310
SCF Energy = -2189.7170311182 (a.u.)
Lowest Frequencies = 10.035086  24.136618  32.537428 (cm^-1)
I / [1-(propene)][BArF4]
C         1.7080059972       10.1267529185        8.0952608250
C         0.4743543766       11.0075801360        7.8125354484
C        -0.3249509755       11.2435023878        9.1050970361
C         0.5533748718       11.8899071995       10.1857408461
C         1.8112929071       11.0509591107       10.4548048958
C         2.6109457235       10.7604167592        9.1695823563
C         4.0215731535        8.5971726875        7.0656089420
C         4.8653782323        8.1267185992        5.8635668660
C         6.0021430526        7.1867564228        6.2988796166
C         5.4649464248        5.9922397808        7.0915891135
C         4.6756824514        6.4718342281        8.3130120234
C         3.5291688561        7.4067595556        7.9067822157
C         3.3553803410       11.2065273896        5.8622586761
C         3.5540555209       11.1254171185        4.3396162160
C         2.7802512212        9.4135280739        2.0031063926
C         3.5373086791       10.3820912315        1.0778754256
C         3.9112651853        9.6922282283       -0.2478685019
C         4.6980169151        8.3927493623       -0.0262708687
C         3.9683555483        7.4496129291        0.9399329186
C         3.6220957482        8.1486341591        2.2657347199
C         0.9261033796       11.4670320606        2.9838198085
C        -0.3404727084       10.7601667537        2.4615349170
C        -1.3705299152       11.7664770891        1.9320886403
C        -1.7340370852       12.7959664731        3.0083375657
C        -0.4804947616       13.5043855066        3.5353276503
C         0.5606072508       12.5009108202        4.0669776521
Rh        1.2724040093        8.6598180023        5.0229516909
P         2.1454093702       10.1921773049        3.5673902690
P         2.5810646912        9.6454342843        6.5288680808
C        -0.0500177703        7.5952314710        6.5115482113
C         0.4088582076        6.7569002061        5.5001673781
C        -0.1134437075        6.8910159317        4.1041398802
H         1.3391982100        9.1643487346        8.4832424931
H         0.7953227465       11.9802843341        7.4091684710
H        -0.1549787097       10.5372474840        7.0420737494
H        -0.7167173307       10.2815568907        9.4695260514
H        -1.2006781675       11.8725714967        8.8910071527
H        -0.0189345572       12.0175877661       11.1166315522
H         0.8456977962       12.8992786652        9.8611140211
H         2.4654341242       11.5686577206       11.1725160381
H         1.5179457455       10.0978782863       10.9211021670
H         3.4596199797       10.1045297956        9.4061652025
H         3.0329854853       11.6966964028        8.7864884045
H         4.6444996305        9.2499975086        7.7006579539
H         5.2876799430        8.9894843614        5.3295042340
H         4.2041799309        7.6053750398        5.1543021198
H         6.7226152445        7.7399412012        6.9164912452
H         6.5518804949        6.8526934561        5.4058105933
H         6.2851230652        5.3335381922        7.4079724377
H         4.8152971760        5.3843942439        6.4461344066
H         4.2673899353        5.6190154552        8.8745928602
H         5.3520293457        7.0025591446        8.9991295175
H         3.0143093645        7.7666422629        8.8047161461
H         2.7880248049        6.8392657556        7.3234117502
H         4.3008128598       11.4061328660        6.3867923502
H         2.6680358165       12.0250229588        6.1162261286
H         4.4699266935       10.5711391423        4.0929629597
H         3.6509252403       12.1236457906        3.8889634129
H         1.8547363984        9.0951489817        1.4927068901
H         4.4531367594       10.7215579377        1.5808306064
H         2.9420553162       11.2798103764        0.8710649583
H         4.4937602387       10.3918224830       -0.8655829628
H         2.9888374221        9.4648651521       -0.8048186818
H         5.6926208433        8.6301104160        0.3761433636
H         4.8676023032        7.8872912157       -0.9888379701
H         4.5786357566        6.5579445755        1.1380740674
H         3.0385957143        7.0888363365        0.4752074283
H         4.5507687023        8.4266070962        2.7869131758
H         3.0826844465        7.4621651415        2.9362049286
H         1.4085821935       12.0003312789        2.1477230209
H        -0.7835302116       10.1833725940        3.2901816385
H        -0.0869703741       10.0386143638        1.6759047096
H        -2.2643114473       11.2301112376        1.5856257035
H        -0.9592176602       12.2827545105        1.0510222437
H        -2.2508016015       12.2923099131        3.8383025516
H        -2.4462799376       13.5261802061        2.5993895727
H        -0.7375993083       14.2174180618        4.3321315909
H        -0.0304994331       14.0990243712        2.7275653110
H         1.4563734759       13.0439261157        4.4019229784
H         0.1550219248       11.9748114710        4.9452839611
H         1.1276873461        5.9650571831        5.7119127928
H         0.3017205017        7.4481930862        7.5297490465
H        -0.9715307434        8.1681028048        6.4056803518
H         0.1636974798        6.0506377658        3.4604042258
H        -1.1914560827        7.0862829339        4.0484371972
H         0.3653421672        7.7922035020        3.5389927834
C         9.2888792089        2.2129637768       11.7707133758
C        10.5227727198        1.3318109386       12.0515182144
C        11.3204786815        1.0957441814       10.7580003361
C        10.4411390850        0.4495591070        9.6781147320
C         9.1828856097        1.2885656808        9.4107893143
C         8.3847384267        1.5798853455       10.6968534030
C         6.9811446838        3.7484702717       12.8018271009
C         6.1305113749        4.2136021740       14.0006666575
C         4.9924098958        5.1497598300       13.5603961214
C         5.5295697651        6.3478323492       12.7729650250
C         6.3300676660        5.8746944174       11.5563714832
C         7.4767611839        4.9425105699       11.9684784057
C         7.6300358200        1.1348653731       13.9962759685
C         7.4325099616        1.2070058680       15.5196800906
C         8.2051805487        2.9220684265       17.8580682182
C         7.4689348572        1.9565266620       18.8025340677
C         7.0909174050        2.6603311581       20.1197848254
C         6.2882695760        3.9476546423       19.8848116763
C         7.0021025468        4.8858672527       18.9021917684
C         7.3471646843        4.1731674458       17.5832127503
C        10.0346308279        0.8314163606       16.8921548314
C        11.2575812447        1.5053567847       17.5444146173
C        12.2766431834        0.4729432108       18.0459002274
C        12.7134095111       -0.4644372109       16.9145231274
C        11.4991088760       -1.1511773345       16.2793841521
C        10.4722676075       -0.1251338641       15.7649129013
Rh        9.7344639696        3.6578094817       14.8521490464
P         8.8434161825        2.1298291577       16.3020709013
P         8.4164704405        2.6931138436       13.3385156299
C        11.0446881708        4.7417438092       13.3640920984
C        10.6014353826        5.5635324465       14.3958200484
C        11.1390042006        5.4002897757       15.7827051049
H         9.6576586722        3.1755593677       11.3830645828
H        10.2028907887        0.3594406037       12.4564547981
H        11.1534429937        1.8026281583       12.8205099603
H        11.7118790144        2.0577326524       10.3932622094
H        12.1964392074        0.4666774380       10.9711831721
H        11.0124984868        0.3222745847        8.7464571718
H        10.1494097235       -0.5600766611       10.0025671799
H         8.5276106649        0.7708573299        8.6941010453
H         9.4757409549        2.2413683081        8.9438385989
H         7.5364723864        2.2364989324       10.4606067539
H         7.9620674764        0.6438805553       11.0802707996
H         6.3610999904        3.0990607739       12.1604052009
H         5.7087471627        3.3487844604       14.5317478621
H         6.7862134140        4.7365918275       14.7135093586
H         4.2776599517        4.5944136939       12.9379964284
H         4.4361741284        5.4804142136       14.4507275510
H         4.7086939703        7.0032899501       12.4516840709
H         6.1716329420        6.9575858423       13.4240992666
H         6.7392352293        6.7306906209       11.0002861637
H         5.6611329599        5.3433954354       10.8634637908
H         7.9985425860        4.5865377837       11.0732591928
H         8.2120326687        5.5104032577       12.5589415522
H         6.6826069575        0.9471106496       13.4709519795
H         8.3097893502        0.3122981283       13.7354258623
H         6.5170289464        1.7602808083       15.7699302106
H         7.3348923948        0.2056634841       15.9632418186
H         9.1290408036        3.2616659386       18.3572163125
H         6.5568748776        1.5923795755       18.3098827814
H         8.0816107480        1.0733043984       19.0203117420
H         6.5186272894        1.9621805570       20.7486599460
H         8.0124230557        2.9054764231       20.6706373406
H         5.2944145999        3.6939794968       19.4906896613
H         6.1180219631        4.4639421588       20.8414990101
H         6.3807461971        5.7679813777       18.6962269614
H         7.9307349413        5.2631709065       19.3562198247
H         6.4180601555        3.8787883602       17.0720391279
H         7.8759571299        4.8560827981       16.9006937504
H         9.5009860459        0.2425089154       17.6567590216
H        11.7379834462        2.1594946372       16.7983192121
H        10.9455107246        2.1497725198       18.3745111544
H        13.1418282776        0.9923651598       18.4797515142
H        11.8285745877       -0.1170421749       18.8602392463
H        13.2571363173        0.1087023618       16.1493993953
H        13.4214281658       -1.2104839886       17.3015269813
H        11.8040205761       -1.8059119037       15.4499649108
H        11.0199941297       -1.8032371452       17.0232032536
H         9.6021193410       -0.6533058652       15.3483553501
H        10.9135182594        0.4635136074       14.9453308657
H         9.8839688636        6.3624490940       14.2069410353
H        10.6813806685        4.9083883403       12.3529544193
H        11.9646267721        4.1629194191       13.4489911046
H        10.8774877348        6.2312466579       16.4450368855
H        12.2155348649        5.1936346710       15.8217295975
H        10.6578398245        4.4934285173       16.3385102767
C         7.3010880679        2.9511195178        5.1696960127
C         6.8244677251        2.5771902859        6.4399136894
C         5.4581003361        2.4637074993        6.7170193489
C         4.4996825167        2.7246281722        5.7366516609
C         4.9458207260        3.1101624540        4.4720624476
C         6.3183209740        3.2106851199        4.1932369743
C         5.0401017501        2.0735756135        8.1011946215
C         3.9539257545        3.4562400585        3.3949798423
C         9.3574132862        3.9216611441        3.6366716912
C         8.7458796358        5.1727226330        3.4379951302
C         9.1894839678        6.0709403618        2.4546885011
C        10.2674618225        5.7484852918        1.6311309485
C        10.9121181512        4.5222015665        1.8357492310
C        10.4721709995        3.6364911594        2.8225511635
C         8.5273490167        7.4168645744        2.3409067816
C        12.1192044871        4.2002095461        1.0052096784
C         9.1311631327        1.3275752388        4.4378731798
C         8.9146846344        0.8651996768        3.1271789003
C         8.9884366418       -0.4923273242        2.7932523201
C         9.2777577052       -1.4532839857        3.7723085198
C         9.4849146431       -1.0164586982        5.0880848745
C         9.4099416028        0.3460898098        5.4067789797
C         8.8238484030       -0.8763084619        1.3443790707
C         9.8628732190       -1.9838977490        6.1833212661
C         9.8410831490        3.3792170438        6.1005644150
C        11.1345748530        2.8792065460        6.3441963512
C        11.9492739829        3.3912314311        7.3702576248
C        11.4991462041        4.4229237757        8.1882036108
C        10.2243544133        4.9446425703        7.9483435660
C         9.4183074594        4.4403459577        6.9270754978
C        13.3481078926        2.8692413532        7.5437610497
C         9.7596849702        6.0630557949        8.8249041828
B         8.9093332093        2.8997789794        4.8356579418
H         7.5374042437        2.3653669252        7.2362950959
H         3.4407188895        2.6543901196        5.9589149199
H         6.6234426742        3.5008695614        3.1880483334
H         7.8973391340        5.4581393129        4.0592155367
H        10.5983209854        6.4346051836        0.8585588606
H        11.0037650267        2.6955252688        2.9546594456
H         8.6790563392        1.5810805396        2.3406842726
H         9.3515911851       -2.5059853815        3.5176861082
H         9.5701158919        0.6460821526        6.4418876541
H        11.5257614859        2.0751045158        5.7202707569
H        12.1249913163        4.8139920070        8.9845001450
H         8.4356597082        4.8811985090        6.7697742385
F         9.8775602291        5.7339977531       10.1589103163
F        10.5110560792        7.2008803641        8.6779599134
F         8.4648339721        6.4132921302        8.6087332573
F        14.0905169792        3.1229579882        6.4027526346
F        14.0140968355        3.4255879034        8.5998615686
F        13.4046970147        1.5156042530        7.7240261131
F         9.1897803137       -1.7349965365        7.3564380169
F        11.2113773847       -1.9274427217        6.4757280320
F         9.6056854937       -3.2827490846        5.8770530134
F         8.6365230569       -2.2230053240        1.1755429810
F         9.9257554917       -0.5158233153        0.5911046086
F         7.7622156831       -0.2368310767        0.7414677311
F        12.4217015435        2.8777396757        0.9551011705
F        13.2592354776        4.8111661256        1.4717382797
F        11.9540761765        4.6310175626       -0.2958707068
F         8.8157343758        8.0786100623        1.1813728890
F         8.9061304711        8.2433256718        3.3832297689
F         7.1652544223        7.3381251431        2.4269975527
F         3.9898312968        2.5724957979        2.3478099653
F         4.2186053370        4.6983700697        2.8680736466
F         2.6538350625        3.4701039731        3.8276134755
F         5.4630481143        2.9844637773        9.0476008643
F         3.6884460318        1.9402361033        8.2413095513
F         5.5917402954        0.8659643999        8.4641626910
C         3.6899689192        9.3839997244       14.6975988500
C         4.1655018177        9.7588643261       13.4268892784
C         5.5316874634        9.8713334347       13.1479079738
C         6.4907566810        9.6099159698       14.1276509313
C         6.0452751362        9.2243569953       15.3923889487
C         4.6732719138        9.1237332314       15.6727502195
C         5.9495780820       10.2606671148       11.7630812834
C         7.0367042600        8.8777186609       16.4689996874
C         1.6319934093        8.4183604821       16.2358852856
C         2.2395385898        7.1649068106       16.4312363257
C         1.7963310734        6.2665210114       17.4143697611
C         0.7208013416        6.5939385276       18.2408279398
C         0.0794821628        7.8246746412       18.0411962479
C         0.5206933257        8.7091263154       17.0540530469
C         2.4600258064        4.9187581862       17.5244737513
C        -1.1287619859        8.1415063673       18.8765011414
C         1.8576427442       11.0068519875       15.4256377396
C         2.0773363560       11.4700659557       16.7356718590
C         2.0022581935       12.8271693718       17.0701517297
C         1.7124290493       13.7879332740       16.0910035358
C         1.5031881998       13.3504609294       14.7757974365
C         1.5752751962       11.9875685469       14.4572609092
C         2.1662405803       13.2106090656       18.5192495349
C         1.1265347797       14.3179884380       13.6804537145
C         1.1542273761        8.9446666429       13.7690635775
C        -0.1422381383        9.4359175747       13.5295721970
C        -0.9560988110        8.9190252212       12.5057684017
C        -0.5057480137        7.8927900142       11.6848674598
C         0.7725635338        7.3807733438       11.9201767306
C         1.5806004162        7.8877669792       12.9386471233
C        -2.3440039353        9.4565097624       12.3237668289
C         1.2339485830        6.2678894356       11.0390866690
B         2.0820478814        9.4339241896       15.0322078089
H         3.4516889849        9.9718022596       12.6315743370
H         7.5496542378        9.6791134781       13.9046373387
H         4.3691075355        8.8327909244       16.6780216640
H         3.0847936233        6.8778013398       15.8062658267
H         0.3884441272        5.9073747258       19.0125684475
H        -0.0070720215        9.6528002258       16.9242407391
H         2.3164956824       10.7548163052       17.5215993117
H         1.6394001468       14.8408156560       16.3452140922
H         1.4113790127       11.6871386265       13.4228143123
H        -0.5356971823       10.2392441332       14.1528337395
H        -1.1315136505        7.5013499257       10.8887078001
H         2.5669229144        7.4531195809       13.0897103421
F         1.1128661353        6.5998041595        9.7055206132
F         0.4794993671        5.1318341202       11.1856958902
F         2.5277896865        5.9191294755       11.2544047297
F        -3.0995629949        9.2139954345       13.4594936239
F        -3.0209920024        8.9111923316       11.2669059041
F        -2.3483733234       10.8136610856       12.1402745521
F         1.8002231540       14.0689341260       12.5075638733
F        -0.2216363460       14.2614904613       13.3879830195
F         1.3842047204       15.6168470877       13.9866695042
F         2.3535523165       14.5570749674       18.6883395369
F         1.0642414825       12.8497634363       19.2726215956
F         3.2277570795       12.5707899793       19.1223314226
F        -1.4329811672        9.4617171371       18.9734555155
F        -2.2655247166        7.5283589333       18.3934639190
F        -0.9637091054        7.6965239724       20.1673424123
F         2.1738464875        4.2552886478       18.6829271441
F         2.0832653172        4.0915298784       16.4810408934
F         3.8226640009        4.9963630978       17.4369493726
F         7.0003307822        9.7614978415       17.5162194172
F         6.7715172317        7.6356082253       16.9957054781
F         8.3366115992        8.8638242289       16.0363135945
F         5.5269538727        9.3495514327       10.8165516021
F         7.3015071317       10.3937128782       11.6226788577
F         5.3982617057       11.4680978110       11.3996786097
310
SCF Energy = -2189.6969117999 (a.u.)
Lowest Frequencies = i519.933431  18.369283  27.184378 (cm^-1)
TS(I-II) / [1-(propene)][BArF4]
C         1.7007434632       10.0428654314        8.1489904939
C         0.4350217314       10.8723377797        7.8447097893
C        -0.3568104594       11.1507323806        9.1339628415
C         0.5151890475       11.8617334649       10.1789275754
C         1.7898052529       11.0582759752       10.4754635847
C         2.5873604399       10.7402505241        9.1966947499
C         4.0730017106        8.5779244288        7.1106259262
C         4.8490678885        8.0766718170        5.8737321890
C         6.0096712566        7.1431703048        6.2554710701
C         5.5216083301        5.9744425358        7.1138460445
C         4.8315040445        6.4962614034        8.3762031220
C         3.6551124401        7.4149083106        8.0251176997
C         3.3228831663       11.1427300790        5.9011269485
C         3.4876293343       11.0587370016        4.3758707459
C         2.7013644707        9.3838683014        2.0279793470
C         3.4386337615       10.3601440092        1.0928035499
C         3.8395822560        9.6636555788       -0.2218094251
C         4.6496631056        8.3824888159        0.0192449443
C         3.9275214817        7.4339629926        0.9854599222
C         3.5626661303        8.1357579356        2.3049516274
C         0.9398710905       11.5404162733        2.9923213699
C        -0.2199951743       10.9824243055        2.1483744805
C        -1.2082274328       12.0740182134        1.7145294725
C        -1.7287194391       12.8603562261        2.9215069610
C        -0.5605312057       13.4741022538        3.6983851009
C         0.4253785848       12.3916762325        4.1717554131
Rh        1.1672763724        8.6237020063        4.9903219321
P         2.0555297948       10.1741220159        3.5811409409
P         2.5879355396        9.5760474885        6.5882711451
C         0.3716607816        6.9343027673        6.3282072149
C         0.4282745545        6.5758919565        4.9759124906
C        -0.3119320000        7.3301769402        3.9980309591
H         1.3691802477        9.0717157668        8.5522226652
H         0.7196419575       11.8327957447        7.3881647619
H        -0.1906484444       10.3463097578        7.1065801879
H        -0.7262249862       10.1990176431        9.5447205979
H        -1.2468047664       11.7521995574        8.8986268371
H        -0.0545015729       12.0197191544       11.1067207416
H         0.7874097337       12.8612321516        9.8088889420
H         2.4362362357       11.6141708767       11.1712425970
H         1.5165721500       10.1171333570       10.9766335637
H         3.4587328618       10.1202860675        9.4475373780
H         2.9781573590       11.6750182735        8.7761257973
H         4.7188004080        9.2660011881        7.6809856892
H         5.2387381493        8.9272877367        5.2971303042
H         4.1514412725        7.5399812388        5.2115537908
H         6.7718121181        7.7074194716        6.8091320128
H         6.4944502062        6.7840846047        5.3351010452
H         6.3548823061        5.3128494602        7.3849212075
H         4.8186714124        5.3590060544        6.5347302113
H         4.4647035997        5.6629252456        8.9924369463
H         5.5587099984        7.0459810506        8.9911388563
H         3.1954161031        7.7995474195        8.9434102388
H         2.8861997559        6.8190275487        7.5146641106
H         4.2802240921       11.3577707208        6.3969875047
H         2.6345486926       11.9553903513        6.1700156743
H         4.3906628952       10.4916127202        4.1118522217
H         3.5948417196       12.0573024650        3.9273128985
H         1.7805496629        9.0405625224        1.5270729930
H         4.3420805039       10.7347408830        1.5948375424
H         2.8182189758       11.2367640112        0.8682676621
H         4.4143460674       10.3693957831       -0.8399179559
H         2.9276751298        9.4134869861       -0.7856330770
H         5.6348283407        8.6424265986        0.4310412253
H         4.8398199523        7.8728939923       -0.9373821087
H         4.5502660986        6.5533468270        1.1930074776
H         3.0065176495        7.0559493405        0.5170536212
H         4.4848749954        8.4290865160        2.8290283260
H         3.0245933216        7.4477909063        2.9741081476
H         1.5629864596       12.1824761733        2.3481845623
H        -0.7708280258       10.2305560730        2.7386131764
H         0.1677168054       10.4596381543        1.2661138491
H        -2.0371588654       11.6113937788        1.1621758370
H        -0.7113507399       12.7630376257        1.0157252191
H        -2.3059888182       12.1959700761        3.5808987708
H        -2.4255533054       13.6397439381        2.5849326197
H        -0.9145797434       14.0451541016        4.5685922104
H        -0.0356001482       14.1919340172        3.0535070427
H         1.2687820617       12.8662024387        4.6943605326
H        -0.0717573681       11.7331795753        4.9016687845
H         1.1610452820        5.8373643734        4.6447766388
H         0.9855980426        6.4070274403        7.0531724126
H        -0.4860448598        7.4727455199        6.7347717480
H        -0.1698003814        7.0797976897        2.9473943591
H        -1.3311738029        7.6368173369        4.2454965929
H         0.0249889403        9.1003904392        4.0312262802
C         9.2705489401        2.2123931667       11.7824011986
C        10.5022930437        1.3262716148       12.0570759943
C        11.2949246772        1.0909633689       10.7603764584
C        10.4102330480        0.4484019359        9.6828500683
C         9.1527028104        1.2905243179        9.4214314526
C         8.3602156610        1.5847665850       10.7106893927
C         6.9719826541        3.7522526758       12.8304249004
C         6.1168491067        4.1937965773       14.0350185464
C         4.9829083026        5.1419622172       13.6115410313
C         5.5278420722        6.3554903830       12.8548787459
C         6.3301009603        5.9067119855       11.6307144547
C         7.4727350505        4.9621889235       12.0231673718
C         7.6242296004        1.1370249539       14.0211040307
C         7.4305385679        1.2176248050       15.5446993910
C         8.2135661585        2.9334765614       17.8770383673
C         7.4675920240        1.9679922509       18.8141701841
C         7.0911032735        2.6670188910       20.1343546812
C         6.2947625047        3.9590345776       19.9036765362
C         7.0175142450        4.8990572408       18.9293943939
C         7.3640065721        4.1918614298       17.6080236442
C        10.0516805958        0.8593256927       16.8965291497
C        11.3080479918        1.5535427047       17.4578387962
C        12.3350537382        0.5357461661       17.9700719619
C        12.7169199075       -0.4612291631       16.8701041357
C        11.4724742134       -1.1607378873       16.3110279690
C        10.4341946834       -0.1473851931       15.7935055705
Rh        9.7291506658        3.6678327600       14.8579289084
P         8.8438777160        2.1452822690       16.3154756707
P         8.4077574629        2.6934133826       13.3551824008
C        11.0516582945        4.7263255282       13.3627046923
C        10.6103153632        5.5635957752       14.3825395885
C        11.1406702456        5.4151205555       15.7738074777
H         9.6409449835        3.1744329295       11.3949492283
H        10.1797933494        0.3537699445       12.4597914769
H        11.1368640584        1.7924464924       12.8256825376
H        11.6866338763        2.0528592651       10.3957308707
H        12.1704004936        0.4597112137       10.9688644878
H        10.9782278320        0.3214073804        8.7490352202
H        10.1175858204       -0.5611086170       10.0067780050
H         8.4930147926        0.7743659469        8.7077032818
H         9.4460133716        2.2425386921        8.9530313752
H         7.5149510589        2.2462779391       10.4774619576
H         7.9335679727        0.6509732947       11.0947563910
H         6.3548522032        3.1148618035       12.1744223831
H         5.6908883858        3.3187590931       14.5453663685
H         6.7705382069        4.7007406323       14.7611534677
H         4.2696424932        4.6034828331       12.9729149241
H         4.4236467580        5.4528881874       14.5069366799
H         4.7111430657        7.0217297840       12.5454804144
H         6.1698159003        6.9470491926       13.5224193384
H         6.7416627550        6.7730303003       11.0929538984
H         5.6603740787        5.3918799003       10.9268590434
H         7.9949453691        4.6237689560       11.1211452479
H         8.2089537988        5.5140989396       12.6272669862
H         6.6754317094        0.9464277575       13.4991719888
H         8.3038056136        0.3133355211       13.7634267992
H         6.5165543871        1.7733508786       15.7946462758
H         7.3331455854        0.2191974526       15.9947479439
H         9.1399252851        3.2617170069       18.3794187075
H         6.5536656429        1.6142335338       18.3174790273
H         8.0725726580        1.0785450358       19.0281336661
H         6.5146354195        1.9682803729       20.7587392838
H         8.0126248385        2.9056016568       20.6879677406
H         5.3013100448        3.7118533740       19.5041119221
H         6.1232154592        4.4709980153       20.8624153213
H         6.4021348977        5.7860590387       18.7259494962
H         7.9462881752        5.2681224600       19.3895098436
H         6.4349291528        3.9053911042       17.0923400217
H         7.8982688135        4.8761251108       16.9311697292
H         9.5538336630        0.3066179960       17.7106731303
H        11.7607022499        2.1582537223       16.6547544168
H        11.0404143523        2.2480580695       18.2627699725
H        13.2219133534        1.0649926416       18.3440772538
H        11.9138889197       -0.0075091233       18.8295689826
H        13.2403259052        0.0670120314       16.0598222939
H        13.4283284675       -1.1988013271       17.2672821008
H        11.7404947518       -1.8522717340       15.4989818707
H        11.0159899194       -1.7769883150       17.0985899804
H         9.5440026880       -0.6845685078       15.4350383097
H        10.8475026294        0.4017350452       14.9330092849
H         9.8982930191        6.3642994122       14.1810923951
H        10.6924910845        4.8832495360       12.3485096409
H        11.9678479423        4.1431003650       13.4572988927
H        10.8845729076        6.2583753566       16.4226129536
H        12.2149378322        5.1987916313       15.8204833344
H        10.6472434889        4.5222655312       16.3404699262
C         7.3003183971        2.9492778070        5.1699744791
C         6.8233653672        2.5743142955        6.4397025272
C         5.4570379610        2.4616086695        6.7169548810
C         4.4983092475        2.7236424980        5.7370947583
C         4.9451714911        3.1097378913        4.4728579264
C         6.3175932187        3.2101290287        4.1939574805
C         5.0396650607        2.0725465309        8.1015015547
C         3.9546805149        3.4560007340        3.3952851810
C         9.3559264320        3.9217669423        3.6374097571
C         8.7435928958        5.1720005801        3.4379919420
C         9.1881292595        6.0702395246        2.4554057419
C        10.2667758115        5.7479443201        1.6329097664
C        10.9134499140        4.5232915362        1.8389509193
C        10.4725691186        3.6382974372        2.8258198902
C         8.5270162598        7.4157703877        2.3407096361
C        12.1211808915        4.2022710417        1.0086301299
C         9.1306142776        1.3270338425        4.4377905097
C         8.9133885045        0.8644158267        3.1272653855
C         8.9858549684       -0.4932453745        2.7936768247
C         9.2739868370       -1.4544408013        3.7729991962
C         9.4843958390       -1.0170211308        5.0880821760
C         9.4106203570        0.3456805307        5.4064265052
C         8.8224909526       -0.8773406951        1.3448642825
C         9.8633537309       -1.9837711657        6.1834628327
C         9.8392157951        3.3779523169        6.1016887657
C        11.1317059949        2.8765559867        6.3469766373
C        11.9468711998        3.3870951073        7.3730188379
C        11.4956143572        4.4167306485        8.1929804331
C        10.2227510787        4.9419893349        7.9502517010
C         9.4180547496        4.4406766994        6.9264093397
C        13.3473977766        2.8680464737        7.5433600194
C         9.7595008917        6.0616805753        8.8253739507
B         8.9084808539        2.8992807911        4.8358735891
H         7.5360617636        2.3619385097        7.2360675602
H         3.4391958489        2.6545041792        5.9594792383
H         6.6228340563        3.5011552471        3.1891257030
H         7.8941662452        5.4568441775        4.0580863723
H        10.5948533849        6.4325196990        0.8578461074
H        11.0049997741        2.6984630144        2.9604891178
H         8.6781123392        1.5804528414        2.3408557283
H         9.3450524386       -2.5075073498        3.5188808027
H         9.5712750534        0.6455160864        6.4415421463
H        11.5212918131        2.0722838479        5.7226509241
H        12.1192876246        4.8049762649        8.9923602533
H         8.4378265159        4.8852904308        6.7654849844
F         9.8774027452        5.7340795046       10.1592974072
F        10.5120663626        7.2005484276        8.6770515517
F         8.4651556534        6.4134207247        8.6088635514
F        14.0897717636        3.1228967413        6.4033080193
F        14.0138267168        3.4255519286        8.5996636270
F        13.4048798028        1.5143469821        7.7242278568
F         9.1896007615       -1.7350511593        7.3565527829
F        11.2110030227       -1.9272506521        6.4757065357
F         9.6055343343       -3.2828199926        5.8770612957
F         8.6359018149       -2.2235157393        1.1755019459
F         9.9252975205       -0.5161108593        0.5914909644
F         7.7616833281       -0.2371235136        0.7413970027
F        12.4219569658        2.8786953192        0.9552152479
F        13.2591800409        4.8125425268        1.4729321415
F        11.9539737703        4.6314035377       -0.2951265729
F         8.8156802580        8.0783600016        1.1816267579
F         8.9056845242        8.2434698261        3.3832387858
F         7.1645486476        7.3382833004        2.4269694979
F         3.9896194657        2.5724623021        2.3479759659
F         4.2185647931        4.6982062818        2.8683352935
F         2.6536253537        3.4703755198        3.8277258855
F         5.4629739991        2.9842434833        9.0474069818
F         3.6881399093        1.9400271477        8.2414979465
F         5.5913468290        0.8651983645        8.4643687279
C         3.6904844781        9.3864723368       14.6989660474
C         4.1657761123        9.7620072133       13.4283381695
C         5.5320032398        9.8730748067       13.1487049150
C         6.4912299869        9.6113053107       14.1281837978
C         6.0458497794        9.2263914792       15.3931317171
C         4.6739611693        9.1263010157       15.6739467622
C         5.9497438677       10.2611902720       11.7635110272
C         7.0370602057        8.8782483793       16.4693520010
C         1.6329504766        8.4198490849       16.2380803854
C         2.2408994720        7.1665465664       16.4334887924
C         1.7970134205        6.2671553774       17.4154277533
C         0.7209333372        6.5937844245       18.2414540932
C         0.0796430530        7.8245506800       18.0422617341
C         0.5212061882        8.7099542569       17.0560421276
C         2.4602142562        4.9189636420       17.5247315224
C        -1.1288570006        8.1403319379       18.8775601706
C         1.8585338613       11.0077737217       15.4263578988
C         2.0785223411       11.4710295865       16.7361967976
C         2.0037680210       12.8281720981       17.0703001580
C         1.7140880473       13.7890306640       16.0911693385
C         1.5045132455       13.3512943153       14.7760751527
C         1.5765225675       11.9883754817       14.4578650976
C         2.1675166403       13.2110445581       18.5193174068
C         1.1268891023       14.3182220706       13.6805534568
C         1.1542706407        8.9446688363       13.7706828240
C        -0.1424701951        9.4357918775       13.5319326322
C        -0.9559577108        8.9191573091       12.5075114450
C        -0.5051618959        7.8937237535       11.6858868500
C         0.7732358583        7.3816633746       11.9200928786
C         1.5808399022        7.8883536424       12.9394012038
C        -2.3437376606        9.4567087425       12.3243882506
C         1.2342185590        6.2689183443       11.0375021822
B         2.0825113432        9.4348721484       15.0336233088
H         3.4518687590        9.9761743193       12.6333687506
H         7.5501024969        9.6795247023       13.9047555016
H         4.3702363024        8.8353747559       16.6794486403
H         3.0868843461        6.8805254465       15.8091156679
H         0.3880020332        5.9066100562       19.0124599070
H        -0.0062990494        9.6538771018       16.9271045633
H         2.3174561165       10.7558908139       17.5223539955
H         1.6417822968       14.8420116993       16.3452483700
H         1.4123717782       11.6877605934       13.4235698909
H        -0.5361146424       10.2387713641       14.1556620611
H        -1.1306694901        7.5031420449       10.8890924674
H         2.5672539262        7.4539235468       13.0903819090
F         1.1130853143        6.6004214665        9.7047742798
F         0.4796259622        5.1324767241       11.1855540165
F         2.5281931293        5.9192230219       11.2543915162
F        -3.0996795836        9.2140621426       13.4597682935
F        -3.0206860698        8.9113028783       11.2673593906
F        -2.3483756075       10.8137125683       12.1404490713
F         1.8002053121       14.0689784597       12.5075026699
F        -0.2214496285       14.2614470830       13.3880913123
F         1.3841960552       15.6169613951       13.9867136432
F         2.3538898060       14.5574641611       18.6885146270
F         1.0648223606       12.8499391440       19.2723295901
F         3.2280335124       12.5705126259       19.1228184728
F        -1.4331961349        9.4613997158       18.9725176026
F        -2.2654658760        7.5282146173       18.3936509526
F        -0.9636430563        7.6974149415       20.1683256858
F         2.1739136392        4.2553164360       18.6829731315
F         2.0833027015        4.0917387162       16.4812212755
F         3.8229253595        4.9964200693       17.4370488728
F         7.0004181071        9.7615645285       17.5165463533
F         6.7714087428        7.6357710011       16.9956718950
F         8.3367141284        8.8638466438       16.0363835133
F         5.5269698444        9.3496134118       10.8168208874
F         7.3015519840       10.3937132238       11.6226587415
F         5.3982469364       11.4681105160       11.3996202793
310
SCF Energy = -2189.7092624658 (a.u.)
Lowest Frequencies = 21.726967  25.063431  29.761986 (cm^-1)
II (eta3) / [1-(propene)][BArF4]
C         1.6899240816       10.0480441613        8.1582218982
C         0.4145911723       10.8684779584        7.8740686343
C        -0.3637793539       11.1389222874        9.1730776488
C         0.5139114984       11.8562354993       10.2079635562
C         1.7968984582       11.0612585884       10.4873987833
C         2.5805555466       10.7539967461        9.1980933421
C         4.0738225542        8.5991534126        7.1211335692
C         4.8280458077        8.0880467165        5.8731071482
C         5.9780995285        7.1358105163        6.2374169275
C         5.4806414342        5.9712194917        7.0960915110
C         4.8070981810        6.4946388077        8.3668873209
C         3.6446907785        7.4386804233        8.0366274067
C         3.2689781597       11.1601640046        5.8835099840
C         3.4611671732       11.0670784168        4.3560661569
C         2.7453346206        9.4013208730        1.9766915939
C         3.5381077742       10.3749985573        1.0894538627
C         3.9339992857        9.7005232657       -0.2377357089
C         4.7041995349        8.3912528513       -0.0147551020
C         3.9430442470        7.4386903037        0.9176332183
C         3.5653633030        8.1222282070        2.2436050883
C         0.8716741139       11.4365808297        2.9797416002
C        -0.3910880841       10.7791681080        2.3958227743
C        -1.3753180294       11.8261079495        1.8610197481
C        -1.7518433180       12.8311672363        2.9553344724
C        -0.5006751268       13.4936157502        3.5430654382
C         0.4988953799       12.4509149600        4.0794769283
Rh        1.3434659271        8.5278708101        4.9918198114
P         2.0687420157       10.1367420951        3.5410857019
P         2.5826856064        9.5823474968        6.6019011547
C         0.2424686924        6.9373918853        6.1716853580
C         0.3388044308        6.5886409275        4.8042950430
C        -0.1693288035        7.3966577994        3.7582817517
H         1.3704043204        9.0731097121        8.5622574092
H         0.6815468153       11.8306568671        7.4105075196
H        -0.2273554154       10.3356891826        7.1553898925
H        -0.7186711562       10.1829039179        9.5863235259
H        -1.2621148861       11.7317351719        8.9480067260
H        -0.0474449845       12.0084087951       11.1416868021
H         0.7740891539       12.8581410875        9.8357954060
H         2.4477475303       11.6192153151       11.1771516912
H         1.5356805957       10.1164968677       10.9882340048
H         3.4616365518       10.1430741609        9.4367860624
H         2.9557645280       11.6935108997        8.7742788977
H         4.7357341264        9.2789424507        7.6823341669
H         5.2185040923        8.9321966688        5.2879328935
H         4.1187216371        7.5520718726        5.2179219905
H         6.7523036789        7.6900067052        6.7851963034
H         6.4494835254        6.7734289750        5.3114711532
H         6.3082458614        5.2980854109        7.3564626716
H         4.7659151947        5.3670855436        6.5193860383
H         4.4307488793        5.6620179485        8.9784285808
H         5.5486503222        7.0253195542        8.9815225939
H         3.2120652294        7.8312207390        8.9649327887
H         2.8463264346        6.8679422126        7.5391746201
H         4.2102872094       11.4244699607        6.3858231875
H         2.5460886713       11.9506337709        6.1282764333
H         4.3845775114       10.5229094118        4.1141294212
H         3.5583975213       12.0670506313        3.9082452388
H         1.8299728200        9.0979767935        1.4402756239
H         4.4462864949       10.6935173855        1.6196375740
H         2.9592231139       11.2840538742        0.8846343241
H         4.5357102441       10.4018576932       -0.8344413450
H         3.0212286539        9.4881445052       -0.8162467611
H         5.6903392298        8.6141973603        0.4155910464
H         4.8936254812        7.8970843612       -0.9794588953
H         4.5416305274        6.5397979092        1.1184867036
H         3.0226992297        7.0932122549        0.4242772341
H         4.4804435370        8.3757742644        2.7999394898
H         2.9919417679        7.4216361690        2.8733060381
H         1.3900856563       11.9854620414        2.1753338147
H        -0.8782513632       10.1909115111        3.1877121490
H        -0.1270769947       10.0699395879        1.6037826528
H        -2.2684392603       11.3216588954        1.4694007309
H        -0.9219814055       12.3582176555        1.0106977360
H        -2.3073863485       12.3159517620        3.7524941907
H        -2.4325364543       13.5900383947        2.5459139571
H        -0.7656569164       14.1919791346        4.3502067895
H        -0.0094384661       14.0971797661        2.7667327151
H         1.3954299780       12.9640671049        4.4561735482
H         0.0512871209       11.9179157855        4.9336274098
H         1.0549229130        5.8038992572        4.5341214368
H         0.7533979243        6.3184210259        6.9064389479
H        -0.6201434367        7.4848566228        6.5511014697
H         0.0527730088        7.1179139157        2.7305074272
H        -1.0880923684        7.9653613237        3.8969172964
H         0.2530750779        9.5190570727        5.3370017073
C         9.2858001155        2.2146658872       11.7794381148
C        10.5226483637        1.3363112556       12.0561567389
C        11.3182884526        1.1051347342       10.7605676586
C        10.4387205586        0.4574283675        9.6817565098
C         9.1767687233        1.2924004468        9.4185823143
C         8.3808532797        1.5806805684       10.7068946123
C         6.9795793494        3.7453798864       12.8235416641
C         6.1205606375        4.1838812600       14.0264089563
C         4.9847679647        5.1290616246       13.6008847166
C         5.5276212432        6.3450102706       12.8463929043
C         6.3329967931        5.8988948668       11.6231396722
C         7.4775395890        4.9570675567       12.0172075629
C         7.6382918405        1.1305803940       14.0121999493
C         7.4413438520        1.2071512532       15.5355596704
C         8.2136118680        2.9248552734       17.8710957765
C         7.4721853013        1.9575973444       18.8098726449
C         7.0918998153        2.6574208322       20.1286094988
C         6.2907008991        3.9460355882       19.8956239327
C         7.0093716165        4.8869582282       18.9192032488
C         7.3581502635        4.1784457643       17.5991900873
C        10.0548218747        0.8499893113       16.8975143203
C        11.2995075755        1.5405787751       17.4882964741
C        12.3232299161        0.5196177273       18.0018152430
C        12.7247166666       -0.4608447353       16.8939770780
C        11.4912414745       -1.1580015431       16.3084325075
C        10.4573586956       -0.1417453258       15.7879952360
Rh        9.7346269612        3.6645826719       14.8582914313
P         8.8503795345        2.1371667677       16.3120189219
P         8.4179344745        2.6906996642       13.3508270219
C        11.0493976921        4.7387202812       13.3668960489
C        10.6022299160        5.5680398390       14.3907068849
C        11.1344596010        5.4165936774       15.7808805883
H         9.6508726233        3.1787424783       11.3919766023
H        10.2058673021        0.3621614384       12.4593920185
H        11.1534859725        1.8069870178       12.8250931038
H        11.7051503723        2.0691237835       10.3962927711
H        12.1971214651        0.4790880106       10.9707075396
H        11.0085424680        0.3342784324        8.7485417036
H        10.1514133376       -0.5537929768       10.0053181713
H         8.5212950394        0.7729421701        8.7033365521
H         9.4653124369        2.2463378928        8.9513005125
H         7.5309207049        2.2360528712       10.4730176872
H         7.9608336776        0.6435751245       11.0904460764
H         6.3660386825        3.1058317625       12.1662638730
H         5.6961168919        3.3073038089       14.5354417559
H         6.7711890268        4.6922468780       14.7542375414
H         4.2749362126        4.5890053591       12.9597941591
H         4.4219554770        5.4372160753       14.4950257608
H         4.7094567792        7.0091266556       12.5361689542
H         6.1669345014        6.9379241132       13.5153969008
H         6.7436061258        6.7664927991       11.0866338788
H         5.6656986788        5.3828345018       10.9177529580
H         8.0019128514        4.6203309761       11.1159039098
H         8.2113129862        5.5111177725       12.6222959155
H         6.6913761990        0.9374001082       13.4878550084
H         8.3215392735        0.3100334205       13.7540625896
H         6.5248032967        1.7589110251       15.7849206713
H         7.3468235295        0.2072355843       15.9829455835
H         9.1376131060        3.2593339824       18.3736130534
H         6.5605291148        1.5976173458       18.3133972597
H         8.0820210924        1.0720662601       19.0260885528
H         6.5176762524        1.9575208811       20.7537289465
H         8.0121045038        2.9006013981       20.6824349035
H         5.2980564671        3.6944423323       19.4969641105
H         6.1181947809        4.4590505611       20.8536720304
H         6.3901249396        5.7706991443       18.7137232940
H         7.9365919496        5.2610195897       19.3785131468
H         6.4301466324        3.8865770800       17.0845572846
H         7.8891975166        4.8634949223       16.9205841286
H         9.5456073496        0.2856451708       17.6965093621
H        11.7625085552        2.1591876469       16.7018957341
H        11.0163699423        2.2216562896       18.2992604997
H        13.2024045080        1.0473653806       18.3954682008
H        11.8916903497       -0.0368351415       18.8480160062
H        13.2564974421        0.0806067545       16.0980300582
H        13.4342132288       -1.2004019661       17.2906753888
H        11.7734221656       -1.8388418618       15.4920743560
H        11.0257582075       -1.7851472250       17.0819604354
H         9.5744391455       -0.6773833370       15.4097238430
H        10.8812452975        0.4193984114       14.9404625542
H         9.8848218816        6.3649054589       14.1931807843
H        10.6892681674        4.8975161947       12.3533341395
H        11.9696286169        4.1615079173       13.4590413359
H        10.8707250840        6.2536286822       16.4345453967
H        12.2107320801        5.2100763166       15.8258366949
H        10.6503314898        4.5155845425       16.3429256606
C         7.3013891632        2.9490353315        5.1696196237
C         6.8243707244        2.5740581944        6.4394221987
C         5.4579503260        2.4611753384        6.7166788058
C         4.4994279522        2.7230108190        5.7365837120
C         4.9460475615        3.1091095265        4.4722151657
C         6.3186328966        3.2098093494        4.1934336298
C         5.0401011110        2.0725331382        8.1012707820
C         3.9545510496        3.4548812429        3.3951976011
C         9.3568873829        3.9211652943        3.6365490906
C         8.7452680726        5.1717297863        3.4380947215
C         9.1899521431        6.0705772321        2.4562881486
C        10.2689710410        5.7487221262        1.6346658556
C        10.9139869423        4.5231928540        1.8389158588
C        10.4729123512        3.6370812968        2.8244594074
C         8.5294026445        7.4161414088        2.3420790148
C        12.1212699323        4.2023710700        1.0091508572
C         9.1312714484        1.3271078101        4.4380007082
C         8.9150103936        0.8647238733        3.1272653523
C         8.9878990469       -0.4927856792        2.7933744868
C         9.2769881869       -1.4541648684        3.7722247851
C         9.4844838610       -1.0170565888        5.0879310872
C         9.4097295557        0.3455280118        5.4067960402
C         8.8235187950       -0.8764076353        1.3445149488
C         9.8626107125       -1.9839118120        6.1830903408
C         9.8405256186        3.3776784287        6.1011176851
C        11.1337378749        2.8774011966        6.3452872194
C        11.9473188020        3.3871316082        7.3730076430
C        11.4953480437        4.4155567788        8.1940653510
C        10.2229869800        4.9414153987        7.9505959339
C         9.4189262086        4.4398581692        6.9264844361
C        13.3473479913        2.8682723794        7.5434767328
C         9.7601135256        6.0619967943        8.8249112034
B         8.9098307093        2.8995935062        4.8353552407
H         7.5374028581        2.3621227457        7.2357290390
H         3.4403898375        2.6535569071        5.9590811526
H         6.6244985203        3.5009952596        3.1887821755
H         7.8967176965        5.4568140895        4.0590881200
H        10.5994186989        6.4347807043        0.8621881157
H        11.0049250491        2.6967620177        2.9577561855
H         8.6809056653        1.5812075092        2.3409333567
H         9.3517236611       -2.5067898681        3.5172804486
H         9.5699643484        0.6455279014        6.4419228974
H        11.5256633769        2.0753845760        5.7192716481
H        12.1189037938        4.8037808609        8.9935660230
H         8.4387586722        4.8844513303        6.7653783431
F         9.8774526362        5.7340620823       10.1592640296
F        10.5119228854        7.2003888388        8.6769493982
F         8.4649363127        6.4134104563        8.6086685460
F        14.0898949636        3.1227872066        6.4031332137
F        14.0138454025        3.4254872713        8.5996101733
F        13.4049757460        1.5140552741        7.7242256479
F         9.1897792337       -1.7350746384        7.3564267904
F        11.2113236002       -1.9273331073        6.4757057938
F         9.6053721580       -3.2830378914        5.8771337401
F         8.6364365397       -2.2231519452        1.1754721388
F         9.9253018700       -0.5157656154        0.5909354863
F         7.7620344798       -0.2370336731        0.7414505029
F        12.4219731338        2.8783449163        0.9552496453
F        13.2597647206        4.8115814146        1.4725651518
F        11.9541089955        4.6313927127       -0.2951363531
F         8.8158320810        8.0784421837        1.1816960176
F         8.9056650151        8.2438476604        3.3832440255
F         7.1650489291        7.3381918977        2.4271093801
F         3.9898139225        2.5726047606        2.3477772477
F         4.2186248564        4.6986045622        2.8683238896
F         2.6538426967        3.4700467083        3.8276115508
F         5.4630964398        2.9842494992        9.0473710909
F         3.6884268236        1.9399805747        8.2413911222
F         5.5916246185        0.8651271223        8.4644610458
C         3.6900829846        9.3848579304       14.6979905689
C         4.1655253300        9.7598652136       13.4273064875
C         5.5317795916        9.8717109114       13.1482015011
C         6.4909389597        9.6102147888       14.1278004240
C         6.0454367769        9.2254490007       15.3927445349
C         4.6734760402        9.1250581283       15.6731896981
C         5.9496617174       10.2609045666       11.7634414879
C         7.0368983415        8.8780526231       16.4691018639
C         1.6331823738        8.4188069289       16.2372296522
C         2.2407994526        7.1654028229       16.4326184207
C         1.7958838450        6.2659672440       17.4139828741
C         0.7187596287        6.5922022520       18.2388965563
C         0.0790848494        7.8239896902       18.0408156077
C         0.5218067106        8.7094461185       17.0553348170
C         2.4598395843        4.9184538701       17.5243455366
C        -1.1292796572        8.1406823876       18.8760858797
C         1.8576248455       11.0067028546       15.4258247804
C         2.0782097212       11.4701669701       16.7356003306
C         2.0028322874       12.8272476546       17.0700140830
C         1.7128545043       13.7879121880       16.0908191565
C         1.5032258967       13.3502141728       14.7757604537
C         1.5745391746       11.9872232572       14.4575250440
C         2.1664602495       13.2106280439       18.5191511129
C         1.1264373526       14.3177696646       13.6805085779
C         1.1537006091        8.9430325137       13.7702802927
C        -0.1432226978        9.4337445180       13.5317754434
C        -0.9565594026        8.9177920531       12.5070553686
C        -0.5056276838        7.8929921787       11.6845704660
C         0.7727386579        7.3809404168       11.9190297516
C         1.5801542346        7.8869504120       12.9386329971
C        -2.3440071049        9.4560981142       12.3242526104
C         1.2339625066        6.2688118847       11.0357634183
B         2.0821625172        9.4336790373       15.0328017913
H         3.4516849806        9.9733429526       12.6321920554
H         7.5498055265        9.6789367334       13.9045625828
H         4.3693168692        8.8344712798       16.6785643286
H         3.0868393566        6.8789510375       15.8084321115
H         0.3836750058        5.9037754137       19.0079481007
H        -0.0053596787        9.6535876956       16.9264893686
H         2.3181321231       10.7551398606       17.5214910036
H         1.6400276307       14.8408442346       16.3448500174
H         1.4093316025       11.6863584564       13.4234851251
H        -0.5372526064       10.2360224963       14.1560787817
H        -1.1305347236        7.5027012593       10.8871453519
H         2.5664585926        7.4522113352       13.0894028428
F         1.1131893139        6.6002976893        9.7042154370
F         0.4794991188        5.1322256226       11.1853743949
F         2.5281986905        5.9192748771       11.2541445135
F        -3.0997746323        9.2140240809       13.4596468817
F        -3.0208586247        8.9112251849       11.2670475214
F        -2.3484041074       10.8135064924       12.1403984973
F         1.8001976112       14.0688670832       12.5074772909
F        -0.2217083975       14.2613945735       13.3880358640
F         1.3840924894       15.6163799802       13.9867471521
F         2.3536102947       14.5570302916       18.6883658512
F         1.0644228522       12.8497575561       19.2725784853
F         3.2278545635       12.5706476809       19.1224679592
F        -1.4329964271        9.4613412427       18.9729247203
F        -2.2658728930        7.5282448527       18.3933690556
F        -0.9637482912        7.6963851502       20.1664010592
F         2.1738160161        4.2553006167       18.6829899168
F         2.0833289438        4.0914278688       16.4810651774
F         3.8226954777        4.9964269394       17.4370419363
F         7.0004154745        9.7615626924       17.5163588808
F         6.7714351287        7.6357039896       16.9956679811
F         8.3366112196        8.8638769577       16.0363519729
F         5.5268363418        9.3495544995       10.8165528418
F         7.3014085586       10.3937336647       11.6226028414
F         5.3981915814       11.4680736967       11.3996711850
310
SCF Energy = -2189.6968330080 (a.u.)
Lowest Frequencies = i350.810687  24.338185  28.716432 (cm^-1)
TS(II-I') / [1-(propene)][BArF4]
C         1.7096533251       10.1275952408        8.1874937988
C         0.4701009031       11.0054397316        7.9157753885
C        -0.3084909887       11.2549539605        9.2176278536
C         0.5860468960       11.9163681744       10.2744184701
C         1.8517009262       11.0851209184       10.5299478263
C         2.6280316418       10.7789317860        9.2341863171
C         3.9995640308        8.5793898673        7.1054174857
C         4.7974497112        8.0933999638        5.8773253339
C         5.9499671399        7.1570834604        6.2768005252
C         5.4440353246        5.9757508309        7.1081947429
C         4.7081606075        6.4743972824        8.3546984736
C         3.5441302671        7.4030218376        7.9850574537
C         3.2811038302       11.1612507829        5.8826956488
C         3.4689590196       11.0438432843        4.3627916381
C         2.7300625337        9.3699410939        2.0185130062
C         3.4864584456       10.3593616048        1.1136495718
C         3.8766758659        9.6893828082       -0.2183642329
C         4.6750165240        8.3950344728       -0.0085648295
C         3.9499989001        7.4329945979        0.9418913275
C         3.5891672749        8.1150237941        2.2725373382
C         0.8560630281       11.3989156092        3.0275998420
C        -0.4188447746       10.7374477318        2.4743941163
C        -1.3932566381       11.7836147706        1.9195117436
C        -1.7539560509       12.8163195857        2.9935226056
C        -0.4940934078       13.4734877445        3.5694234659
C         0.4984703017       12.4295237593        4.1169688728
Rh        1.1928774179        8.5451812566        5.1093629857
P         2.0628377454       10.1038578374        3.5918565988
P         2.5369123761        9.6158827627        6.6062566862
C         0.0920028124        6.8055706749        5.8875768072
C         0.5569540217        6.5357296399        4.5578909782
C         0.1286135677        7.3487755092        3.4978126345
H         1.3476378051        9.1664763517        8.5914999649
H         0.7837220653       11.9730503890        7.4948668400
H        -0.1798149381       10.5302389695        7.1641434665
H        -0.6909687154       10.2963258804        9.5994271111
H        -1.1892760434       11.8789424663        9.0095321839
H         0.0288202164       12.0517225924       11.2132756130
H         0.8680786922       12.9235073970        9.9343048885
H         2.5170195508       11.6138872832       11.2284806799
H         1.5691198847       10.1371803820       11.0131939920
H         3.4843029802       10.1302223723        9.4626644058
H         3.0380779433       11.7113376751        8.8292602846
H         4.6426796194        9.2465002555        7.7044810434
H         5.2005396603        8.9490837292        5.3182069998
H         4.1108397606        7.5637917568        5.1990689181
H         6.6980417060        7.7173388679        6.8541375224
H         6.4582140270        6.8088026879        5.3647411116
H         6.2752075846        5.3186152978        7.3978472321
H         4.7658471095        5.3612828515        6.4995143178
H         4.3239294813        5.6301601613        8.9452096491
H         5.4136156490        7.0142875214        9.0033909957
H         3.0697480338        7.7784700091        8.8989280328
H         2.7759113396        6.8290038859        7.4446267838
H         4.2295588727       11.3836893187        6.3926396707
H         2.5878715944       11.9784555808        6.1236194280
H         4.3857973197       10.4887285066        4.1232166326
H         3.5628376735       12.0331283718        3.8918785123
H         1.8150562770        9.0472296268        1.4931129895
H         4.3959765412       10.7006628519        1.6274915570
H         2.8848329192       11.2546386260        0.9121344956
H         4.4566383793       10.4022512912       -0.8230282238
H         2.9603291144        9.4605409901       -0.7845132000
H         5.6648366882        8.6367299410        0.4030060487
H         4.8552952992        7.9030920508       -0.9762389711
H         4.5684856507        6.5456864144        1.1338786348
H         3.0266282791        7.0675481049        0.4681126333
H         4.5124986950        8.4013426376        2.7986288120
H         3.0602549591        7.4120714165        2.9323246968
H         1.3629072690       11.9341431532        2.2068885827
H        -0.9041801214       10.1816223569        3.2915103625
H        -0.1717964904       10.0046819640        1.6982173006
H        -2.2940000941       11.2828043965        1.5405084090
H        -0.9355321532       12.2913507849        1.0564039039
H        -2.3159304668       12.3241778713        3.8004206481
H        -2.4240782833       13.5766405059        2.5691861715
H        -0.7512716881       14.1841729938        4.3683223174
H         0.0002410743       14.0637254295        2.7846231488
H         1.4009432725       12.9421951860        4.4797557733
H         0.0544074901       11.9072030025        4.9787545271
H         1.3751118071        5.8301922030        4.4028108952
H         0.5068000342        6.2245567438        6.7100028980
H        -0.9510751170        7.0962289120        6.0313771823
H         0.5513237680        7.2081982931        2.5065704108
H        -0.8380336864        7.8534595917        3.5389819854
H         0.4930669723        8.5451954425        6.5051037588
C         9.2861729417        2.2133721376       11.7820604071
C        10.5223399725        1.3347935748       12.0608561965
C        11.3185084508        1.1006819592       10.7661379027
C        10.4388842252        0.4518583152        9.6879754654
C         9.1775857609        1.2872356047        9.4227828005
C         8.3813189687        1.5780092827       10.7102948979
C         6.9787586304        3.7449533101       12.8213991542
C         6.1225628302        4.1916869919       14.0233186669
C         4.9856774650        5.1337055796       13.5933753032
C         5.5259933920        6.3440026412       12.8277611249
C         6.3281167805        5.8890768047       11.6053277033
C         7.4742334710        4.9510047926       12.0049221620
C         7.6394581618        1.1332637657       14.0168846694
C         7.4439130935        1.2121505622       15.5402513079
C         8.2196227511        2.9291654656       17.8740628046
C         7.4767722502        1.9617496299       18.8117085606
C         7.0980629324        2.6605624123       20.1313348044
C         6.2978908290        3.9500127668       19.8998163415
C         7.0172278378        4.8915908650       18.9244597442
C         7.3657573015        4.1843066732       17.6035765993
C        10.0611644408        0.8562294314       16.8988017443
C        11.3116015742        1.5488935836       17.4749763640
C        12.3352693309        0.5298480436       17.9926111190
C        12.7270795088       -0.4622554104       16.8915858542
C        11.4882648065       -1.1603609775       16.3183915024
C        10.4544220152       -0.1454202818       15.7949586949
Rh        9.7352132507        3.6691290656       14.8575681980
P         8.8544680977        2.1419094236       16.3139109979
P         8.4179426477        2.6927376155       13.3522610338
C        11.0494692982        4.7398518663       13.3639293441
C        10.6038195014        5.5712198760       14.3867825433
C        11.1372830853        5.4213626908       15.7766781500
H         9.6520116209        3.1765507523       11.3931263613
H        10.2047301717        0.3614871300       12.4654661699
H        11.1530443314        1.8063083847       12.8293926811
H        11.7066144444        2.0637030272       10.4005652607
H        12.1965641674        0.4741831237       10.9783355835
H        11.0085728313        0.3257989834        8.7550794678
H        10.1505981203       -0.5585010661       10.0132825386
H         8.5222975234        0.7670631558        8.7078810142
H         9.4668090800        2.2403684520        8.9542016173
H         7.5315565338        2.2331453431       10.4751322270
H         7.9609930776        0.6416700462       11.0952914769
H         6.3635587255        3.1008440446       12.1701412834
H         5.6992687416        3.3185031675       14.5392058253
H         6.7747335423        4.7047683173       14.7465412601
H         4.2742179133        4.5885114090       12.9584874035
H         4.4252188785        5.4488766155       14.4865805927
H         4.7066889320        7.0056348592       12.5152973067
H         6.1672605552        6.9420791294       13.4903394791
H         6.7374393250        6.7530150754       11.0618143026
H         5.6595134479        5.3678657536       10.9047062564
H         7.9975478044        4.6077576927       11.1054563947
H         8.2085095512        5.5104255369       12.6045387367
H         6.6921539963        0.9386801942       13.4937747058
H         8.3229564545        0.3126410879       13.7595726769
H         6.5283876984        1.7656462024       15.7896108515
H         7.3483087939        0.2130339739       15.9891859448
H         9.1442779868        3.2614329180       18.3768873412
H         6.5641718230        1.6041662139       18.3151914391
H         8.0849698970        1.0747428582       19.0266087454
H         6.5235519756        1.9605469969       20.7560721548
H         8.0188274886        2.9022833914       20.6848166044
H         5.3049998974        3.6995220116       19.5009757376
H         6.1256860015        4.4620828388       20.8584113441
H         6.3986643564        5.7762092570       18.7202595236
H         7.9448086458        5.2642577625       19.3841535619
H         6.4376489569        3.8942354019       17.0880986426
H         7.8977790943        4.8696266501       16.9259972119
H         9.5569555311        0.2991452568       17.7060181001
H        11.7716271723        2.1575884931       16.6791184306
H        11.0358379047        2.2395691513       18.2803143584
H        13.2184545329        1.0587346969       18.3755838289
H        11.9076485608       -0.0170132007       18.8471240664
H        13.2567367121        0.0700915382       16.0881020796
H        13.4359633558       -1.2007902649       17.2912752863
H        11.7642497942       -1.8487822438       15.5062794657
H        11.0248358905       -1.7797441634       17.0994173149
H         9.5679581649       -0.6816776871       15.4259904839
H        10.8754100404        0.4074670028       14.9406142466
H         9.8868194953        6.3682880797       14.1886497265
H        10.6886586901        4.8974250961       12.3504569275
H        11.9694063377        4.1621797577       13.4561580186
H        10.8750641011        6.2596667543       16.4293110980
H        12.2133865688        5.2137690520       15.8209286521
H        10.6527900386        4.5217037870       16.3405184491
C         7.3008789449        2.9496215996        5.1701991654
C         6.8238471051        2.5754996057        6.4401235906
C         5.4574218128        2.4621026431        6.7168208576
C         4.4989372115        2.7225672327        5.7364113645
C         4.9457631958        3.1086958245        4.4721793437
C         6.3182593604        3.2096360479        4.1937035529
C         5.0398677427        2.0734969231        8.1011731549
C         3.9548579840        3.4546577275        3.3947075932
C         9.3566740352        3.9210723985        3.6372757103
C         8.7448303400        5.1717459317        3.4389785921
C         9.1911182170        6.0712820819        2.4581997963
C        10.2724037552        5.7505566179        1.6387948692
C        10.9156704375        4.5236662490        1.8412181545
C        10.4726909226        3.6365084399        2.8249193544
C         8.5287151783        7.4162555204        2.3423961071
C        12.1219972230        4.2017763921        1.0096024253
C         9.1302711206        1.3263565986        4.4385875428
C         8.9142371882        0.8641669212        3.1277437845
C         8.9868543723       -0.4933401180        2.7937220578
C         9.2749852921       -1.4547917232        3.7727980211
C         9.4832792079       -1.0178957161        5.0883519516
C         9.4086378378        0.3446691278        5.4072693811
C         8.8229605645       -0.8767688197        1.3446194889
C         9.8629453991       -1.9848071744        6.1833327477
C         9.8399672743        3.3776555191        6.1013258486
C        11.1335655608        2.8776819684        6.3449945837
C        11.9469732290        3.3864607841        7.3734777215
C        11.4942993042        4.4137086517        8.1961302508
C        10.2221242293        4.9405853586        7.9518865622
C         9.4178481362        4.4393286604        6.9275014360
C        13.3476533339        2.8675722908        7.5437428983
C         9.7593129610        6.0619187903        8.8259918098
B         8.9088994280        2.8989040763        4.8356611684
H         7.5364039249        2.3634273398        7.2368255327
H         3.4399163966        2.6523903290        5.9585669735
H         6.6240482166        3.5003309002        3.1889295666
H         7.8944400554        5.4560349908        4.0580591420
H        10.6041615568        6.4371152451        0.8673380559
H        11.0028236383        2.6948319109        2.9564609231
H         8.6802145847        1.5805822701        2.3413766202
H         9.3484037105       -2.5075857851        3.5182469558
H         9.5690840378        0.6441520067        6.4425231494
H        11.5256405557        2.0762365843        5.7182619055
H        12.1170815909        4.8001611682        8.9973636947
H         8.4369403010        4.8831251391        6.7673856420
F         9.8773824556        5.7341736679       10.1595968628
F        10.5124074818        7.1998695020        8.6764755868
F         8.4648981678        6.4133657993        8.6087781226
F        14.0897001085        3.1228931040        6.4032525609
F        14.0138824686        3.4254797269        8.5997152891
F        13.4050159591        1.5143102489        7.7242441992
F         9.1896300811       -1.7351640654        7.3566678358
F        11.2108488691       -1.9273170635        6.4756308826
F         9.6052984246       -3.2837363004        5.8772525651
F         8.6361703826       -2.2233367407        1.1754990424
F         9.9252144354       -0.5158561251        0.5911851699
F         7.7617792676       -0.2370741286        0.7414818786
F        12.4216845273        2.8776936803        0.9552421256
F        13.2601865431        4.8103354754        1.4719372060
F        11.9539061428        4.6313435456       -0.2948565264
F         8.8159000559        8.0782641888        1.1817863422
F         8.9061364574        8.2438954623        3.3833891894
F         7.1653963256        7.3380669616        2.4270894182
F         3.9897383608        2.5724206802        2.3477052045
F         4.2185024565        4.6982164985        2.8683440045
F         2.6537320072        3.4697670119        3.8275723998
F         5.4630090092        2.9843253655        9.0474810840
F         3.6882321825        1.9400847395        8.2414488646
F         5.5917434915        0.8658493759        8.4642050904
C         3.6909296329        9.3839968072       14.6987030079
C         4.1665630877        9.7573230904       13.4276516737
C         5.5325449472        9.8708345223       13.1484001410
C         6.4917169111        9.6102366255       14.1281927763
C         6.0461121819        9.2254565024       15.3930879430
C         4.6743016827        9.1255089013       15.6741745947
C         5.9500153339       10.2605110197       11.7635915187
C         7.0372201356        8.8780758352       16.4694721699
C         1.6338098780        8.4192115152       16.2376790544
C         2.2415411837        7.1659459515       16.4335477660
C         1.7963987758        6.2665400975       17.4148111883
C         0.7189550780        6.5929645009       18.2392731800
C         0.0791469858        7.8247091257       18.0405827528
C         0.5220979678        8.7100478965       17.0551921750
C         2.4600221075        4.9186139289       17.5245312784
C        -1.1293744432        8.1419763696       18.8751624399
C         1.8591617547       11.0069097909       15.4262335533
C         2.0792971832       11.4702672993       16.7360950515
C         2.0035738387       12.8273074135       17.0704904809
C         1.7134977689       13.7880608440       16.0914055185
C         1.5041362653       13.3505288965       14.7762166625
C         1.5762931988       11.9875661180       14.4580182069
C         2.1668260962       13.2104217272       18.5198030533
C         1.1268430503       14.3179621905       13.6809293352
C         1.1541181314        8.9433415067       13.7709890263
C        -0.1426196684        9.4346427666       13.5321993685
C        -0.9558639198        8.9191116277       12.5071561139
C        -0.5048267021        7.8945120738       11.6844463936
C         0.7730744058        7.3814569746       11.9195812969
C         1.5802415289        7.8867496583       12.9397279481
C        -2.3437653752        9.4565825791       12.3243714808
C         1.2337727675        6.2688604779       11.0366911944
B         2.0831233120        9.4337993085       15.0332838681
H         3.4527241417        9.9685562819       12.6323298153
H         7.5506048283        9.6795144500       13.9052734520
H         4.3705879623        8.8362066683       16.6800975325
H         3.0880259843        6.8796443554       15.8099238046
H         0.3833257023        5.9042172070       19.0077773911
H        -0.0048535638        9.6542463059       16.9260361198
H         2.3188304629       10.7552747452       17.5221496780
H         1.6404275949       14.8409243452       16.3456715145
H         1.4118217068       11.6866975722       13.4239864183
H        -0.5363615595       10.2371118570       14.1564977552
H        -1.1297608996        7.5049147709       10.8868144943
H         2.5662161414        7.4514538337       13.0911458520
F         1.1123916094        6.5999905770        9.7047172362
F         0.4794719796        5.1320612281       11.1856285948
F         2.5278908728        5.9191827260       11.2543436488
F        -3.0996248186        9.2140513073       13.4597291632
F        -3.0207242029        8.9112760733       11.2673042129
F        -2.3483314106       10.8137154413       12.1404042128
F         1.8003524560       14.0691286898       12.5078369134
F        -0.2214957639       14.2614003302       13.3880708972
F         1.3841324508       15.6167004235       13.9868594520
F         2.3537594575       14.5571207188       18.6884528437
F         1.0644693361       12.8497625772       19.2726158542
F         3.2279306658       12.5703830212       19.1228729227
F        -1.4328758805        9.4623510378       18.9730487458
F        -2.2656595329        7.5285126796       18.3933953633
F        -0.9637329505        7.6966768719       20.1661962105
F         2.1738688704        4.2552541326       18.6829813695
F         2.0832898886        4.0915383289       16.4811171764
F         3.8227341899        4.9964194505       17.4370367946
F         7.0004174792        9.7615375167       17.5164921161
F         6.7715071105        7.6356668027       16.9957176452
F         8.3368656416        8.8638899781       16.0364212243
F         5.5270403465        9.3494602871       10.8166675907
F         7.3016164438       10.3937003080       11.6226401982
F         5.3984279607       11.4679299981       11.3998505042
310
SCF Energy = -2189.7148569558 (a.u.)
Lowest Frequencies = 23.154784  30.541620  31.859239 (cm^-1)
I' / [1-(propene)][BArF4]
C         1.7471431596       10.0780027405        8.1474886295
C         0.4878909275       10.9173413528        7.8472175642
C        -0.3154951922       11.1738735619        9.1333338173
C         0.5488108130       11.8640130754       10.1978684097
C         1.8167919276       11.0498190462       10.4932851904
C         2.6269315874       10.7455247124        9.2189486049
C         4.0804457274        8.5684482353        7.1219143712
C         4.9176851817        8.1127352768        5.9089323173
C         6.0556980245        7.1664080204        6.3240840712
C         5.5203856070        5.9637318278        7.1046953179
C         4.7453389400        6.4304976622        8.3395285845
C         3.5954893567        7.3702857754        7.9559018638
C         3.4116712404       11.1544590235        5.8898403578
C         3.5492562056       11.0389437524        4.3625673510
C         2.7505922937        9.3562671397        2.0378970319
C         3.4225786092       10.3609286741        1.0830524597
C         3.8121709348        9.6773225721       -0.2422937102
C         4.6724242761        8.4237066490       -0.0288092666
C         4.0171332319        7.4519090408        0.9615605209
C         3.6721898008        8.1466394278        2.2894422237
C         0.9635203378       11.4795138868        3.0735141648
C        -0.1111659388       11.0035804718        2.0793905317
C        -1.0631599212       12.1435464481        1.6836155808
C        -1.7130916678       12.7753761973        2.9190122280
C        -0.6431099692       13.2876176757        3.8880911313
C         0.3226329593       12.1636456603        4.2986228221
Rh        1.3004768388        8.5945752390        5.0347373795
P         2.1141986385       10.1123534747        3.6096474573
P         2.6377551863        9.6142768269        6.5865039284
C         0.3046671113        6.5000291403        5.7074551968
C         0.4559908024        6.7888891910        4.2486094623
C        -0.3009427547        7.7862448440        3.6426484654
H         1.4025769043        9.1031695070        8.5331883770
H         0.7791442192       11.8841297028        7.4091074421
H        -0.1325118796       10.4047710062        7.0955870505
H        -0.6901335083       10.2154404447        9.5236046879
H        -1.2025660929       11.7806738735        8.9009121430
H        -0.0289100557       12.0088039654       11.1228625225
H         0.8285412987       12.8682471318        9.8469441151
H         2.4588815280       11.5918449549       11.2037353977
H         1.5334166245       10.1028643699       10.9775554504
H         3.4861183900       10.1092104217        9.4701761831
H         3.0355102077       11.6816101529        8.8196096579
H         4.7046771044        9.2158042400        7.7605389456
H         5.3379722312        8.9826042189        5.3852630187
H         4.2527102256        7.6029756557        5.1944285599
H         6.7808074760        7.7106025896        6.9439947955
H         6.5988728723        6.8434226814        5.4230578414
H         6.3390628002        5.2965579138        7.4054714733
H         4.8621969382        5.3675767258        6.4570302878
H         4.3423778453        5.5723455474        8.8964959930
H         5.4297257043        6.9537329680        9.0230107399
H         3.0885805648        7.7208256739        8.8621094430
H         2.8505457957        6.8032710889        7.3764830703
H         4.3828962874       11.3378068292        6.3711416428
H         2.7583009653       11.9940382712        6.1616180322
H         4.4534943265       10.4735826347        4.0988816866
H         3.6409273020       12.0276710885        3.8903864182
H         1.8328116027        8.9766895533        1.5577909797
H         4.3245259738       10.7703799072        1.5595722679
H         2.7624781523       11.2133576382        0.8773750638
H         4.3458645320       10.4020361111       -0.8749694065
H         2.8941738817        9.3971102077       -0.7813921367
H         5.6617082749        8.7165283912        0.3492155016
H         4.8471087264        7.9203527324       -0.9916694781
H         4.6789310975        6.5958393758        1.1510956723
H         3.0958059302        7.0380029233        0.5248533146
H         4.6002888275        8.4828961179        2.7761734769
H         3.1917372311        7.4432351119        2.9848114073
H         1.6109704423       12.2125030652        2.5621484363
H        -0.6964183975       10.1956106317        2.5389817055
H         0.3583248168       10.5855897346        1.1800788241
H        -1.8303435290       11.7545418305        0.9995454100
H        -0.5075042524       12.9128084904        1.1277150470
H        -2.3436983141       12.0319296594        3.4273111084
H        -2.3853477603       13.5895311329        2.6148289169
H        -1.1013036518       13.7102773408        4.7941501399
H        -0.0805828980       14.1045473052        3.4150144532
H         1.0985560311       12.5720298579        4.9612888407
H        -0.2197678745       11.4027609002        4.8812399288
H         1.1387117031        6.1730064895        3.6636298173
H         0.8111983835        5.5796715755        6.0158374763
H        -0.7343810518        6.5109293010        6.0602363553
H        -0.2055471244        7.9479145215        2.5726699377
H        -1.1993822309        8.1903442708        4.1103255322
H         0.8232926676        7.3064094191        6.3770084668
C         9.2908830002        2.2121361238       11.7719623695
C        10.5300881268        1.3383748018       12.0532757914
C        11.3281562331        1.1049241923       10.7594483675
C        10.4514571031        0.4519192261        9.6813801005
C         9.1874143606        1.2825117321        9.4141667400
C         8.3891900106        1.5713051495       10.7008635169
C         6.9739687688        3.7346005553       12.8106201445
C         6.1257914335        4.1850598237       14.0173861431
C         4.9897335058        5.1317059155       13.5959774361
C         5.5296639435        6.3396368872       12.8265974876
C         6.3179108774        5.8797594488       11.5971978501
C         7.4641273270        4.9376008965       11.9860790231
C         7.6545184948        1.1276991550       14.0111109883
C         7.4547578865        1.2141190129       15.5332891545
C         8.2236739472        2.9294002599       17.8673849393
C         7.4638557175        1.9563887487       18.7860354399
C         7.0883297313        2.6400507303       20.1144009682
C         6.3003075858        3.9393924311       19.8970312094
C         7.0309616188        4.8881164311       18.9370343180
C         7.3817071551        4.1953107842       17.6090377357
C        10.0905455646        0.8922694391       16.8828133537
C        11.3698303229        1.6095942867       17.3578009204
C        12.4021326455        0.6137488367       17.9013016236
C        12.7403234354       -0.4531925658       16.8534892632
C        11.4747043123       -1.1659947876       16.3616856633
C        10.4321023845       -0.1695907597       15.8193145222
Rh        9.7255911274        3.6878762391       14.8414117743
P         8.8596986792        2.1560372229       16.3009976658
P         8.4201070581        2.6912117005       13.3405766481
C        11.0484145470        4.7469535988       13.3496989762
C        10.5879188976        5.5898405947       14.3564048155
C        11.1088254123        5.4633199700       15.7534747234
H         9.6532811904        3.1759704464       11.3814374742
H        10.2150792610        0.3643608964       12.4583049828
H        11.1583710888        1.8127738190       12.8220461574
H        11.7134894961        2.0688239843       10.3932692825
H        12.2081537424        0.4813852951       10.9724397300
H        11.0227083855        0.3261071002        8.7494265071
H        10.1661674317       -0.5589262920       10.0078530242
H         8.5346580702        0.7595585848        8.6989752722
H         9.4735966347        2.2364273336        8.9452932569
H         7.5363127212        2.2220935663       10.4648348974
H         7.9731919140        0.6334467927       11.0867822749
H         6.3558808658        3.0865044151       12.1661888537
H         5.7025391125        3.3131315472       14.5354140692
H         6.7844629288        4.6954049344       14.7369148010
H         4.2713516875        4.5898684267       12.9660480843
H         4.4373941093        5.4488959700       14.4934969645
H         4.7112407493        7.0058084422       12.5215068155
H         6.1801214462        6.9341549453       13.4834676212
H         6.7259871505        6.7413491725       11.0490155508
H         5.6399797988        5.3606639548       10.9041589460
H         7.9766291835        4.5904902941       11.0816919158
H         8.2069039301        5.4956991188       12.5762699985
H         6.7105599225        0.9208947222       13.4866658855
H         8.3468318701        0.3121759550       13.7610231736
H         6.5371033341        1.7663295193       15.7775858914
H         7.3611931979        0.2175756730       15.9882306920
H         9.1486498407        3.2442636502       18.3811596462
H         6.5482250923        1.6208815923       18.2798745089
H         8.0574397445        1.0566433185       18.9891829234
H         6.5059296221        1.9371725784       20.7284201073
H         8.0099538065        2.8663219362       20.6731595385
H         5.3068159958        3.7025642349       19.4914194483
H         6.1284388280        4.4400034494       20.8617030777
H         6.4197054688        5.7798214053       18.7411505539
H         7.9588818606        5.2479812778       19.4059559342
H         6.4545435700        3.9187231751       17.0844127407
H         7.9219390514        4.8855500002       16.9431472902
H         9.6275364138        0.3803046573       17.7429217514
H        11.7995423109        2.1555343305       16.5016105106
H        11.1357693770        2.3589018694       18.1235510382
H        13.3056776832        1.1542502680       18.2144381441
H        12.0040952512        0.1304999145       18.8064934513
H        13.2522216092        0.0187354949       16.0021926441
H        13.4498493281       -1.1776688666       17.2772181656
H        11.7172241003       -1.9001493338       15.5795320004
H        11.0309854404       -1.7378926831       17.1893797984
H         9.5284566725       -0.7153942843       15.5113344779
H        10.8280994285        0.3320073068       14.9224599344
H         9.8682884415        6.3797635155       14.1403172728
H        10.6971930168        4.8886502883       12.3306296401
H        11.9709954858        4.1764994474       13.4587519947
H        10.8338355524        6.3087143640       16.3915858720
H        12.1861529950        5.2651658846       15.8112283372
H        10.6259913690        4.5678632551       16.3239892919
C         7.3019486054        2.9489501414        5.1697912907
C         6.8248566784        2.5740961193        6.4394808513
C         5.4582799507        2.4608329245        6.7163245377
C         4.5000426635        2.7207952818        5.7355072889
C         4.9466942715        3.1084291134        4.4716301347
C         6.3192747366        3.2098735302        4.1933808493
C         5.0403599864        2.0725763371        8.1010095734
C         3.9554454365        3.4551785957        3.3942086023
C         9.3578955455        3.9222908751        3.6374702583
C         8.7451209628        5.1723254188        3.4383146185
C         9.1915996481        6.0719360721        2.4579104510
C        10.2730055659        5.7514745363        1.6387753180
C        10.9165116100        4.5249409651        1.8413224655
C        10.4740284378        3.6379586795        2.8254621237
C         8.5286108648        7.4165016021        2.3417315371
C        12.1221894549        4.2023714412        1.0093945899
C         9.1351412364        1.3275712879        4.4376339211
C         8.9173291560        0.8651023035        3.1269644113
C         8.9866052160       -0.4927042637        2.7936507856
C         9.2722051239       -1.4542942399        3.7733179345
C         9.4858648010       -1.0169313946        5.0877941930
C         9.4158163355        0.3460923260        5.4057971685
C         8.8236913826       -0.8769180223        1.3445629297
C         9.8640775100       -1.9840004199        6.1830674277
C         9.8406531832        3.3801370223        6.1014538057
C        11.1332292926        2.8791767179        6.3475893282
C        11.9469066168        3.3865086207        7.3764414362
C        11.4954968769        4.4152202462        8.1981140383
C        10.2235303529        4.9423309701        7.9525796087
C         9.4194991345        4.4424564026        6.9271651138
C        13.3471945455        2.8661138811        7.5466026157
C         9.7598082578        6.0632417158        8.8270372285
B         8.9104509832        2.8996843721        4.8353672587
H         7.5372849726        2.3617329520        7.2362590791
H         3.4409744020        2.6481414854        5.9564918229
H         6.6250896472        3.5016186179        3.1888576462
H         7.8936634322        5.4558808004        4.0562460886
H        10.6042508635        6.4376577017        0.8668152583
H        11.0043909064        2.6963114661        2.9567765942
H         8.6837144288        1.5814617626        2.3404079185
H         9.3407920452       -2.5076112304        3.5193537970
H         9.5787008628        0.6454351509        6.4406923788
H        11.5242066994        2.0778356611        5.7206125557
H        12.1195463387        4.8037632709        8.9973724613
H         8.4396805559        4.8879879744        6.7659135235
F         9.8773595524        5.7342464803       10.1598358309
F        10.5126801847        7.2003313237        8.6765215710
F         8.4653579310        6.4133602930        8.6090466876
F        14.0895426620        3.1225815938        6.4036529572
F        14.0141180588        3.4252736024        8.6002398677
F        13.4050520219        1.5139603717        7.7245162295
F         9.1897040171       -1.7349957031        7.3564077917
F        11.2113184682       -1.9272671178        6.4757823870
F         9.6057935597       -3.2827142198        5.8771116017
F         8.6362166192       -2.2230965872        1.1756805645
F         9.9261566155       -0.5160932013        0.5916145825
F         7.7620555283       -0.2370280567        0.7413957837
F        12.4218581561        2.8786055268        0.9551960526
F        13.2602586650        4.8121572433        1.4722338481
F        11.9538832617        4.6314692843       -0.2947739469
F         8.8159530552        8.0783640619        1.1817095910
F         8.9055019799        8.2441292136        3.3835439693
F         7.1657975032        7.3380587670        2.4270506073
F         3.9896067196        2.5723207582        2.3475804123
F         4.2185707070        4.6981284861        2.8682177140
F         2.6534730048        3.4697512097        3.8274886194
F         5.4631598998        2.9840810027        9.0473553952
F         3.6884101144        1.9400475841        8.2413656076
F         5.5916515788        0.8654319326        8.4643337996
C         3.6898612682        9.3834558948       14.6978572191
C         4.1655238182        9.7579328048       13.4270876554
C         5.5317250308        9.8707558604       13.1481451460
C         6.4907026571        9.6095732492       14.1279921474
C         6.0452017645        9.2244825368       15.3928347551
C         4.6731747700        9.1238670194       15.6732228701
C         5.9498004912       10.2607027009       11.7636378164
C         7.0366769029        8.8778603422       16.4695726446
C         1.6312131593        8.4177724196       16.2351955677
C         2.2390809714        7.1646773319       16.4313385574
C         1.7957702535        6.2662972642       17.4144815268
C         0.7198222733        6.5936050811       18.2404922873
C         0.0780732586        7.8240245641       18.0393364810
C         0.5187667593        8.7081063692       17.0518622124
C         2.4599116729        4.9185750669       17.5245070409
C        -1.1296981053        8.1417863497       18.8743554577
C         1.8576739647       11.0063906625       15.4253081881
C         2.0763192195       11.4694427970       16.7355563945
C         2.0033086910       12.8267202804       17.0699283192
C         1.7143881485       13.7875408651       16.0905753655
C         1.5046138665       13.3500795309       14.7754212145
C         1.5763601355       11.9871819596       14.4567958909
C         2.1673138136       13.2100750251       18.5193980401
C         1.1269182715       14.3176373639       13.6805474696
C         1.1535447808        8.9436129628       13.7695979503
C        -0.1432764600        9.4345676691       13.5311699208
C        -0.9563517532        8.9187538624       12.5062459759
C        -0.5053631563        7.8940787994       11.6837545691
C         0.7726280770        7.3813928248       11.9188467827
C         1.5798968430        7.8871264609       12.9385764072
C        -2.3439002907        9.4565990135       12.3238884790
C         1.2339296124        6.2690316864       11.0366144338
B         2.0817805300        9.4333214386       15.0321170404
H         3.4517839239        9.9705236937       12.6317435942
H         7.5495795876        9.6793821273       13.9052394775
H         4.3690311294        8.8333079245       16.6786632438
H         3.0849897069        6.8779967480       15.8070674461
H         0.3876004294        5.9074373962       19.0127595568
H        -0.0094114976        9.6515455940       16.9217617963
H         2.3121879523       10.7536116568       17.5218319848
H         1.6421087259       14.8405340772       16.3445264678
H         1.4117862071       11.6865823666       13.4225800392
H        -0.5374058619       10.2368652006       14.1554497891
H        -1.1302262183        7.5045203138       10.8860690652
H         2.5660911870        7.4522559149       13.0896736363
F         1.1126742479        6.6000097890        9.7039863792
F         0.4795686568        5.1321468514       11.1854275410
F         2.5278544480        5.9192216085       11.2542439788
F        -3.0996352581        9.2140690037       13.4596211217
F        -3.0209524363        8.9112642633       11.2669932257
F        -2.3483873825       10.8137061464       12.1403329048
F         1.8001767700       14.0689627179       12.5073575257
F        -0.2215451271       14.2613188899       13.3880067949
F         1.3841227562       15.6164241981       13.9867247458
F         2.3537918016       14.5570070124       18.6882431592
F         1.0649660438       12.8498288087       19.2719493595
F         3.2280178046       12.5703414789       19.1228345407
F        -1.4331085606        9.4622115623       18.9716467502
F        -2.2660039709        7.5283866026       18.3933923577
F        -0.9637529594        7.6978303993       20.1654233281
F         2.1738825462        4.2552614453       18.6830211447
F         2.0832924748        4.0915398154       16.4811635322
F         3.8227266114        4.9964846418       17.4370531260
F         7.0002797062        9.7613963672       17.5163335200
F         6.7714764514        7.6354859246       16.9958115899
F         8.3366020176        8.8638682138       16.0364401705
F         5.5270782951        9.3494103194       10.8166604824
F         7.3015669405       10.3936973654       11.6227327506
F         5.3983754223       11.4679930074       11.3998567223
310
SCF Energy = -2189.7001673831 (a.u.)
Lowest Frequencies = i74.515722  16.418058  31.394531 (cm^-1)
TS(I-Irotint) / [1-(propene)][BArF4]
C         1.7199475508       10.0551213691        8.0701554636
C         0.4510385640       10.8846385606        7.7874620474
C        -0.3298611490       11.1489048519        9.0862565083
C         0.5495870333       11.8518205609       10.1305712964
C         1.8330837210       11.0535966283       10.4013721038
C         2.6179872786       10.7585557259        9.1080449666
C         4.0946752817        8.5978192770        7.0359096584
C         4.8365254164        8.0348379737        5.8050839235
C         6.0079342857        7.1163069634        6.1901235403
C         5.5484279697        5.9979762303        7.1271040685
C         4.9197849870        6.5950497612        8.3879897881
C         3.7254713742        7.4897850246        8.0371127902
C         3.3616747981       11.1899478627        5.8808889236
C         3.5729196468       11.1455448949        4.3614632809
C         2.7789914094        9.4433716344        2.0181950952
C         3.5509385345       10.4109968764        1.1015037908
C         3.9178725460        9.7273824512       -0.2295350488
C         4.6883866957        8.4166370803       -0.0177552063
C         3.9443981068        7.4743569323        0.9381901209
C         3.6040552134        8.1649793170        2.2698643195
C         0.9545545540       11.5143530063        2.9968285688
C        -0.3113412232       10.8170009611        2.4595368320
C        -1.3316407975       11.8289217529        1.9207231709
C        -1.7015602626       12.8580390747        2.9945820689
C        -0.4489274910       13.5596136090        3.5319814546
C         0.5833389458       12.5519880604        4.0741496379
Rh        1.2743319899        8.6975119017        4.9704872185
P         2.1606437290       10.2279402808        3.5894578638
P         2.6059385113        9.5965884298        6.5009847887
C         0.5276215009        7.0772281772        6.5742419600
C        -0.1088230256        7.0163761038        5.3578984557
C        -1.4337078171        7.6495420956        5.0581338631
H         1.4040558648        9.0856940700        8.4866560745
H         0.7328742855       11.8501248517        7.3394325657
H        -0.1776765015       10.3683589750        7.0455143893
H        -0.6942314730       10.1927346046        9.4916001686
H        -1.2228601818       11.7512210438        8.8644845315
H        -0.0104258750       11.9947607713       11.0667606729
H         0.8114711889       12.8574714471        9.7699136521
H         2.4851772217       11.6057385369       11.0951614456
H         1.5740915882       10.1038953145       10.8943069404
H         3.5032098920       10.1524334155        9.3424467114
H         2.9847692213       11.7028508861        8.6896587646
H         4.7517392253        9.3243039553        7.5444189487
H         5.2064454460        8.8570142190        5.1761835852
H         4.1148128600        7.4735925481        5.1916697343
H         6.7949217978        7.7005984473        6.6843790834
H         6.4517824754        6.7064706669        5.2703200440
H         6.3859726276        5.3410047985        7.3958808981
H         4.8143419699        5.3621440901        6.6121442300
H         4.5793948670        5.7995570607        9.0658725766
H         5.6750119715        7.1758138559        8.9370161912
H         3.3008460471        7.9234727187        8.9511198758
H         2.9451852291        6.8554392441        7.6026824516
H         4.2974856724       11.3951748441        6.4198743603
H         2.6542805023       11.9878201328        6.1454026222
H         4.4908111479       10.5998305235        4.1045836424
H         3.6631303632       12.1525447712        3.9289461376
H         1.8517425442        9.1428402058        1.5007825198
H         4.4703842711       10.7326453986        1.6093707220
H         2.9696734611       11.3189263463        0.9006751094
H         4.5092965441       10.4254917127       -0.8404622462
H         2.9931722627        9.5161107906       -0.7891349433
H         5.6846935665        8.6386874616        0.3891321070
H         4.8545593084        7.9177900180       -0.9844282281
H         4.5422053395        6.5726886528        1.1294512683
H         3.0110524122        7.1307241809        0.4678173099
H         4.5347264958        8.4257912992        2.7961750422
H         3.0554278530        7.4794903206        2.9336633164
H         1.4502049460       12.0420593778        2.1647301660
H        -0.7703971788       10.2503121492        3.2870833619
H        -0.0584471128       10.0913678904        1.6773780877
H        -2.2237157080       11.2985677268        1.5615307650
H        -0.9051863772       12.3447739575        1.0465078035
H        -2.2304400148       12.3569853575        3.8188048348
H        -2.4045583577       13.5924666225        2.5776900432
H        -0.7081648056       14.2762386421        4.3243924157
H         0.0099129018       14.1496904020        2.7263524813
H         1.4786674987       13.0914886936        4.4162051456
H         0.1681222722       12.0291122812        4.9497106098
H         0.2728146925        6.3004091602        4.6177986569
H         1.3478019390        6.4001197259        6.7936203474
H         0.0777287409        7.5986840573        7.4165208306
H        -1.4043897142        8.2724239641        4.1464372845
H        -2.1720278062        6.8604379505        4.8394094505
H        -1.8056570177        8.2628137307        5.8874592217
C         9.2695504611        2.2179056548       11.7640034715
C        10.4991937103        1.3289313502       12.0391067716
C        11.2933956049        1.0925267985       10.7434818997
C        10.4088385843        0.4532845634        9.6639703500
C         9.1543477958        1.2994731288        9.4013720688
C         8.3598347984        1.5942559548       10.6892764986
C         6.9735465585        3.7620999005       12.8116342649
C         6.1136844549        4.2007001265       14.0137785533
C         4.9807426805        5.1486896907       13.5871333306
C         5.5284392469        6.3643220334       12.8357991658
C         6.3386936634        5.9190031409       11.6159522883
C         7.4792082290        4.9739201456       12.0112055330
C         7.6112853978        1.1433350575       13.9949378002
C         7.4149851028        1.2188243775       15.5185299816
C         8.1953234394        2.9308596537       17.8567403325
C         7.4523615454        1.9664074523       18.7971631378
C         7.0765710814        2.6677546302       20.1163929014
C         6.2798156144        3.9592712375       19.8841289346
C         7.0000074152        4.8973990219       18.9061298834
C         7.3439424746        4.1873883440       17.5854252382
C        10.0213826540        0.8398936544       16.8826303569
C        11.2563311866        1.5146022894       17.5114424796
C        12.2789501521        0.4820581501       18.0050540754
C        12.6969834512       -0.4622308410       16.8722313067
C        11.4718785815       -1.1502841911       16.2595908373
C        10.4389508648       -0.1255723386       15.7553219500
Rh        9.7262938789        3.6611479157       14.8469790929
P         8.8288355336        2.1391316021       16.2986183428
P         8.4046447210        2.6975060102       13.3367395835
C        11.0483716762        4.7288347592       13.3581931371
C        10.6052793924        5.5602423062       14.3821653495
C        11.1350922226        5.4049251724       15.7729399867
H         9.6424130018        3.1799912293       11.3789766197
H        10.1743898912        0.3570329458       12.4412660712
H        11.1339227617        1.7936765230       12.8084054573
H        11.6882164131        2.0536195228       10.3801117307
H        12.1669815372        0.4587494331       10.9528864662
H        10.9782169062        0.3256428564        8.7310452889
H        10.1125348008       -0.5556366705        9.9863942131
H         8.4944292789        0.7863014961        8.6857029293
H         9.4514161742        2.2511709716        8.9348006806
H         7.5173341766        2.2588169702       10.4548864813
H         7.9290647207        0.6610237080       11.0705506358
H         6.3579648020        3.1286058566       12.1503363346
H         5.6861276105        3.3247298354       14.5209710949
H         6.7642268665        4.7069696179       14.7430712159
H         4.2709344413        4.6107017112       12.9441060777
H         4.4167935338        5.4574912557       14.4803436053
H         4.7127854989        7.0297501894       12.5219231320
H         6.1652478792        6.9559330138       13.5081857234
H         6.7513064367        6.7864152405       11.0811022137
H         5.6735967650        5.4041108599       10.9079866193
H         8.0044885762        4.6374670846       11.1104523535
H         8.2132861608        5.5235270922       12.6198848082
H         6.6621759528        0.9614135805       13.4704409166
H         8.2855920637        0.3163523453       13.7343535340
H         6.5015254554        1.7755044825       15.7682854441
H         7.3141178474        0.2187284659       15.9640596374
H         9.1210864811        3.2632047391       18.3573435802
H         6.5386634713        1.6101549214       18.3019076303
H         8.0591758314        1.0784212357       19.0122062114
H         6.5005035867        1.9701757109       20.7424708704
H         7.9987133788        2.9071628592       20.6687857999
H         5.2858566108        3.7110093457       19.4867619293
H         6.1091860939        4.4732710791       20.8419602064
H         6.3830633753        5.7830647558       18.7019221991
H         7.9295687918        5.2687229533       19.3631171844
H         6.4139895438        3.8991370492       17.0723525015
H         7.8766483012        4.8703114279       16.9059731329
H         9.4965342405        0.2585912957       17.6589934839
H        11.7274975358        2.1603366006       16.7522096024
H        10.9596899966        2.1676928228       18.3406330000
H        13.1513607616        1.0012004113       18.4245902363
H        11.8402212011       -0.1025200595       18.8283424555
H        13.2302946870        0.1056872656       16.0959298320
H        13.4090992747       -1.2079559342       17.2524145907
H        11.7626517720       -1.8101348577       15.4292987440
H        11.0031887108       -1.7970857135       17.0144541656
H         9.5609604481       -0.6547217456       15.3568339986
H        10.8678442326        0.4564884562       14.9245764043
H         9.8928618200        6.3615310249       14.1843099395
H        10.6899079250        4.8906781353       12.3445412634
H        11.9651392783        4.1461086787       13.4503725938
H        10.8763675846        6.2435152604       16.4269147451
H        12.2099523228        5.1912184091       15.8188980162
H        10.6440238015        4.5068321649       16.3336949974
C         7.3002179340        2.9521385703        5.1685385464
C         6.8239832648        2.5788294454        6.4390609316
C         5.4577243626        2.4658581497        6.7170416983
C         4.4990683173        2.7296985071        5.7376510406
C         4.9450112490        3.1131185553        4.4724186029
C         6.3172178335        3.2108980669        4.1922186277
C         5.0399071055        2.0745027410        8.1010408881
C         3.9527505748        3.4579655607        3.3953253957
C         9.3537880146        3.9219135390        3.6325452271
C         8.7376029240        5.1696630755        3.4288786501
C         9.1877199436        6.0718511650        2.4524181420
C        10.2758668075        5.7566485475        1.6398418504
C        10.9187218646        4.5290777347        1.8424393985
C        10.4733339944        3.6403488357        2.8237737258
C         8.5252657022        7.4169188814        2.3391853607
C        12.1249487010        4.2051763563        1.0092516370
C         9.1304367124        1.3290434923        4.4362419680
C         8.9151108929        0.8663820079        3.1254771639
C         8.9895421372       -0.4912456717        2.7922680089
C         9.2793062602       -1.4519259288        3.7714689879
C         9.4854311122       -1.0147355990        5.0873979135
C         9.4087838038        0.3478973296        5.4057552309
C         8.8241724309       -0.8758853121        1.3437214057
C         9.8625373444       -1.9819395724        6.1830635207
C         9.8417497458        3.3819986109        6.0962703662
C        11.1347102257        2.8804493915        6.3412335094
C        11.9488127581        3.3904608062        7.3686382427
C        11.4984607959        4.4213252925        8.1874969982
C        10.2249620129        4.9454923742        7.9461374159
C         9.4203627306        4.4442566156        6.9218840963
C        13.3484398761        2.8689386843        7.5421178004
C         9.7601440589        6.0624052362        8.8241358411
B         8.9079036489        2.9012934322        4.8327964277
H         7.5372659920        2.3672385713        7.2349839406
H         3.4399716379        2.6624309188        5.9602809140
H         6.6216354016        3.4986511347        3.1861242048
H         7.8824760193        5.4509556161        4.0426285086
H        10.6116268197        6.4458503892        0.8721751866
H        11.0048578034        2.6996032917        2.9563163069
H         8.6793738292        1.5820964001        2.3387664680
H         9.3524666370       -2.5047033310        3.5167965996
H         9.5670802254        0.6485066748        6.4409404808
H        11.5255975573        2.0765285577        5.7169041521
H        12.1235675613        4.8105202478        8.9852898577
H         8.4394860771        4.8877609378        6.7616733202
F         9.8777558212        5.7340621961       10.1580453181
F        10.5119560444        7.2017420932        8.6770652669
F         8.4655571150        6.4135282353        8.6086079041
F        14.0903538167        3.1228947033        6.4028603410
F        14.0137352770        3.4255450166        8.5993946913
F        13.4045788820        1.5149789685        7.7240902567
F         9.1896625397       -1.7348235534        7.3562562940
F        11.2112795681       -1.9273147075        6.4757106168
F         9.6058270092       -3.2815988240        5.8767943263
F         8.6365290627       -2.2227063083        1.1755483452
F         9.9259763576       -0.5157825969        0.5908070447
F         7.7622863152       -0.2365707277        0.7412578153
F        12.4217658425        2.8798954296        0.9555427007
F        13.2607557689        4.8135274423        1.4730633304
F        11.9540190384        4.6314353003       -0.2950455818
F         8.8154430710        8.0789878863        1.1807505479
F         8.9030763550        8.2442357737        3.3814303691
F         7.1635026852        7.3381229015        2.4263892447
F         3.9900220380        2.5727255199        2.3480557809
F         4.2186522522        4.6989938629        2.8677731981
F         2.6542681656        3.4706665290        3.8275883550
F         5.4629976814        2.9847910397        9.0477119115
F         3.6884753156        1.9402884369        8.2412616299
F         5.5916291791        0.8663097139        8.4640034490
C         3.6917401120        9.3886670122       14.6968798631
C         4.1674220916        9.7647975395       13.4269247249
C         5.5336180520        9.8745606798       13.1481750940
C         6.4925757538        9.6121523742       14.1276692219
C         6.0465217010        9.2270179210       15.3923555519
C         4.6744667543        9.1273339768       15.6722302427
C         5.9504049405       10.2616063487       11.7630548652
C         7.0370908977        8.8782978497       16.4690033099
C         1.6331875243        8.4244709882       16.2344195516
C         2.2376786205        7.1695425808       16.4308567448
C         1.7927221404        6.2720193974       17.4147702230
C         0.7173710947        6.6057099606       18.2407373881
C         0.0794210524        7.8402549254       18.0416032274
C         0.5236913773        8.7211368616       17.0530590674
C         2.4573616164        4.9215126320       17.5250090324
C        -1.1308225964        8.1594082110       18.8768106511
C         1.8616063594       11.0107976939       15.4233577338
C         2.0806079091       11.4734575495       16.7336403382
C         2.0032973429       12.8299227106       17.0694581499
C         1.7125954547       13.7911604350       16.0909786709
C         1.5053016459       13.3538042249       14.7754872090
C         1.5799452087       11.9916396486       14.4554292254
C         2.1664153732       13.2117478552       18.5189827400
C         1.1270234446       14.3197197843       13.6802430485
C         1.1571032121        8.9501634265       13.7652033253
C        -0.1396014305        9.4413229621       13.5262080152
C        -0.9546691518        8.9218206177       12.5044735443
C        -0.5047057473        7.8947539117       11.6843871986
C         0.7744010924        7.3839532977       11.9175397422
C         1.5832334381        7.8931425051       12.9345256008
C        -2.3434357342        9.4573612486       12.3235713734
C         1.2349690678        6.2698144941       11.0364392595
B         2.0843788861        9.4382645713       15.0297161264
H         3.4541924493        9.9802974277       12.6316447199
H         7.5515147078        9.6798824666       13.9044008836
H         4.3697378974        8.8362340253       16.6772906194
H         3.0820108408        6.8807606576       15.8053522763
H         0.3820962726        5.9208134619       19.0128991984
H        -0.0002300725        9.6667917613       16.9219240308
H         2.3210159637       10.7582477778       17.5190968334
H         1.6383326710       14.8439126993       16.3455400973
H         1.4182406263       11.6924227042       13.4202225027
H        -0.5325476669       10.2455409849       14.1487175655
H        -1.1319097777        7.5015233474       10.8902742974
H         2.5699864804        7.4593269495       13.0848876214
F         1.1140313913        6.6005914737        9.7040840048
F         0.4797685432        5.1333193202       11.1854022732
F         2.5283851820        5.9193251424       11.2542415784
F        -3.0992447658        9.2140644491       13.4592039532
F        -3.0207905733        8.9114163023       11.2667564333
F        -2.3485080691       10.8142405774       12.1402140910
F         1.8002427372       14.0691928377       12.5072490310
F        -0.2213489738       14.2616857064       13.3880304138
F         1.3841929025       15.6182974174       13.9864670500
F         2.3536458861       14.5577434517       18.6885269883
F         1.0643914864       12.8500170509       19.2723166662
F         3.2277366522       12.5711704771       19.1221071937
F        -1.4366354862        9.4890248444       18.9738837095
F        -2.2634938783        7.5331098592       18.3940811099
F        -0.9641024960        7.7021008738       20.1644880486
F         2.1732921172        4.2562256638       18.6826720183
F         2.0827101866        4.0925574555       16.4813594277
F         3.8209839147        4.9972062513       17.4369366630
F         7.0004365774        9.7615912488       17.5164504108
F         6.7714150119        7.6359389972       16.9954823772
F         8.3367885731        8.8637704564       16.0363391121
F         5.5269915239        9.3499132813       10.8168392889
F         7.3020006643       10.3938769878       11.6223721585
F         5.3984370399       11.4684997944       11.3994049773
310
SCF Energy = -2189.7037214883 (a.u.)
Lowest Frequencies = 29.860046  30.948127  33.959800 (cm^-1)
Irotint / [1-(propene)][BArF4]
C         1.6288460424       10.0123666906        7.9249305664
C         0.4038481096       10.9069920848        7.6486912539
C        -0.3954478984       11.1391003545        8.9426924570
C         0.4843820969       11.7761848518       10.0284508329
C         1.7392011997       10.9315502755       10.2931620907
C         2.5349146926       10.6441174906        9.0044461083
C         3.9734591271        8.5066427400        6.9351202490
C         4.8040504949        7.9752083619        5.7503161927
C         5.9829194668        7.1085647741        6.2269644517
C         5.5086357960        5.9663539905        7.1288929302
C         4.7298118670        6.5163314545        8.3266801245
C         3.5363571056        7.3626213468        7.8649622581
C         3.3610779521       11.1258942620        5.7830198323
C         3.6246969990       11.0794488261        4.2700548210
C         2.8547405500        9.3895052806        1.8996904416
C         3.6257970760       10.3574314889        0.9869938621
C         4.0028095996        9.6721907389       -0.3388976974
C         4.7760436153        8.3642990331       -0.1188313975
C         4.0326887085        7.4217111656        0.8372585164
C         3.6808707159        8.1145922448        2.1637567455
C         0.9898182120       11.4359505555        2.8938657015
C        -0.2960406635       10.6969496654        2.4654720678
C        -1.3796314704       11.6688126265        1.9786701683
C        -1.6897380231       12.7282597071        3.0424906348
C        -0.4164032825       13.4724104031        3.4630970300
C         0.6713819445       12.5016300205        3.9605386297
Rh        1.2251431564        8.6846168413        4.8114015586
P         2.2298755495       10.1693817067        3.4601959407
P         2.5328568922        9.5532561864        6.3673485207
C         0.5925517517        6.7873311553        6.0037897910
C        -0.4301018041        7.3072698447        5.2321284072
C        -1.6399268660        8.0405949318        5.7288430665
H         1.2554668132        9.0448059027        8.2996445349
H         0.7362056409       11.8808062253        7.2570823059
H        -0.2269342976       10.4527787811        6.8705384124
H        -0.7929644599       10.1771177058        9.3014192373
H        -1.2678109945       11.7735865530        8.7305428856
H        -0.0879122463       11.8997152253       10.9598645357
H         0.7802811613       12.7863449594        9.7090926442
H         2.3983157304       11.4450085998       11.0101320335
H         1.4461906214        9.9782902497       10.7581951841
H         3.3883035942        9.9933766765        9.2384252237
H         2.9511713342       11.5849180322        8.6210036800
H         4.6009084365        9.2071224696        7.5136986987
H         5.1863806623        8.8065238997        5.1417432043
H         4.1445143856        7.3839300158        5.0969679147
H         6.7010860029        7.7322039225        6.7760851019
H         6.5172204165        6.7192173216        5.3470830309
H         6.3578323106        5.3620406785        7.4746468114
H         4.8643790501        5.2882840542        6.5525276523
H         4.3658782494        5.6969921885        8.9633933204
H         5.3970965577        7.1270508014        8.9529004284
H         3.0058836088        7.7592629728        8.7376760424
H         2.8301302918        6.7136544532        7.3320351462
H         4.2833732676       11.3001345315        6.3551626590
H         2.6696756673       11.9444608292        6.0255312558
H         4.5461475135       10.5265292593        4.0433212177
H         3.7367068711       12.0847173883        3.8391237052
H         1.9279727232        9.0846269121        1.3824035705
H         4.5399844420       10.6833537915        1.5002848357
H         3.0405078892       11.2619475369        0.7839394193
H         4.5955534547       10.3703578761       -0.9483810985
H         3.0820737127        9.4555203005       -0.9030142905
H         5.7708716974        8.5907197304        0.2894880484
H         4.9455892758        7.8628178063       -1.0830246989
H         4.6342079450        6.5240664612        1.0351340762
H         3.1037011387        7.0708117519        0.3642572056
H         4.6069006530        8.3805924305        2.6955659321
H         3.1268848442        7.4312408764        2.8245923965
H         1.4249318258       11.9402390093        2.0148938027
H        -0.6779010111       10.1360251899        3.3390134918
H        -0.0789919667        9.9584599368        1.6855616257
H        -2.2837609779       11.1064178099        1.7075677874
H        -1.0351868069       12.1613740639        1.0560074445
H        -2.1432780692       12.2453343704        3.9208289360
H        -2.4396264990       13.4341635519        2.6579922499
H        -0.6347777191       14.2064853700        4.2522454849
H        -0.0286048499       14.0479054947        2.6102129764
H         1.5770645170       13.0661853162        4.2255565617
H         0.3231661556       11.9991353382        4.8760743103
H        -0.4873663360        6.9520319430        4.1874857843
H         1.2551599657        6.0137271119        5.6178418190
H         0.5918281034        6.9341739249        7.0833015527
H        -1.8915001396        8.8924040248        5.0835126715
H        -2.5161741823        7.3712656023        5.7135975345
H        -1.5075652298        8.4031936981        6.7524615265
C         9.2898742117        2.2115937012       11.7712432232
C        10.5255664823        1.3319569657       12.0494287025
C        11.3221133351        1.0993397495       10.7544221558
C        10.4424481956        0.4533911618        9.6745607040
C         9.1814875310        1.2895053813        9.4108149692
C         8.3850925406        1.5774341762       10.6986773058
C         6.9801862976        3.7420487120       12.8078169524
C         6.1298781786        4.2007577866       14.0096048645
C         4.9914494302        5.1392503167       13.5753197482
C         5.5279772662        6.3415486995       12.7940952542
C         6.3257499703        5.8742943622       11.5734517248
C         7.4733431162        4.9403540617       11.9786944481
C         7.6403620176        1.1292692414       14.0015042113
C         7.4434761320        1.2047267659       15.5246765176
C         8.2183395912        2.9132468678       17.8639403588
C         7.4679646255        1.9438497940       18.7934716888
C         7.0955217466        2.6349660542       20.1187932516
C         6.3061861691        3.9326744386       19.8974616713
C         7.0322008999        4.8754112589       18.9282095565
C         7.3727443165        4.1753459917       17.6015903109
C        10.0600201004        0.8465766284       16.8865380534
C        11.3067835689        1.5387683895       17.4717174196
C        12.3300663915        0.5189428188       17.9888436265
C        12.7281307735       -0.4667372210       16.8843357286
C        11.4929882434       -1.1649739308       16.3036342345
C        10.4595505454       -0.1497396013       15.7802489812
Rh        9.7338801661        3.6642445588       14.8499771344
P         8.8535942918        2.1324338737       16.3015157897
P         8.4193409409        2.6900646692       13.3404804498
C        11.0462155676        4.7417468632       13.3600246881
C        10.5992347415        5.5692210509       14.3855148500
C        11.1333738291        5.4158371404       15.7748858644
H         9.6564783863        3.1748782080       11.3832996956
H        10.2072675282        0.3583309619       12.4526907840
H        11.1563712940        1.8022211014       12.8186760066
H        11.7111974716        2.0626553785       10.3907555967
H        12.1996935449        0.4715128182       10.9649340076
H        11.0129202286        0.3304334975        8.7417783437
H        10.1539321366       -0.5578134593        9.9970158670
H         8.5259836162        0.7710384761        8.6948809052
H         9.4710368318        2.2435448259        8.9443506655
H         7.5346952653        2.2320993772       10.4646557291
H         7.9655575760        0.6400612571       11.0820941514
H         6.3609217851        3.0937314261       12.1645975632
H         5.7083282918        3.3328520136       14.5358223671
H         6.7858525880        4.7198491268       14.7252094723
H         4.2766013837        4.5875413045       12.9498808978
H         4.4355303460        5.4643842452       14.4678502641
H         4.7068917534        6.9991952656       12.4778284852
H         6.1715145732        6.9473265524       13.4474845922
H         6.7326278348        6.7325436023       11.0193296237
H         5.6551630648        5.3456601907       10.8801897558
H         7.9936758662        4.5886092016       11.0808491880
H         8.2095467754        5.5056356255       12.5704583562
H         6.6936091351        0.9356842301       13.4770819837
H         8.3241335938        0.3092806767       13.7429058371
H         6.5281347929        1.7585233778       15.7743156238
H         7.3465544929        0.2046888953       15.9713037847
H         9.1435700507        3.2368280504       18.3713015811
H         6.5523378046        1.5985371972       18.2939913126
H         8.0685338560        1.0498687958       19.0005523813
H         6.5156698745        1.9354196536       20.7390011748
H         8.0187647357        2.8652367870       20.6732482233
H         5.3107451991        3.6935875601       19.4979373728
H         6.1389993867        4.4387010643       20.8601212605
H         6.4214470154        5.7669330356       18.7319732384
H         7.9638841364        5.2360016555       19.3893210294
H         6.4419394964        3.8950867908       17.0854603560
H         7.9083778377        4.8613775379       16.9276105714
H         9.5530024633        0.2853050032       17.6890928784
H        11.7694833036        2.1519103583       16.6808729866
H        11.0268080208        2.2252605406       18.2793407866
H        13.2106198949        1.0474503214       18.3783673224
H        11.8992793502       -0.0331286074       18.8386035699
H        13.2590201846        0.0709975932       16.0853143607
H        13.4376015559       -1.2053474710       17.2826380302
H        11.7732804916       -1.8497781324       15.4900009856
H        11.0277674023       -1.7881441237       17.0805086307
H         9.5753661221       -0.6857425354       15.4054209779
H        10.8829239995        0.4073846576       14.9298521774
H         9.8806860527        6.3655350317       14.1899284427
H        10.6851202621        4.9016474770       12.3470391473
H        11.9669919182        4.1651386824       13.4504786902
H        10.8704198931        6.2516853459       16.4305038759
H        12.2097898363        5.2095327483       15.8180713925
H        10.6503852931        4.5135086758       16.3357546215
C         7.3007044514        2.9493199496        5.1693005529
C         6.8242885593        2.5740808655        6.4392557405
C         5.4580776115        2.4596016322        6.7163624891
C         4.4995100888        2.7212177514        5.7360950334
C         4.9453091120        3.1091745427        4.4720095477
C         6.3178391431        3.2095658968        4.1931358627
C         5.0399760940        2.0713998910        8.1013207866
C         3.9529353342        3.4566045995        3.3952414483
C         9.3579715229        3.9210088392        3.6366324886
C         8.7456257564        5.1714249439        3.4374564488
C         9.1947106789        6.0735971521        2.4605186852
C        10.2806340437        5.7563928273        1.6454696340
C        10.9207614665        4.5270018547        1.8449169464
C        10.4746851753        3.6368942054        2.8248221262
C         8.5287895575        7.4167012459        2.3421047487
C        12.1255385584        4.2037851441        1.0104852673
C         9.1317977314        1.3276204822        4.4377504218
C         8.9167851155        0.8652449667        3.1268062955
C         8.9905113628       -0.4922599005        2.7928076601
C         9.2792762582       -1.4534209159        3.7719014605
C         9.4849956194       -1.0162905967        5.0878205322
C         9.4096728768        0.3461091170        5.4067414636
C         8.8252894457       -0.8758154782        1.3439977501
C         9.8613169651       -1.9827684749        6.1837883406
C         9.8406989548        3.3784735249        6.1005615695
C        11.1348354379        2.8793786970        6.3436113748
C        11.9495068396        3.3912449438        7.3693215772
C        11.4993659409        4.4229482820        8.1873595978
C        10.2237627376        4.9434268226        7.9489165171
C         9.4173755452        4.4384453899        6.9280410953
C        13.3490177638        2.8699150172        7.5422352912
C         9.7593437481        6.0609650727        8.8261002625
B         8.9090953387        2.8994903154        4.8352211527
H         7.5373491595        2.3623435294        7.2355356547
H         3.4405350239        2.6513965273        5.9586527272
H         6.6229803671        3.5007071806        3.1882346145
H         7.8917028080        5.4528448779        4.0528452857
H        10.6148914127        6.4444144663        0.8761524884
H        11.0039450522        2.6940827276        2.9531816241
H         8.6819963392        1.5814394199        2.3404404531
H         9.3521589497       -2.5062386327        3.5173258062
H         9.5684958877        0.6459906639        6.4420925473
H        11.5268698707        2.0766832691        5.7184398269
H        12.1253136164        4.8139351609        8.9836540817
H         8.4338208046        4.8775313607        6.7715167277
F         9.8772276646        5.7335884622       10.1595329253
F        10.5117050709        7.1991882242        8.6799884643
F         8.4652109789        6.4134491630        8.6086885669
F        14.0905662789        3.1225262175        6.4025459414
F        14.0139997575        3.4256483642        8.5995229999
F        13.4045982839        1.5154103303        7.7240973083
F         9.1895031750       -1.7349397153        7.3565821328
F        11.2103176998       -1.9263747150        6.4759598273
F         9.6052272691       -3.2824025865        5.8772161016
F         8.6369416927       -2.2229161390        1.1756018882
F         9.9265018134       -0.5158557537        0.5908697388
F         7.7627606361       -0.2368323952        0.7416073790
F        12.4219235152        2.8784286859        0.9555642903
F        13.2609363609        4.8130618622        1.4728634712
F        11.9539220568        4.6313034524       -0.2945477636
F         8.8159850196        8.0783903038        1.1815783175
F         8.9051055051        8.2446073140        3.3828487985
F         7.1660903031        7.3376511250        2.4269246747
F         3.9898836068        2.5724217587        2.3476299202
F         4.2186661865        4.6984026707        2.8680756310
F         2.6539660924        3.4699473529        3.8275070158
F         5.4629865508        2.9839966681        9.0471278026
F         3.6883180805        1.9399452453        8.2414415805
F         5.5909824859        0.8640530812        8.4646574388
C         3.6903401007        9.3831288717       14.6947415064
C         4.1657940420        9.7594606646       13.4247184545
C         5.5320925102        9.8712425112       13.1467366128
C         6.4909409289        9.6094857565       14.1266038444
C         6.0453698659        9.2231834131       15.3910869835
C         4.6732264988        9.1209877401       15.6696981841
C         5.9496468166       10.2605490245       11.7622003836
C         7.0366904598        8.8773545720       16.4683978777
C         1.6314942526        8.4207226094       16.2330324495
C         2.2358932269        7.1658424206       16.4293152693
C         1.7916717020        6.2693215304       17.4140366275
C         0.7167712166        6.6023474013       18.2406483623
C         0.0788190623        7.8365788332       18.0409818503
C         0.5222351850        8.7171943989       17.0518873277
C         2.4574953398        4.9201565574       17.5247779784
C        -1.1309890244        8.1565525144       18.8757295550
C         1.8611680925       11.0077806737       15.4231431477
C         2.0803537508       11.4708516803       16.7334520090
C         2.0030230835       12.8275805653       17.0690753631
C         1.7114961720       13.7881432528       16.0902258188
C         1.5045121442       13.3508983300       14.7746309878
C         1.5793047102       11.9885047571       14.4548284945
C         2.1662156621       13.2111365850       18.5184339399
C         1.1267193994       14.3181676533       13.6798212005
C         1.1549653933        8.9466642073       13.7659384327
C        -0.1412943159        9.4383201386       13.5264042956
C        -0.9564001188        8.9188547521       12.5048490722
C        -0.5073771673        7.8906011544       11.6857756445
C         0.7717080294        7.3799471021       11.9196055275
C         1.5806712570        7.8889128029       12.9362087442
C        -2.3440878824        9.4563470664       12.3235059502
C         1.2337966105        6.2678288038       11.0376600732
B         2.0832187885        9.4347351092       15.0291913547
H         3.4521901984        9.9736062072       12.6291636016
H         7.5497774262        9.6792230589       13.9036609539
H         4.3679835668        8.8280445383       16.6737530718
H         3.0801148072        6.8764264695       15.8039897802
H         0.3821029798        5.9174098914       19.0131271680
H        -0.0023347679        9.6624039863       16.9205549553
H         2.3207947342       10.7553809867       17.5186882381
H         1.6359348095       14.8407632803       16.3447870572
H         1.4169114821       11.6886483809       13.4197666288
H        -0.5343463064       10.2427456400       14.1485760666
H        -1.1339867787        7.4974464091       10.8911943878
H         2.5671847769        7.4546282060       13.0868753186
F         1.1128406048        6.6001251401        9.7047739389
F         0.4794468394        5.1316880501       11.1854991180
F         2.5277506357        5.9191204344       11.2543288142
F        -3.0995729116        9.2140258173       13.4593924210
F        -3.0211846160        8.9112710604       11.2664945549
F        -2.3483948521       10.8136719417       12.1402316046
F         1.7999874049       14.0686159495       12.5069731860
F        -0.2216071797       14.2614795387       13.3880289917
F         1.3841570121       15.6168143484       13.9866017275
F         2.3534755643       14.5571434808       18.6881784534
F         1.0643570881       12.8497196663       19.2724848601
F         3.2277941566       12.5712114201       19.1219070165
F        -1.4357600280        9.4855928005       18.9732364245
F        -2.2641097011        7.5324810898       18.3939489708
F        -0.9642556813        7.7009224937       20.1640197114
F         2.1733147166        4.2557098102       18.6827267032
F         2.0828357811        4.0919614811       16.4811457712
F         3.8210645719        4.9968971142       17.4369895823
F         7.0002346495        9.7614673838       17.5157939364
F         6.7716166572        7.6355549632       16.9955350770
F         8.3366652423        8.8638075199       16.0362740442
F         5.5266981713        9.3496375491       10.8162492918
F         7.3017113702       10.3937509869       11.6224901114
F         5.3981361057       11.4680933876       11.3994792518
310
SCF Energy = -2189.7021502390 (a.u.)
Lowest Frequencies = i45.021088  17.590886  22.271625 (cm^-1)
TS(Irotint-Irot) / [1-(propene)][BArF4]
C         1.6276215520       10.0329918731        7.8992760383
C         0.4009980067       10.9293828813        7.6379671304
C        -0.3941914284       11.1503894563        8.9375376598
C         0.4878237869       11.7739918358       10.0290720063
C         1.7351116441       10.9171060602       10.2865371480
C         2.5312646461       10.6420117092        8.9957211329
C         3.9684256924        8.5341200197        6.9266437645
C         4.8392715067        8.0273981492        5.7616400778
C         5.9913174473        7.1409493210        6.2660805433
C         5.4692317050        5.9744878069        7.1093651934
C         4.6355938801        6.4900474975        8.2859583996
C         3.4750775455        7.3706663018        7.8029879912
C         3.4154780061       11.1870013236        5.8086215729
C         3.6671802453       11.1722720661        4.2927965725
C         2.8695327594        9.4491790558        1.9364037912
C         3.6034466812       10.4051244040        0.9820705676
C         3.9574663483        9.6914954760       -0.3356858361
C         4.7465941863        8.3944960211       -0.1072781647
C         4.0344930241        7.4686844665        0.8878509565
C         3.7171936013        8.1904076220        2.2075672011
C         1.0212102681       11.5281156714        2.9247932076
C        -0.2426280827       10.7893518656        2.4303645146
C        -1.3278516247       11.7672811131        1.9596405523
C        -1.6837869369       12.7693200237        3.0636294383
C        -0.4344432598       13.5173957959        3.5433263984
C         0.6595226139       12.5458957533        4.0247197256
Rh        1.2601321533        8.7609547374        4.7645899911
P         2.2658465099       10.2649507134        3.4866385452
P         2.5580235439        9.6090838070        6.3425718590
C         0.8000369167        6.5296236565        5.1772147748
C        -0.3385297877        7.2359752246        4.8277120616
C        -1.4470720478        7.6441738500        5.7525186843
H         1.2543234395        9.0562440010        8.2493880227
H         0.7289435066       11.9067821670        7.2518615545
H        -0.2360526634       10.4775410291        6.8627125866
H        -0.7932903977       10.1858998015        9.2872422338
H        -1.2654387936       11.7889495027        8.7332859041
H        -0.0847997637       11.8934612900       10.9609037296
H         0.7915645451       12.7848347639        9.7193180993
H         2.3975588014       11.4163727882       11.0106052737
H         1.4343097435        9.9605679295       10.7393945909
H         3.3784253676        9.9813252779        9.2241071846
H         2.9569282280       11.5854595340        8.6295414702
H         4.5818024754        9.2075405140        7.5504165011
H         5.2496759238        8.8711808321        5.1891474767
H         4.2024487621        7.4555158979        5.0704834523
H         6.6856215845        7.7443723954        6.8664444503
H         6.5662346842        6.7750501775        5.4018667476
H         6.2993770149        5.3564738411        7.4773947017
H         4.8516635402        5.3173193637        6.4817298132
H         4.2352114590        5.6536438401        8.8772467467
H         5.2774311550        7.0718997502        8.9644745726
H         2.9222490273        7.7517101716        8.6681570488
H         2.7714004765        6.7568596130        7.2234838211
H         4.3437574547       11.3293786269        6.3795264433
H         2.7397666061       12.0106587938        6.0774420249
H         4.5891875290       10.6277742567        4.0475345104
H         3.7675012031       12.1852520156        3.8770658639
H         1.9341148419        9.1203560478        1.4508054387
H         4.5233339951       10.7599146941        1.4646180366
H         2.9968033001       11.2929427866        0.7704375419
H         4.5302384934       10.3814172035       -0.9729513373
H         3.0260897270        9.4556555594       -0.8737872536
H         5.7494152851        8.6361421435        0.2714473869
H         4.8954495782        7.8736436883       -1.0647094816
H         4.6465304008        6.5788898169        1.0894734465
H         3.0945205902        7.1022477421        0.4485952701
H         4.6560336168        8.4781704206        2.7041664081
H         3.1883313717        7.5198366237        2.9004212012
H         1.4751880524       12.0723311608        2.0794998730
H        -0.6401494957       10.1829180070        3.2654867085
H         0.0051843659       10.0903475988        1.6230823605
H        -2.2149412554       11.2049347398        1.6372778960
H        -0.9661742039       12.3093629626        1.0718641146
H        -2.1460532443       12.2378866210        3.9087350488
H        -2.4396557221       13.4773684263        2.6953665252
H        -0.6815427294       14.2144342373        4.3570478622
H        -0.0400553864       14.1334491804        2.7229622872
H         1.5495640970       13.1131995939        4.3335759665
H         0.3004014230       12.0018907742        4.9117205274
H        -0.5631704985        7.3130760726        3.7502680696
H         1.4001517749        6.0119713656        4.4294511113
H         0.9760131766        6.2443051403        6.2141540062
H        -1.8217714436        8.6525482540        5.5293613729
H        -2.3024707479        6.9566447670        5.6481899256
H        -1.1171523810        7.6181857453        6.7944356004
C         9.2779436926        2.2082979304       11.7763404200
C        10.5127261596        1.3271476574       12.0535858707
C        11.3046270895        1.0889369069       10.7567145985
C        10.4203368544        0.4409144040        9.6818915736
C         9.1596947863        1.2780304444        9.4195039237
C         8.3684078584        1.5720180798       10.7091909548
C         6.9711396796        3.7437103021       12.8138731664
C         6.1386177636        4.2223558170       14.0206499613
C         4.9992014070        5.1615686235       13.5908336885
C         5.5303704223        6.3492336290       12.7839331095
C         6.3065856209        5.8607462157       11.5575502917
C         7.4569197885        4.9284260841       11.9606429731
C         7.6359514474        1.1354081479       14.0166128409
C         7.4441541908        1.2170824722       15.5401042324
C         8.2311173004        2.9267209148       17.8731714281
C         7.4797091093        1.9588407001       18.8037854365
C         7.1099233623        2.6508980775       20.1293628224
C         6.3204428098        3.9486100594       19.9081653695
C         7.0471831611        4.8910013920       18.9390545728
C         7.3878187992        4.1909408370       17.6123843126
C        10.0707334810        0.8622651867       16.8884984998
C        11.3328870342        1.5589254026       17.4342318534
C        12.3566658703        0.5428876599       17.9574594152
C        12.7287744306       -0.4703030320       16.8688074726
C        11.4792117655       -1.1700759676       16.3214193390
C        10.4441299434       -0.1578385433       15.7949268586
Rh        9.7315775832        3.6737835546       14.8478649907
P         8.8588127273        2.1450999903       16.3076190420
P         8.4127343766        2.6937898083       13.3461881699
C        11.0441276089        4.7385585056       13.3508263552
C        10.5981126997        5.5747277409       14.3697547380
C        11.1332339947        5.4324884361       15.7600896497
H         9.6449853758        3.1696064720       11.3839948253
H        10.1936238102        0.3553435608       12.4606280081
H        11.1468074819        1.7984065961       12.8195517179
H        11.6940368899        2.0504013763       10.3885971013
H        12.1817522330        0.4601516751       10.9663323552
H        10.9875660449        0.3136511109        8.7476839812
H        10.1313562192       -0.5687430353       10.0085769456
H         8.5008549919        0.7579676060        8.7077959298
H         9.4490987824        2.2300058661        8.9486223526
H         7.5180009596        2.2269403037       10.4760803222
H         7.9490107561        0.6369487939       11.0977199323
H         6.3416546708        3.0880184529       12.1883259814
H         5.7200362522        3.3632203116       14.5635023588
H         6.8069847402        4.7463766266       14.7212101730
H         4.2705644093        4.6057910820       12.9852949907
H         4.4607072646        5.5035453633       14.4877785808
H         4.7083683804        7.0078327625       12.4722880756
H         6.1881377607        6.9596388652       13.4185820243
H         6.7094742815        6.7095723218       10.9860853617
H         5.6232687700        5.3258960830       10.8813040488
H         7.9648611707        4.5625795256       11.0610930523
H         8.2024676801        5.5002029736       12.5342903424
H         6.6874638363        0.9391446019       13.4963655219
H         8.3192209569        0.3144825185       13.7595431801
H         6.5310145185        1.7740984572       15.7906888043
H         7.3461910802        0.2190794431       15.9910235892
H         9.1586238122        3.2469275179       18.3786313956
H         6.5625636181        1.6152709610       18.3057757810
H         8.0787065489        1.0635921455       19.0103545453
H         6.5308121090        1.9517049345       20.7507372442
H         8.0339352639        2.8811652722       20.6823531970
H         5.3249861737        3.7094063621       19.5084891364
H         6.1532887139        4.4548759545       20.8707281262
H         6.4372744393        5.7832681036       18.7429264720
H         7.9790106059        5.2506356990       19.4004426521
H         6.4569215990        3.9128102396       17.0952859158
H         7.9247931920        4.8767080225       16.9392471846
H         9.5781790097        0.3188752108       17.7121065648
H        11.7854291570        2.1483775297       16.6198047065
H        11.0732415572        2.2676822508       18.2293745417
H        13.2476128884        1.0727021591       18.3206158281
H        11.9360170145        0.0133847851       18.8264266433
H        13.2525605195        0.0452104198       16.0506429879
H        13.4372788216       -1.2068416603       17.2727151369
H        11.7420070983       -1.8724524627       15.5170176303
H        11.0218682039       -1.7749596669       17.1173073002
H         9.5502866038       -0.6949728930       15.4455701429
H        10.8573034750        0.3793455432       14.9269113801
H         9.8799903181        6.3698361448       14.1679833097
H        10.6832274590        4.8907240617       12.3366192954
H        11.9646309979        4.1621764542       13.4455731959
H        10.8698715601        6.2731061220       16.4094972167
H        12.2099652340        5.2277749039       15.8041689632
H        10.6518935397        4.5337814217       16.3275726325
C         7.2984395462        2.9486763263        5.1703538747
C         6.8216691884        2.5734694546        6.4399633542
C         5.4556329698        2.4606563960        6.7171788312
C         4.4968597971        2.7234212036        5.7375113218
C         4.9435441891        3.1092084457        4.4730039552
C         6.3159112457        3.2089125542        4.1940927713
C         5.0390803016        2.0717913928        8.1019932355
C         3.9527985655        3.4565957028        3.3956172964
C         9.3565543833        3.9204187360        3.6389487257
C         8.7443045211        5.1710036261        3.4396634282
C         9.1934074951        6.0726397125        2.4619867767
C        10.2784940289        5.7544035531        1.6463240547
C        10.9190885485        4.5253474671        1.8458653881
C        10.4731120663        3.6361128108        2.8267045938
C         8.5289749647        7.4166570119        2.3434217511
C        12.1243166367        4.2030842095        1.0112574104
C         9.1270738844        1.3259570851        4.4393493042
C         8.9121264891        0.8640092006        3.1282492058
C         8.9887024727       -0.4931280797        2.7933548487
C         9.2788336805       -1.4545540132        3.7718882856
C         9.4830988752       -1.0178322556        5.0881731464
C         9.4051975062        0.3441891069        5.4079886938
C         8.8250244956       -0.8761464294        1.3442809107
C         9.8609573344       -1.9844952648        6.1835809655
C         9.8365476640        3.3742791653        6.1050078093
C        11.1320828233        2.8772697855        6.3454671448
C        11.9482162824        3.3901845015        7.3696254350
C        11.4982994122        4.4221252211        8.1880072375
C        10.2206057956        4.9391107956        7.9532500995
C         9.4118295288        4.4312367575        6.9357383295
C        13.3486337485        2.8695330262        7.5418544692
C         9.7577609944        6.0598899438        8.8278893259
B         8.9063951498        2.8980729944        4.8373031538
H         7.5341564550        2.3603364060        7.2363553192
H         3.4378207366        2.6566531780        5.9607833335
H         6.6210747442        3.4997834593        3.1891680969
H         7.8904799644        5.4529163488        4.0551511480
H        10.6118134551        6.4418747950        0.8760932243
H        11.0017577275        2.6930978443        2.9553608819
H         8.6757419352        1.5802238408        2.3424140091
H         9.3538961611       -2.5071872466        3.5169802211
H         9.5626543467        0.6435513876        6.4437244326
H        11.5239174516        2.0756709686        5.7188089524
H        12.1261350068        4.8159906411        8.9815147459
H         8.4267403263        4.8682397772        6.7824476164
F         9.8768059686        5.7333715386       10.1608437246
F        10.5098456695        7.1986390707        8.6815085186
F         8.4645350033        6.4132140439        8.6089312116
F        14.0902672904        3.1226364854        6.4028656495
F        14.0137666736        3.4255795295        8.5993771676
F        13.4044785394        1.5151983532        7.7240495581
F         9.1895188634       -1.7352139983        7.3565605325
F        11.2106059099       -1.9271784982        6.4755622949
F         9.6054034997       -3.2834853473        5.8771790929
F         8.6367123600       -2.2230675422        1.1755774932
F         9.9262712789       -0.5159479960        0.5911828301
F         7.7626651003       -0.2366358205        0.7414965840
F        12.4217776312        2.8779783031        0.9555744986
F        13.2604063781        4.8127824160        1.4729212685
F        11.9537469272        4.6312695726       -0.2940986650
F         8.8160025933        8.0780675676        1.1820516175
F         8.9056689151        8.2444692957        3.3835802097
F         7.1660193272        7.3378505847        2.4271173315
F         3.9898078054        2.5724814049        2.3478387591
F         4.2184966432        4.6985529762        2.8681799150
F         2.6536523369        3.4701329365        3.8274968798
F         5.4629191180        2.9840231926        9.0473321444
F         3.6878091978        1.9399026618        8.2417010915
F         5.5908638814        0.8643028316        8.4646506380
C         3.6918977880        9.3841904108       14.6962203907
C         4.1671494481        9.7607413380       13.4261671358
C         5.5332239201        9.8721694716       13.1474490253
C         6.4925741065        9.6105796306       14.1269517878
C         6.0469479623        9.2237960272       15.3912549745
C         4.6751230902        9.1215791972       15.6705216247
C         5.9499720403       10.2605777350       11.7624164683
C         7.0374632374        8.8773832163       16.4685774751
C         1.6337409805        8.4230442449       16.2361436753
C         2.2374176673        7.1678191786       16.4321554429
C         1.7934511695        6.2711504515       17.4169859492
C         0.7196117384        6.6052093625       18.2448093714
C         0.0807530075        7.8391115135       18.0441783252
C         0.5245107323        8.7195694495       17.0550812477
C         2.4578346304        4.9208338545       17.5255709976
C        -1.1305629922        8.1582009682       18.8775867943
C         1.8637190274       11.0094618786       15.4239363740
C         2.0820037567       11.4728612740       16.7341085102
C         2.0045665022       12.8295585097       17.0692509470
C         1.7137748753       13.7903488943       16.0904761647
C         1.5066905642       13.3525997700       14.7750508623
C         1.5824199028       11.9902114181       14.4555312000
C         2.1670045721       13.2124192102       18.5183053344
C         1.1274183858       14.3188814283       13.6799212593
C         1.1561985256        8.9474533478       13.7678306034
C        -0.1401813626        9.4394344260       13.5288115769
C        -0.9553538915        8.9200672383       12.5070232106
C        -0.5062837139        7.8917227131       11.6880949248
C         0.7727153047        7.3805359736       11.9210856998
C         1.5817258646        7.8895074496       12.9379256614
C        -2.3434062210        9.4567696523       12.3242328153
C         1.2339233064        6.2687241776       11.0372131120
B         2.0849640599        9.4360354019       15.0310057145
H         3.4533368599        9.9748679247       12.6308799902
H         7.5513799903        9.6806275078       13.9039906642
H         4.3708426864        8.8278751615       16.6746515401
H         3.0809718672        6.8779655526       15.8061098291
H         0.3859803141        5.9210897390       19.0184692850
H         0.0003145670        9.6650673518       16.9240908936
H         2.3215803337       10.7578545629       17.5198986316
H         1.6391273343       14.8430677085       16.3449724212
H         1.4206229153       11.6903438266       13.4204188926
H        -0.5326055218       10.2440591341       14.1512605649
H        -1.1331633436        7.4991640293       10.8935193475
H         2.5684349210        7.4555576459       13.0885408409
F         1.1126907643        6.6002336791        9.7050142286
F         0.4794567448        5.1320625439       11.1856166213
F         2.5279030798        5.9191893555       11.2544443900
F        -3.0995410993        9.2141002621       13.4597183685
F        -3.0205878052        8.9113528067       11.2672906996
F        -2.3483721870       10.8138942293       12.1404087788
F         1.8001757130       14.0688271689       12.5069680991
F        -0.2211675568       14.2614801275       13.3882168876
F         1.3843901341       15.6176224343       13.9865656672
F         2.3537774275       14.5580238680       18.6885173963
F         1.0648164352       12.8499668251       19.2723482196
F         3.2282121250       12.5719383672       19.1217247762
F        -1.4362631480        9.4880199921       18.9740594059
F        -2.2632276977        7.5329947377       18.3942250678
F        -0.9642386153        7.7017715578       20.1652959774
F         2.1734986196        4.2557663233       18.6831422621
F         2.0828038934        4.0925906147       16.4816510434
F         3.8214502498        4.9969514985       17.4371285390
F         7.0004083724        9.7613935093       17.5160064421
F         6.7716968083        7.6355483235       16.9956220737
F         8.3370920013        8.8637971688       16.0364113879
F         5.5267611924        9.3496823997       10.8164395527
F         7.3018152766       10.3937684348       11.6224253731
F         5.3980811582       11.4679637688       11.3995318431
310
SCF Energy = -2189.7166040739 (a.u.)
Lowest Frequencies = 22.302098  25.053345  32.960550 (cm^-1)
Irot / [1-(propene)][BArF4]
C         1.7432886177       10.0990401486        8.1103730901
C         0.4957980387       10.9575864884        7.8153480858
C        -0.3146478955       11.1967791365        9.1006225582
C         0.5479516116       11.8611488194       10.1827705319
C         1.8065500368       11.0308533197       10.4730490112
C         2.6226104923       10.7387868348        9.1994978330
C         4.0752527735        8.5862472753        7.0949406896
C         4.9434624010        8.1600623078        5.8936834470
C         6.0633184425        7.1958476792        6.3178198153
C         5.4987297901        5.9721268118        7.0438154862
C         4.6773379495        6.4023491726        8.2624999113
C         3.5484446240        7.3629432409        7.8669580890
C         3.4285322688       11.1921574819        5.8676529849
C         3.5754597605       11.0762726356        4.3407102989
C         2.8063922203        9.3801553860        2.0194852906
C         3.4904427281       10.3763605198        1.0658885592
C         3.8678205489        9.6850469184       -0.2590886042
C         4.7120046935        8.4201161540       -0.0471804580
C         4.0532414944        7.4605305972        0.9529197185
C         3.7207630667        8.1672352677        2.2777375896
C         0.9738976319       11.4570818917        3.0211546867
C        -0.2050666419       10.8475651549        2.2416619479
C        -1.2034524090       11.9188627459        1.7783597477
C        -1.7008418363       12.7610267562        2.9584350540
C        -0.5208874751       13.3995019976        3.6986301440
C         0.4772830711       12.3347708374        4.1870553622
Rh        1.2723446876        8.6683385111        5.0157827188
P         2.1529950395       10.1324694353        3.5873779272
P         2.6522815345        9.6490926442        6.5534830115
C         0.4126775151        7.2883594764        3.4529791707
C        -0.5072690759        7.6215786688        4.4427720335
C        -0.3663143042        7.0694492114        5.8269918733
H         1.3867163707        9.1217976560        8.4782369709
H         0.8014917811       11.9293312905        7.3984498102
H        -0.1241890750       10.4678524555        7.0480995238
H        -0.6993084399       10.2344616035        9.4714503477
H        -1.1952596065       11.8146012015        8.8733160488
H        -0.0347400635       11.9951880090       11.1062096669
H         0.8384261795       12.8685125645        9.8502986175
H         2.4494792794       11.5562364480       11.1952246463
H         1.5123186915       10.0793340280       10.9414771042
H         3.4716996892       10.0876032353        9.4470092026
H         3.0453957062       11.6762265004        8.8185566076
H         4.6881557322        9.2027222310        7.7734847526
H         5.3834678225        9.0407686943        5.4056658906
H         4.2975072221        7.6708686382        5.1481674838
H         6.7685353488        7.7192466978        6.9774189368
H         6.6362052811        6.8974085233        5.4267545977
H         6.3065051599        5.2964109725        7.3554010895
H         4.8656774220        5.3955530951        6.3549822489
H         4.2507741605        5.5286390689        8.7761939306
H         5.3369577708        6.8995508681        8.9887479478
H         3.0107989963        7.6861122248        8.7653071434
H         2.8194278069        6.8283210014        7.2363600594
H         4.3949875560       11.3849344525        6.3544932785
H         2.7628996297       12.0244484492        6.1328199211
H         4.4879340283       10.5226288134        4.0806178532
H         3.6541223512       12.0647114069        3.8649846655
H         1.8955412896        9.0044372203        1.5255772582
H         4.3967978676       10.7763117728        1.5408482026
H         2.8404704246       11.2350700497        0.8565780489
H         4.4083773240       10.4013157772       -0.8955647255
H         2.9439447328        9.4156494753       -0.7942019949
H         5.7088424858        8.7003271702        0.3200803963
H         4.8704908305        7.9105950414       -1.0095428966
H         4.7076517252        6.5992281298        1.1439281248
H         3.1253645729        7.0525657577        0.5242441621
H         4.6532377937        8.5026263664        2.7565365652
H         3.2396906444        7.4703784854        2.9787366206
H         1.5610734840       12.0930710150        2.3366201021
H        -0.7224843556       10.1255886014        2.8916307538
H         0.1611348454       10.2860103239        1.3743169315
H        -2.0442549713       11.4349422245        1.2628657550
H        -0.7203051006       12.5747077966        1.0381724037
H        -2.2726969520       12.1271681872        3.6518096939
H        -2.3978569833       13.5315636031        2.6002961042
H        -0.8655347313       13.9924770630        4.5583268872
H        -0.0084909150       14.1027177067        3.0272472725
H         1.3249965999       12.8275440071        4.6846796190
H        -0.0040430209       11.6899875252        4.9382352784
H        -1.3652204791        8.2555084905        4.2205156247
H         0.2703242163        7.6583559190        2.4408109702
H         1.0729467211        6.4269518603        3.5554392514
H        -1.2489684527        7.2399895637        6.4512968039
H        -0.0669068652        6.0144014654        5.8575741012
H         0.4653487836        7.6153893898        6.4359907904
C         9.2877352570        2.2124844583       11.7678309927
C        10.5286089401        1.3418168291       12.0511278481
C        11.3267879495        1.1067335312       10.7576031064
C        10.4510774579        0.4503006504        9.6807533662
C         9.1854519133        1.2780517792        9.4123339538
C         8.3871096374        1.5667451491       10.6988494576
C         6.9667627043        3.7339234439       12.7992370868
C         6.1337994374        4.2095187114       14.0072807785
C         4.9949422991        5.1514508932       13.5825602109
C         5.5271951586        6.3417456469       12.7806238246
C         6.2978285850        5.8547680598       11.5503784435
C         7.4484784572        4.9197152115       11.9451027801
C         7.6507469105        1.1314404983       14.0069058804
C         7.4500732697        1.2192555381       15.5287779162
C         8.2184455787        2.9331748618       17.8634948956
C         7.4626594302        1.9584696502       18.7838131737
C         7.0883991619        2.6415626228       20.1127952940
C         6.2974114861        3.9392599997       19.8968014837
C         7.0237380114        4.8891100776       18.9346410464
C         7.3728090362        4.1967331560       17.6059688018
C        10.0839321452        0.8953708415       16.8782746271
C        11.3599368848        1.6086090573       17.3679082233
C        12.3886392308        0.6078275412       17.9103931016
C        12.7340210201       -0.4503204479       16.8558801274
C        11.4714452912       -1.1597273974       16.3515823758
C        10.4321972451       -0.1594688008       15.8099657172
Rh        9.7175158429        3.6951433435       14.8352162260
P         8.8548551622        2.1614196636       16.2966605757
P         8.4151827455        2.6947160995       13.3342954854
C        11.0416251478        4.7492881663       13.3442678976
C        10.5722458063        5.5979824547       14.3422279892
C        11.0886931514        5.4854149422       15.7423429723
H         9.6482770936        3.1758109909       11.3743852714
H        10.2155096250        0.3683128970       12.4588177397
H        11.1563066510        1.8193605477       12.8184148777
H        11.7108103026        2.0703235163       10.3892845359
H        12.2077438968        0.4849395264       10.9718177088
H        11.0224986434        0.3242778623        8.7489426009
H        10.1675972430       -0.5605100692       10.0089034157
H         8.5335356096        0.7530562171        8.6978944052
H         9.4698049390        2.2319280355        8.9422341484
H         7.5315514487        2.2137822020       10.4623636096
H         7.9748853770        0.6282761885       11.0870918091
H         6.3400534247        3.0748428962       12.1745360058
H         5.7148756810        3.3485710650       14.5468522193
H         6.8026581803        4.7306096418       14.7096669632
H         4.2654801924        4.5994465779       12.9745975185
H         4.4572581261        5.4895126554       14.4814308246
H         4.7063084292        7.0038308839       12.4734343538
H         6.1882626144        6.9479067220       13.4160134907
H         6.7000823420        6.7043784643       10.9795577402
H         5.6103611679        5.3224350993       10.8765901562
H         7.9503241723        4.5540978293       11.0418947863
H         8.1984340815        5.4894806547       12.5148395124
H         6.7074443379        0.9225672553       13.4821916979
H         8.3443825286        0.3166364206       13.7581261181
H         6.5322148190        1.7717020864       15.7719439529
H         7.3561106580        0.2230997400       15.9845210755
H         9.1430632957        3.2510926015       18.3760006887
H         6.5468328750        1.6207543363       18.2794819650
H         8.0587122492        1.0601423809       18.9861022100
H         6.5084512681        1.9378146370       20.7281488189
H         8.0107019342        2.8696875952       20.6696775425
H         5.3032888082        3.7004800154       19.4939475063
H         6.1269747758        4.4396148110       20.8618221164
H         6.4100788628        5.7793156052       18.7399752277
H         7.9520910009        5.2511466926       19.4010927186
H         6.4451986221        3.9179487329       17.0832553105
H         7.9099615685        4.8880351817       16.9387287775
H         9.6147550228        0.3776005384       17.7315405545
H        11.7959300908        2.1619885149       16.5197166071
H        11.1206416548        2.3512184703       18.1384475490
H        13.2899239351        1.1456420029       18.2345591142
H        11.9834654457        0.1165077698       18.8083232522
H        13.2503380225        0.0288134591       16.0112982481
H        13.4416720574       -1.1778816834       17.2775405391
H        11.7183343238       -1.8885135967       15.5657792012
H        11.0230861906       -1.7371038448       17.1728939391
H         9.5303789523       -0.7031341084       15.4929425953
H        10.8334416333        0.3481590934       14.9188759518
H         9.8501340521        6.3829054904       14.1166329560
H        10.6951881099        4.8812474706       12.3223242852
H        11.9666585655        4.1845089708       13.4621031180
H        10.8031425273        6.3324256093       16.3736589332
H        12.1677862178        5.2984036265       15.8056343361
H        10.6129515602        4.5886791187       16.3161147303
C         7.3011128524        2.9473198380        5.1692333789
C         6.8242116789        2.5728810252        6.4390359696
C         5.4576209972        2.4614208745        6.7164002308
C         4.4993216988        2.7231823243        5.7361881957
C         4.9458639265        3.1078645385        4.4714154365
C         6.3183774525        3.2072176622        4.1925768279
C         5.0399171787        2.0729029955        8.1008918915
C         3.9536540632        3.4556314244        3.3947735497
C         9.3572962411        3.9211799071        3.6370258645
C         8.7445427570        5.1713348078        3.4380524747
C         9.1920308617        6.0713591249        2.4582463197
C        10.2749630878        5.7518546237        1.6407517605
C        10.9173530130        4.5244868238        1.8422162334
C        10.4734133560        3.6365141851        2.8248876657
C         8.5284860697        7.4152648174        2.3409467846
C        12.1233209210        4.2017808688        1.0098614566
C         9.1342222741        1.3270138703        4.4377025952
C         8.9174268174        0.8646954090        3.1269389963
C         8.9887911237       -0.4928422061        2.7932166387
C         9.2757874002       -1.4543362328        3.7725173898
C         9.4858176096       -1.0171365563        5.0876856497
C         9.4137572797        0.3455947739        5.4061570571
C         8.8242273326       -0.8765258632        1.3442385131
C         9.8634411478       -1.9836543036        6.1831148066
C         9.8402709982        3.3787194889        6.1011662091
C        11.1344914518        2.8801484569        6.3448631511
C        11.9487523755        3.3893535188        7.3727388322
C        11.4961873041        4.4166059696        8.1955608003
C        10.2217073725        4.9395186740        7.9536046052
C         9.4171377214        4.4385854230        6.9292525193
C        13.3495272202        2.8685820383        7.5436994291
C         9.7573461202        6.0590832154        8.8284899456
B         8.9095508636        2.8987246034        4.8351632081
H         7.5365917051        2.3599278323        7.2356752754
H         3.4401633488        2.6555282619        5.9583653018
H         6.6240479195        3.4974095890        3.1875585632
H         7.8922633586        5.4541412192        4.0552768507
H        10.6082611813        6.4394149823        0.8709023682
H        11.0031822620        2.6942628243        2.9550121733
H         8.6828592406        1.5810148032        2.3406110609
H         9.3465373045       -2.5073201499        3.5179682712
H         9.5750655115        0.6449434072        6.4412863045
H        11.5265431133        2.0789193086        5.7179417950
H        12.1210743390        4.8060003645        8.9937618490
H         8.4354863521        4.8810299369        6.7703615562
F         9.8771171806        5.7341221879       10.1602970803
F        10.5116941870        7.1997768632        8.6778258941
F         8.4649579071        6.4130922383        8.6090760439
F        14.0898138301        3.1230724297        6.4031483414
F        14.0142338945        3.4254794957        8.6001187841
F        13.4048089301        1.5149735534        7.7242384776
F         9.1897781815       -1.7350452835        7.3563346397
F        11.2114767974       -1.9274650328        6.4758019413
F         9.6061446969       -3.2828361798        5.8771366503
F         8.6364594538       -2.2229347708        1.1756584116
F         9.9261169318       -0.5159110553        0.5911537981
F         7.7623405396       -0.2368272630        0.7414661931
F        12.4216875197        2.8773715859        0.9551256459
F        13.2601391294        4.8107019412        1.4718673903
F        11.9538396808        4.6313597584       -0.2946962036
F         8.8159899933        8.0782473368        1.1817918730
F         8.9054994183        8.2442428763        3.3836434724
F         7.1662602514        7.3379547366        2.4270774680
F         3.9897264029        2.5722842614        2.3474778384
F         4.2185964114        4.6982354157        2.8682148468
F         2.6538025582        3.4698495598        3.8274583484
F         5.4631253093        2.9842110342        9.0473913149
F         3.6883451823        1.9400769534        8.2413870856
F         5.5915819763        0.8654885048        8.4642923258
C         3.6898402044        9.3827060143       14.6974249831
C         4.1654169386        9.7565280025       13.4264396338
C         5.5316087284        9.8704128326       13.1479238505
C         6.4906317017        9.6097824983       14.1278890762
C         6.0451603389        9.2240307986       15.3925369081
C         4.6731387776        9.1232783637       15.6728031388
C         5.9496261493       10.2604567016       11.7634779916
C         7.0366485671        8.8777471379       16.4693892906
C         1.6316716943        8.4177608160       16.2357414380
C         2.2391059926        7.1644068146       16.4314016342
C         1.7958854654        6.2660023028       17.4145443188
C         0.7199245898        6.5930673201       18.2406015195
C         0.0785427939        7.8237302388       18.0398546332
C         0.5197101310        8.7083059543       17.0529961398
C         2.4598963147        4.9182960057       17.5244814159
C        -1.1296587739        8.1412856261       18.8742923797
C         1.8581699357       11.0063615641       15.4256727800
C         2.0763317956       11.4694908190       16.7359999415
C         2.0025807026       12.8267634030       17.0702520792
C         1.7135995449       13.7875388231       16.0908995289
C         1.5046487597       13.3501341843       14.7755820852
C         1.5772179769       11.9872242879       14.4570619354
C         2.1666431445       13.2103190917       18.5195945560
C         1.1269889026       14.3176689551       13.6805461643
C         1.1534596421        8.9435182160       13.7700788980
C        -0.1431291647        9.4348883816       13.5313552574
C        -0.9562164934        8.9189441666       12.5064644329
C        -0.5053597290        7.8938735249       11.6844108742
C         0.7724891888        7.3808886257       11.9196334272
C         1.5796855650        7.8866744022       12.9393600886
C        -2.3437382579        9.4566883881       12.3240693850
C         1.2340084036        6.2688034850       11.0369496321
B         2.0820010067        9.4331610851       15.0324159093
H         3.4516816547        9.9677210141       12.6306703038
H         7.5494788632        9.6806357351       13.9053457300
H         4.3688336779        8.8330373588       16.6782157417
H         3.0845650161        6.8773860351       15.8066957904
H         0.3872282470        5.9061870927       19.0120656358
H        -0.0082486396        9.6519249032       16.9233007788
H         2.3125933897       10.7539807173       17.5225074616
H         1.6407326463       14.8404606220       16.3450205095
H         1.4135074835       11.6865324289       13.4227196850
H        -0.5371372986       10.2373387834       14.1555302132
H        -1.1303823637        7.5039539361       10.8870955537
H         2.5657042437        7.4515268352       13.0908735037
F         1.1125958450        6.6000894967        9.7045426910
F         0.4795123059        5.1320397634       11.1854608984
F         2.5278371596        5.9191968935       11.2542155272
F        -3.0996136600        9.2140934361       13.4595847972
F        -3.0209087498        8.9112457166       11.2669641911
F        -2.3483757141       10.8137142222       12.1402758297
F         1.8002097714       14.0688534445       12.5073399140
F        -0.2215014652       14.2613461565       13.3880538464
F         1.3842714930       15.6165131370       13.9867262451
F         2.3536255246       14.5570274254       18.6882925962
F         1.0645341482       12.8497730736       19.2724641419
F         3.2279084036       12.5706290022       19.1225611910
F        -1.4329540919        9.4618097203       18.9718981074
F        -2.2659915826        7.5283139637       18.3934633340
F        -0.9641251180        7.6973768443       20.1657802184
F         2.1739070772        4.2552101075       18.6829911918
F         2.0832893810        4.0914454567       16.4811027898
F         3.8227577560        4.9964195871       17.4370171177
F         7.0002876529        9.7614281002       17.5161772162
F         6.7715468604        7.6355195558       16.9957513340
F         8.3366645296        8.8639194862       16.0363725285
F         5.5270482410        9.3493904510       10.8165060670
F         7.3014724672       10.3936974717       11.6226668860
F         5.3982202955       11.4678702967       11.3998250483
310
SCF Energy = -2189.7020758539 (a.u.)
Lowest Frequencies = i63.705390  17.300661  28.314230 (cm^-1)
TS(I'-I'rotint) / [1-(propene)][BArF4]
C         1.7494446924       10.1100253448        8.1172438908
C         0.5067285159       10.9727980947        7.8159170250
C        -0.3155438669       11.2047866134        9.0952505936
C         0.5369143843       11.8652385467       10.1875945953
C         1.7915723199       11.0326099798       10.4868757842
C         2.6198324630       10.7417344314        9.2211398015
C         4.1127541059        8.6248989997        7.1360245690
C         5.0046615216        8.2103539599        5.9476104394
C         6.1058385368        7.2277943050        6.3773659873
C         5.5139709261        5.9959574462        7.0676656756
C         4.6741903401        6.4126274161        8.2784464038
C         3.5637659283        7.3933401325        7.8825119089
C         3.4312426408       11.2154520396        5.8676579926
C         3.5611372496       11.0639382269        4.3438808433
C         2.7937550968        9.3356274136        2.0590345293
C         3.4431568563       10.3533421152        1.0994420634
C         3.8177417191        9.6754387314       -0.2341529702
C         4.6958543410        8.4308324022       -0.0427002523
C         4.0784147238        7.4536164145        0.9661407908
C         3.7512673853        8.1515205191        2.2965052374
C         0.9186920188       11.3522098920        3.0944449900
C        -0.3437617539       10.7183066723        2.4861149634
C        -1.3100994339       11.7819550092        1.9467712434
C        -1.6933074578       12.7786223993        3.0464722063
C        -0.4423378693       13.4177879230        3.6598065254
C         0.5374768025       12.3571129259        4.1978774307
Rh        1.4206586483        8.5570797726        5.0991367169
P         2.1488706845       10.0618943027        3.6475836860
P         2.6843469818        9.6715784622        6.5711255182
C        -1.0593158146        7.1279050716        5.4573306281
C         0.1283289857        6.8485250587        4.5823565494
C         0.3316016335        7.3809704198        3.3306607433
H         1.3874031631        9.1315305062        8.4777748062
H         0.8188465183       11.9476410091        7.4110587441
H        -0.1067010774       10.4900598258        7.0399532798
H        -0.7025342089       10.2403399278        9.4582333604
H        -1.1947704694       11.8226611825        8.8628979335
H        -0.0539098479       11.9966155151       11.1062417168
H         0.8311610280       12.8735483370        9.8612351158
H         2.4293791062       11.5560630881       11.2151362540
H         1.4922441973       10.0808615422       10.9513121546
H         3.4631356683       10.0864058260        9.4761164631
H         3.0509022328       11.6786373537        8.8479679589
H         4.7105391919        9.2337820881        7.8345571950
H         5.4609249597        9.0963143551        5.4847251917
H         4.3706581496        7.7405775332        5.1800559886
H         6.8026914583        7.7306226927        7.0612008520
H         6.6948460717        6.9402502280        5.4932162073
H         6.3081960826        5.3059799583        7.3830367013
H         4.8887249361        5.4383940860        6.3557693752
H         4.2312108235        5.5353659220        8.7718102123
H         5.3255489577        6.8932678388        9.0235079583
H         3.0146528564        7.7068013125        8.7774174479
H         2.8359958080        6.8744124241        7.2326712110
H         4.3997936346       11.4237125037        6.3438701098
H         2.7576104870       12.0431720293        6.1254473735
H         4.4796328193       10.5194235739        4.0860925212
H         3.6100828044       12.0389347554        3.8372451351
H         1.8848389421        8.9416329706        1.5752637018
H         4.3476183727       10.7708039226        1.5632285628
H         2.7732598531       11.1989749305        0.8989110171
H         4.3322067481       10.4084505220       -0.8732473600
H         2.8931081131        9.3879489807       -0.7578346656
H         5.6919970315        8.7336082397        0.3080615543
H         4.8492735706        7.9284916444       -1.0096766997
H         4.7579365295        6.6096273349        1.1458954188
H         3.1547267751        7.0215108992        0.5518216376
H         4.6824176819        8.5192057836        2.7540445496
H         3.3140884990        7.4412298462        3.0129416993
H         1.4514431116       11.9060171016        2.3017109225
H        -0.8489739961       10.1346604079        3.2710968720
H        -0.0773869017       10.0187040406        1.6857364628
H        -2.2026429028       11.2910160445        1.5352146940
H        -0.8377272445       12.3180486392        1.1091419329
H        -2.2656093520       12.2596633664        3.8291143201
H        -2.3596656890       13.5506854128        2.6366122001
H        -0.7104141341       14.1078091860        4.4729910339
H         0.0649768608       14.0267634435        2.8982259544
H         1.4315898518       12.8595380332        4.5934197156
H         0.0762026486       11.8123722509        5.0350045080
H         0.7925405179        6.0340838447        4.9027261931
H        -1.5913897711        6.1863691102        5.6716220891
H        -1.7594771081        7.8361227428        4.9994993764
H         1.0975739250        6.9740396248        2.6762145724
H        -0.4108523416        8.0309697883        2.8760688411
H        -0.7629140376        7.5235219206        6.4488332322
C         9.2884648365        2.2124484317       11.7702696480
C        10.5274541912        1.3384983840       12.0516443357
C        11.3250400058        1.1042900248       10.7576689341
C        10.4480865998        0.4507039399        9.6801846393
C         9.1840772557        1.2812430368        9.4130186022
C         8.3864037071        1.5711515753       10.6997314374
C         6.9719311685        3.7363595705       12.8054346894
C         6.1256284684        4.1938628736       14.0108009680
C         4.9875855273        5.1361836818       13.5846382399
C         5.5241176416        6.3392300349       12.8049905388
C         6.3108419444        5.8718126733       11.5771775245
C         7.4595914418        4.9345458692       11.9723699841
C         7.6477881824        1.1292492399       14.0062720957
C         7.4491045012        1.2116244621       15.5288131494
C         8.2189104961        2.9245749992       17.8650719163
C         7.4639912715        1.9519468137       18.7879297710
C         7.0903881584        2.6377997130       20.1155554419
C         6.3000398130        3.9354828841       19.8976180327
C         7.0259662653        4.8832602475       18.9330740127
C         7.3737169145        4.1879711705       17.6054391815
C        10.0764452125        0.8758037630       16.8848056798
C        11.3438984452        1.5825824175       17.4048960506
C        12.3698853668        0.5757047167       17.9415005363
C        12.7317372760       -0.4607677089       16.8711906422
C        11.4774272095       -1.1669098652       16.3426023615
C        10.4407062482       -0.1619685990       15.8050347595
Rh        9.7252279723        3.6812074964       14.8427526043
P         8.8556617310        2.1485704415       16.3003079173
P         8.4170687706        2.6921417370       13.3384604894
C        11.0436039712        4.7470680820       13.3519919614
C        10.5856435534        5.5850931960       14.3640452917
C        11.1107189732        5.4515283829       15.7589315236
H         9.6511307127        3.1759993248       11.3792770605
H        10.2124632170        0.3648699073       12.4575724069
H        11.1561699065        1.8132560705       12.8198318720
H        11.7104481668        2.0678450909       10.3906941421
H        12.2050115542        0.4808064169       10.9707782278
H        11.0190269663        0.3249392828        8.7480418829
H        10.1630310226       -0.5600791756       10.0070166913
H         8.5308130387        0.7579783540        8.6985187075
H         9.4702873141        2.2347128484        8.9433556630
H         7.5335295799        2.2218061814       10.4634426640
H         7.9703898539        0.6336782582       11.0865043539
H         6.3525174041        3.0847549677       12.1657811756
H         5.7043541461        3.3249439317       14.5355185474
H         6.7849472109        4.7094928866       14.7259364020
H         4.2685037952        4.5888101239       12.9603484285
H         4.4367259899        5.4595428312       14.4808998870
H         4.7040434732        7.0020302726       12.4971103797
H         6.1751729734        6.9394377696       13.4561405283
H         6.7170857664        6.7303476175       11.0226617581
H         5.6327657960        5.3465884183       10.8884021910
H         7.9725050079        4.5822566707       11.0702613431
H         8.2014386088        5.4985244346       12.5582575521
H         6.7029756692        0.9260981678       13.4819668952
H         8.3378799963        0.3127558515       13.7532382176
H         6.5320773475        1.7640705368       15.7750590096
H         7.3545875233        0.2137121870       15.9806067683
H         9.1436094005        3.2439198043       18.3763860294
H         6.5481545757        1.6124135511       18.2848655477
H         8.0608506549        1.0546620592       18.9919264729
H         6.5102657722        1.9355830891       20.7324784167
H         8.0130128829        2.8665769006       20.6716606620
H         5.3053570257        3.6965846902       19.4962313376
H         6.1309716088        4.4373838350       20.8620743947
H         6.4124316400        5.7733600838       18.7370251140
H         7.9547997965        5.2459324366       19.3981405082
H         6.4455153972        3.9086916665       17.0841038085
H         7.9111297856        4.8774712898       16.9364835309
H         9.5943259991        0.3449873024       17.7226702429
H        11.7897738859        2.1533384026       16.5735694929
H        11.0919741085        2.3093785465       18.1862596415
H        13.2649198430        1.1111687980       18.2860702320
H        11.9560784182        0.0659463420       18.8252970455
H        13.2534435769        0.0365141896       16.0405028045
H        13.4393705355       -1.1921066516       17.2861110866
H        11.7348913999       -1.8830451471       15.5486092146
H        11.0229182101       -1.7578341288       17.1506530984
H         9.5441394355       -0.7035775406       15.4699468125
H        10.8496539075        0.3603586063       14.9259946215
H         9.8654329246        6.3760388886       14.1536648058
H        10.6897752606        4.8933758806       12.3344726639
H        11.9664526261        4.1760716122       13.4560207688
H        10.8365478678        6.2928934605       16.4027051883
H        12.1884471229        5.2542880169       15.8124468162
H        10.6309922113        4.5519378072       16.3260545446
C         7.3005840930        2.9478967732        5.1695367123
C         6.8237682361        2.5731115487        6.4392063183
C         5.4572464703        2.4635956078        6.7170818217
C         4.4990158840        2.7272789023        5.7373294378
C         4.9455423125        3.1101430225        4.4720322411
C         6.3180717401        3.2083559857        4.1929440292
C         5.0397441322        2.0735099587        8.1010799629
C         3.9532524615        3.4562259472        3.3948796300
C         9.3578377527        3.9217581134        3.6390107833
C         8.7451254912        5.1719093440        3.4398185731
C         9.1927882774        6.0717712892        2.4597256090
C        10.2754905554        5.7518194616        1.6419998911
C        10.9176965429        4.5242965628        1.8432711595
C        10.4741024956        3.6370447435        2.8266341398
C         8.5289365329        7.4157872635        2.3418989012
C        12.1234745948        4.2015367749        1.0101297603
C         9.1331537764        1.3269758370        4.4384004799
C         8.9181259750        0.8650590093        3.1272391027
C         8.9902421031       -0.4924374118        2.7932633357
C         9.2777210058       -1.4538830910        3.7725007731
C         9.4854782904       -1.0170163609        5.0881543443
C         9.4112850497        0.3454589802        5.4070937102
C         8.8244647001       -0.8762862165        1.3442964023
C         9.8640435504       -1.9837623146        6.1832395939
C         9.8379371556        3.3755711575        6.1047881006
C        11.1349138659        2.8812257922        6.3436857725
C        11.9494027840        3.3917738985        7.3705539262
C        11.4972873726        4.4195477824        8.1931603122
C        10.2199209236        4.9368798552        7.9571898766
C         9.4120875376        4.4305060146        6.9379019922
C        13.3496309301        2.8696257710        7.5430336141
C         9.7586934183        6.0611948246        8.8282273373
B         8.9087897106        2.8984632050        4.8365006958
H         7.5361888518        2.3578875822        7.2351714505
H         3.4399609097        2.6601566249        5.9598104951
H         6.6239074014        3.4976716361        3.1877289681
H         7.8930338883        5.4553194640        4.0571153541
H        10.6085585709        6.4385834838        0.8712751353
H        11.0035850226        2.6946688741        2.9568803219
H         8.6839656217        1.5814646092        2.3408929356
H         9.3502380304       -2.5067009136        3.5178483222
H         9.5712903467        0.6447872678        6.4424405506
H        11.5288130509        2.0828515150        5.7140814064
H        12.1245499301        4.8128031984        8.9875378192
H         8.4285348084        4.8699139549        6.7824847127
F         9.8771858347        5.7342433499       10.1608609874
F        10.5118864585        7.1990648998        8.6773157722
F         8.4651547568        6.4131508460        8.6092323720
F        14.0903397990        3.1231104220        6.4027394031
F        14.0142037221        3.4255964402        8.5999321221
F        13.4045466264        1.5157732846        7.7241058733
F         9.1897467529       -1.7350663367        7.3564581817
F        11.2115364022       -1.9272738150        6.4758232002
F         9.6066569751       -3.2823836293        5.8771138989
F         8.6364443373       -2.2228689652        1.1757898924
F         9.9260974914       -0.5158558772        0.5909993262
F         7.7622361664       -0.2370687494        0.7417449018
F        12.4215187392        2.8769658331        0.9551907698
F        13.2602028019        4.8097851765        1.4717593368
F        11.9537612562        4.6312685837       -0.2945649160
F         8.8161124674        8.0781917477        1.1818760184
F         8.9058542949        8.2444256114        3.3835841180
F         7.1665728208        7.3379471085        2.4271383540
F         3.9898434064        2.5724678649        2.3478291297
F         4.2185541851        4.6984703653        2.8680008716
F         2.6537225986        3.4700331880        3.8275000454
F         5.4630814885        2.9843082679        9.0476462107
F         3.6882520239        1.9401006198        8.2414408743
F         5.5915146045        0.8656605146        8.4641025654
C         3.6897392806        9.3835740353       14.6978388894
C         4.1654412235        9.7574446288       13.4269125038
C         5.5316564405        9.8705055016       13.1480606324
C         6.4906633664        9.6092589850       14.1278797250
C         6.0451478677        9.2243987098       15.3927889775
C         4.6731032691        9.1244241722       15.6732895103
C         5.9497638375       10.2606247657       11.7636576864
C         7.0367292490        8.8778047404       16.4694665229
C         1.6315612127        8.4177594393       16.2356721954
C         2.2396605686        7.1648926676       16.4322229118
C         1.7961720193        6.2665440503       17.4153639250
C         0.7201999957        6.5939455043       18.2414161778
C         0.0783222960        7.8243308649       18.0399407253
C         0.5190870173        8.7081151445       17.0522820371
C         2.4599161620        4.9185981721       17.5247420360
C        -1.1296215686        8.1423679500       18.8749348842
C         1.8570963756       11.0062740672       15.4256463501
C         2.0753656854       11.4692260386       16.7359830812
C         2.0021615916       12.8264548742       17.0704806321
C         1.7135344185       13.7873862662       16.0910978014
C         1.5039645141       13.3500742416       14.7758257140
C         1.5757019059       11.9871654652       14.4572672877
C         2.1663321569       13.2098194540       18.5200264730
C         1.1267069395       14.3176547494       13.6807159249
C         1.1533833933        8.9434122526       13.7698764522
C        -0.1432357344        9.4346752653       13.5310886899
C        -0.9564043672        8.9186422574       12.5063298804
C        -0.5056039869        7.8935682088       11.6842292579
C         0.7723856186        7.3808373643       11.9193975478
C         1.5796051800        7.8866471214       12.9391168895
C        -2.3439180249        9.4564730108       12.3239510584
C         1.2339132692        6.2687523302       11.0367475473
B         2.0816617889        9.4332621139       15.0323442162
H         3.4515534632        9.9692121325       12.6314520696
H         7.5495387745        9.6789041100       13.9050375594
H         4.3689458148        8.8345928176       16.6789281789
H         3.0856670761        6.8780565732       15.8081525841
H         0.3872281501        5.9075306029       19.0131836457
H        -0.0093123807        9.6513318864       16.9216355937
H         2.3108712763       10.7532096671       17.5222267932
H         1.6412360691       14.8403393809       16.3452380347
H         1.4110627761       11.6866260523       13.4230653871
H        -0.5371457135       10.2373428268       14.1550165152
H        -1.1306385006        7.5035949375       10.8868805802
H         2.5656508902        7.4515593287       13.0905599340
F         1.1127651717        6.6001112433        9.7042362281
F         0.4795313345        5.1320605614       11.1854525454
F         2.5278944593        5.9192124837       11.2542059477
F        -3.0996598602        9.2140562883       13.4595848278
F        -3.0209923347        8.9112325272       11.2669156046
F        -2.3483919843       10.8136551747       12.1403015521
F         1.8001707057       14.0688656008       12.5074579432
F        -0.2215822859       14.2613687538       13.3880171953
F         1.3841650905       15.6164203330       13.9867727861
F         2.3536329763       14.5567300534       18.6883333845
F         1.0642873183       12.8496374111       19.2727142102
F         3.2277815505       12.5701653635       19.1229327001
F        -1.4329132304        9.4630918789       18.9729018506
F        -2.2658776320        7.5286159105       18.3934177249
F        -0.9637034000        7.6969561943       20.1656058165
F         2.1738973321        4.2552192634       18.6831043967
F         2.0832667310        4.0916110017       16.4812005377
F         3.8227588226        4.9964288631       17.4370513426
F         7.0002879629        9.7614473254       17.5162741797
F         6.7715042168        7.6355104814       16.9957597323
F         8.3365907362        8.8638623682       16.0363583320
F         5.5270564270        9.3493751006       10.8165188518
F         7.3014719515       10.3937041723       11.6226804195
F         5.3982467572       11.4678905819       11.3998076242
310
SCF Energy = -2189.7033335663 (a.u.)
Lowest Frequencies = 17.644942  20.412057  29.645896 (cm^-1)
I'rotint / [1-(propene)][BArF4]
C         1.8263784911       10.1342162329        8.1658859762
C         0.5825139666       10.9862195678        7.8362422140
C        -0.2722010375       11.2067903018        9.0962560416
C         0.5496335483       11.8701146090       10.2100856825
C         1.8041911270       11.0472090552       10.5355182070
C         2.6660845701       10.7709248199        9.2896824783
C         4.2345548948        8.6716895611        7.2057326318
C         5.0767843045        8.2284022482        5.9900772948
C         6.1601723068        7.2114205269        6.3786635780
C         5.5504793294        5.9986552585        7.0861084927
C         4.7791586295        6.4433055342        8.3315924371
C         3.6840569684        7.4585912748        7.9840279902
C         3.4987953687       11.2504139195        5.8893418511
C         3.5774530592       11.0494217995        4.3680338074
C         2.7581389334        9.2641649432        2.1566549504
C         3.3719261320       10.2961210086        1.1826764128
C         3.7301144858        9.6320463995       -0.1626134866
C         4.6385173984        8.4067164825        0.0068917933
C         4.0591940059        7.4152028064        1.0236947917
C         3.7481106405        8.1020590143        2.3642006174
C         0.8565721600       11.2199369152        3.2019236632
C        -0.4594176833       10.5020982792        2.8493712414
C        -1.4689614258       11.4808302972        2.2304399725
C        -1.7296619165       12.6695520106        3.1651720754
C        -0.4235496371       13.3695618364        3.5623566741
C         0.5894662640       12.3827998193        4.1753826211
Rh        1.4841239088        8.5352696978        5.2736390896
P         2.1513825433       10.0038168781        3.7605601982
P         2.8028098339        9.7078402450        6.6443706313
C        -1.4116787229        7.4267702180        4.9939950639
C         0.0055362510        6.9406764137        5.0176977645
C         0.8403861125        6.7778447896        3.9250840563
H         1.4669731019        9.1511361298        8.5166155979
H         0.8957141848       11.9652525700        7.4424313514
H        -0.0082375734       10.4995757938        7.0442732471
H        -0.6603521212       10.2380941387        9.4463763949
H        -1.1498993127       11.8193855649        8.8446052088
H        -0.0633097297       11.9922681692       11.1153215276
H         0.8422849218       12.8822819586        9.8945860788
H         2.4194843025       11.5734278686       11.2806441189
H         1.5024557576       10.0906422914       10.9882261338
H         3.5097504397       10.1226075733        9.5589671923
H         3.0951119858       11.7131833852        8.9298027441
H         4.8584734816        9.2857813681        7.8759050065
H         5.5406568743        9.1011281134        5.5105499730
H         4.4016869467        7.7764485449        5.2467563998
H         6.8960171964        7.6878832076        7.0393779718
H         6.7072543224        6.9088941500        5.4728818896
H         6.3295207710        5.2775167547        7.3668600422
H         4.8759562518        5.4684622708        6.3983342499
H         4.3276611498        5.5814491619        8.8438897030
H         5.4789610460        6.9007819864        9.0460745282
H         3.1825756218        7.7899638667        8.9014661125
H         2.9144948702        6.9593498228        7.3682413015
H         4.4767442990       11.4979366156        6.3256253365
H         2.8104254925       12.0680552820        6.1427185385
H         4.4923311227       10.5052186992        4.0967989309
H         3.5975665051       12.0054853952        3.8250360705
H         1.8418204046        8.8543855370        1.6989605616
H         4.2829348903       10.7201934626        1.6283115043
H         2.6922503636       11.1381503792        0.9978713954
H         4.2169359386       10.3801686904       -0.8060794973
H         2.8018781624        9.3296976143       -0.6702874571
H         5.6334746854        8.7307635096        0.3424626600
H         4.7866864327        7.9113744340       -0.9646225132
H         4.7582511110        6.5841122167        1.1865648972
H         3.1353338729        6.9664696727        0.6282537752
H         4.6821772366        8.4910799578        2.7974668739
H         3.3458426100        7.3800476910        3.0854479176
H         1.2769240476       11.6527140025        2.2781290619
H        -0.8742669977       10.0719152932        3.7734264611
H        -0.2795371760        9.6634027257        2.1640633510
H        -2.4054480678       10.9517290946        2.0040779502
H        -1.0821564041       11.8446591484        1.2661573776
H        -2.2421858412       12.3129652547        4.0700785116
H        -2.4141965997       13.3816038971        2.6819835705
H        -0.6194162697       14.1821296795        4.2771449346
H         0.0257184671       13.8451721340        2.6779084288
H         1.5200314536       12.9175974891        4.4136843917
H         0.1944940124       11.9827181088        5.1207710267
H         0.3172195406        6.4369119467        5.9512579644
H        -2.0989056948        6.5726102774        5.1141242139
H        -1.6466593689        7.9137902356        4.0441299369
H         1.6958525995        6.1059699984        3.9635508807
H         0.5140436452        7.0830321516        2.9312110812
H        -1.6276834729        8.1276300879        5.8136513295
C         9.2995898807        2.2085846789       11.7768578618
C        10.5381105882        1.3325756320       12.0541905939
C        11.3345670282        1.1020837637       10.7588755027
C        10.4563942891        0.4525193289        9.6799637462
C         9.1933133733        1.2856929616        9.4161528930
C         8.3964035116        1.5721081027       10.7042695776
C         6.9863013628        3.7306569584       12.8218034277
C         6.1303563593        4.1688881730       14.0272640793
C         4.9939705822        5.1157664276       13.6070246929
C         5.5348210062        6.3319317011       12.8514691557
C         6.3317273561        5.8845607615       11.6229436738
C         7.4783113819        4.9420605712       12.0108857351
C         7.6618072514        1.1188414112       14.0126448187
C         7.4618987983        1.1990482149       15.5352024867
C         8.2260992807        2.9159165882       17.8709682518
C         7.4655207770        1.9456398408       18.7913868429
C         7.0867822915        2.6333275190       20.1165109567
C         6.2992204850        3.9317995060       19.8936733990
C         7.0309708383        4.8778648218       18.9318833052
C         7.3843574807        4.1807135453       17.6066386431
C        10.0825580208        0.8598420708       16.8992387934
C        11.3453774746        1.5635648251       17.4340313212
C        12.3696642366        0.5544148779       17.9695054117
C        12.7399452514       -0.4728798073       16.8933311452
C        11.4900580368       -1.1779685517       16.3533879834
C        10.4551921797       -0.1712265974       15.8156890594
Rh        9.7436503687        3.6651471929       14.8537648788
P         8.8672469079        2.1355052149       16.3098926845
P         8.4308628936        2.6830381453       13.3484419689
C        11.0580077203        4.7366247726       13.3614275643
C        10.6096346474        5.5685231258       14.3826721316
C        11.1411151836        5.4213530702       15.7735953517
H         9.6626750024        3.1732874059       11.3891176821
H        10.2226835205        0.3579018838       12.4572592479
H        11.1677585115        1.8042002900       12.8235311347
H        11.7204712326        2.0664528003       10.3945895964
H        12.2142047568        0.4773381625       10.9695079546
H        11.0267863586        0.3288628108        8.7471974949
H        10.1701870719       -0.5587793157       10.0042301390
H         8.5390102458        0.7657659791        8.7001208611
H         9.4805145849        2.2403170087        8.9493689076
H         7.5444514556        2.2249331622       10.4703595315
H         7.9791558109        0.6337960303       11.0878788781
H         6.3727461336        3.0875362350       12.1681038609
H         5.7065055243        3.2917221045       14.5358568547
H         6.7833703488        4.6754354873       14.7543532538
H         4.2813174682        4.5774006710       12.9677014256
H         4.4348594869        5.4231246902       14.5037339235
H         4.7160732456        6.9982178309       12.5473071898
H         6.1796146337        6.9227037732       13.5172462143
H         6.7411267268        6.7518813752       11.0847349989
H         5.6590968399        5.3694873965       10.9215658367
H         7.9975138652        4.6044460176       11.1068127075
H         8.2156476387        5.4970238907       12.6108370770
H         6.7175217733        0.9159134509       13.4872751516
H         8.3526530397        0.3031339500       13.7591160475
H         6.5440949676        1.7500417046       15.7815645560
H         7.3682479908        0.2004034024       15.9855594362
H         9.1493386180        3.2340479499       18.3855688849
H         6.5514421125        1.6069034675       18.2845786585
H         8.0602117593        1.0478086722       18.9987703337
H         6.5029313691        1.9324745039       20.7314614621
H         8.0071483942        2.8615737132       20.6765373452
H         5.3061344652        3.6939381708       19.4878166981
H         6.1262589207        4.4346754729       20.8568991363
H         6.4192308530        5.7684484165       18.7318374007
H         7.9578383470        5.2399983610       19.4011925037
H         6.4581107586        3.9024707861       17.0813844726
H         7.9262714413        4.8687283873       16.9397470238
H         9.5932236518        0.3242155162       17.7298221841
H        11.7967614093        2.1415421466       16.6107385524
H        11.0868225501        2.2835765107       18.2193440306
H        13.2613454595        1.0890429812       18.3235818715
H        11.9513485725        0.0369691474       18.8468066242
H        13.2645252463        0.0319690198       16.0690410967
H        13.4474497384       -1.2052710123       17.3063081819
H        11.7529944815       -1.8892072811       15.5567526636
H        11.0319341723       -1.7741793598       17.1554396143
H         9.5613986773       -0.7119830150       15.4719356545
H        10.8686614003        0.3569844582       14.9422117407
H         9.8914189388        6.3640092220       14.1825803145
H        10.6983001627        4.8924394700       12.3472791438
H        11.9788464622        4.1607187047       13.4554973399
H        10.8769725876        6.2602143666       16.4248280055
H        12.2173754721        5.2150160943       15.8198620273
H        10.6568282617        4.5218770714       16.3377872869
C         7.3002222171        2.9480365877        5.1692013822
C         6.8239144721        2.5748837218        6.4395067342
C         5.4572942397        2.4655744877        6.7175482581
C         4.4985917579        2.7298275629        5.7384116240
C         4.9449694617        3.1099872562        4.4723203398
C         6.3173415022        3.2061839667        4.1924015986
C         5.0396763053        2.0750020411        8.1011034297
C         3.9529977154        3.4544722904        3.3945391163
C         9.3528386487        3.9185969617        3.6323506916
C         8.7356456959        5.1658817599        3.4282344648
C         9.1864131327        6.0688705770        2.4528294022
C        10.2747706219        5.7526922726        1.6411542805
C        10.9175714916        4.5251592961        1.8429254300
C        10.4728924786        3.6362923014        2.8243026529
C         8.5256026205        7.4152361346        2.3397188984
C        12.1243137413        4.2022683123        1.0105098870
C         9.1300199392        1.3264382974        4.4382668234
C         8.9164089740        0.8640762527        3.1270878070
C         8.9878536894       -0.4934813705        2.7935181389
C         9.2740446620       -1.4546090391        3.7733428456
C         9.4815528637       -1.0171508616        5.0888709188
C         9.4061823076        0.3453097786        5.4078710404
C         8.8240711879       -0.8768637054        1.3439525409
C         9.8629702147       -1.9834977571        6.1828761612
C         9.8407709634        3.3794443957        6.0984591550
C        11.1353401266        2.8805638740        6.3410954998
C        11.9507648741        3.3932853423        7.3661739951
C        11.5018652391        4.4266262173        8.1835427463
C        10.2255595895        4.9461896648        7.9461964045
C         9.4182417437        4.4396763644        6.9265137979
C        13.3497100889        2.8698748682        7.5411173269
C         9.7612360458        6.0638132724        8.8245101259
B         8.9078221417        2.8986262164        4.8338401013
H         7.5368283904        2.3612687454        7.2355225759
H         3.4395770113        2.6636483229        5.9614504097
H         6.6227592528        3.4921799497        3.1861263644
H         7.8800173471        5.4465522110        4.0417680193
H        10.6111323073        6.4421021830        0.8740837974
H        11.0051428384        2.6955223097        2.9563033204
H         8.6844823372        1.5804260863        2.3400368632
H         9.3470771179       -2.5075644442        3.5193141490
H         9.5661302485        0.6453583079        6.4430223688
H        11.5269519749        2.0771174077        5.7165703812
H        12.1282591493        4.8180753914        8.9794923363
H         8.4351488439        4.8797186150        6.7703161294
F         9.8776949416        5.7339907534       10.1583991113
F        10.5127168043        7.2013919869        8.6767506738
F         8.4657316298        6.4130858219        8.6090765033
F        14.0908267556        3.1227186776        6.4024026093
F        14.0140045939        3.4255463288        8.5994732680
F        13.4045207111        1.5155903512        7.7240206631
F         9.1896298304       -1.7351916551        7.3568578754
F        11.2113077097       -1.9271246645        6.4757920067
F         9.6071262377       -3.2819125667        5.8771779180
F         8.6361404816       -2.2234133210        1.1756361501
F         9.9262244414       -0.5161011992        0.5915768724
F         7.7619727198       -0.2374248192        0.7417013107
F        12.4216231442        2.8774375321        0.9555592176
F        13.2602391873        4.8111613660        1.4717633338
F        11.9537468598        4.6312995584       -0.2946477950
F         8.8157179784        8.0784374561        1.1811670604
F         8.9022898139        8.2439672841        3.3811739662
F         7.1637092338        7.3378651613        2.4265556408
F         3.9898412949        2.5722434182        2.3477404459
F         4.2183645008        4.6980626304        2.8682349400
F         2.6535198567        3.4693957690        3.8273093441
F         5.4630506749        2.9844871849        9.0480047251
F         3.6883592338        1.9401396856        8.2414709174
F         5.5917064471        0.8662359379        8.4638241868
C         3.6896806140        9.3837263821       14.6991555025
C         4.1655623717        9.7563153588       13.4278752306
C         5.5317371505        9.8700379949       13.1487105597
C         6.4907284453        9.6092700059       14.1286300580
C         6.0451329266        9.2252957376       15.3937536158
C         4.6731663792        9.1262224507       15.6750144014
C         5.9500806358       10.2607216677       11.7645981685
C         7.0368876555        8.8779907304       16.4700167207
C         1.6315016181        8.4171936094       16.2368255065
C         2.2403109791        7.1648077975       16.4335095140
C         1.7966813168        6.2663789867       17.4164474441
C         0.7207427164        6.5932585237       18.2426408128
C         0.0782776000        7.8232347196       18.0411222032
C         0.5185594654        8.7068064907       17.0530519329
C         2.4601885701        4.9186165812       17.5253269062
C        -1.1290603075        8.1420437420       18.8769883553
C         1.8561687338       11.0056319699       15.4267102593
C         2.0756937293       11.4685481928       16.7368283875
C         2.0026799828       12.8258278675       17.0711547284
C         1.7141636064       13.7869141476       16.0917933547
C         1.5032606194       13.3497414718       14.7766545181
C         1.5733726134       11.9865718997       14.4588330406
C         2.1664190468       13.2091785574       18.5208713230
C         1.1264299058       14.3174298097       13.6812584552
C         1.1531620169        8.9423346574       13.7707401467
C        -0.1435358071        9.4335038064       13.5319687251
C        -0.9563736723        8.9182471791       12.5065111589
C        -0.5051512421        7.8940798301       11.6834153639
C         0.7728403117        7.3812367187       11.9186247498
C         1.5796062154        7.8861455065       12.9392522737
C        -2.3439492845        9.4561296028       12.3241625026
C         1.2341773165        6.2689807119       11.0357784779
B         2.0812387658        9.4326451905       15.0333337381
H         3.4514542954        9.9665596422       12.6324271019
H         7.5496450598        9.6783204883       13.9057925885
H         4.3693732416        8.8376692136       16.6812923086
H         3.0867386633        6.8783485932       15.8098104542
H         0.3889340635        5.9068211112       19.0148519286
H        -0.0102998611        9.6496922494       16.9222123798
H         2.3109830268       10.7523551943       17.5231718144
H         1.6425212261       14.8398994918       16.3460344844
H         1.4063451122       11.6854989169       13.4253424775
H        -0.5376746547       10.2355385380       14.1565581444
H        -1.1299592595        7.5045606340       10.8856102171
H         2.5655058484        7.4507110291       13.0907636403
F         1.1136239309        6.6005008470        9.7033108799
F         0.4796293265        5.1324435491       11.1851878113
F         2.5281964030        5.9192546332       11.2541082415
F        -3.0996246876        9.2140538822       13.4596172015
F        -3.0209667845        8.9112277450       11.2668298991
F        -2.3483506281       10.8135399250       12.1402615704
F         1.8001526613       14.0687339763       12.5077018156
F        -0.2216693847       14.2613292283       13.3879614191
F         1.3840210064       15.6161197815       13.9868708331
F         2.3538341260       14.5564364929       18.6883830575
F         1.0642930621       12.8495788766       19.2728504511
F         3.2277745855       12.5693802381       19.1235627512
F        -1.4327622294        9.4620642645       18.9737924327
F        -2.2655386627        7.5285041883       18.3936509077
F        -0.9633880426        7.6970879624       20.1677111732
F         2.1740099948        4.2550866736       18.6831929007
F         2.0832962080        4.0916968865       16.4812762811
F         3.8229715877        4.9963441215       17.4370317209
F         7.0004004091        9.7615492300       17.5165072021
F         6.7714248985        7.6355568625       16.9958711840
F         8.3365244743        8.8638090493       16.0363374018
F         5.5272470906        9.3492763081       10.8166646267
F         7.3014573213       10.3936556787       11.6227361471
F         5.3984205771       11.4678358577       11.3999905405
310
SCF Energy = -2189.7018840994 (a.u.)
Lowest Frequencies = i57.114209  22.123480  26.030356 (cm^-1)
TS(I'rotint-I'rot) / [1-(propene)][BArF4]
C         1.8307978160       10.1858873426        8.0997253280
C         0.5934128206       11.0556091524        7.7963922626
C        -0.2534589461       11.2569566200        9.0644822376
C         0.5793903536       11.8875795643       10.1883964853
C         1.8225548014       11.0397071720       10.4933140239
C         2.6807353605       10.7790625872        9.2406208041
C         4.1845757506        8.6763601525        7.1120590499
C         5.0491559730        8.2428013052        5.9113318427
C         6.1260312800        7.2263131497        6.3209446102
C         5.5034088031        6.0080661427        7.0073854988
C         4.6921737451        6.4417869569        8.2315518473
C         3.6054206886        7.4576930756        7.8578545935
C         3.5995391353       11.3225266632        5.8874278683
C         3.6756549761       11.1931062124        4.3573501083
C         2.8092023069        9.3790383199        2.1438014412
C         3.3808349344       10.3766912426        1.1136405405
C         3.7317918384        9.6651539856       -0.2087631109
C         4.6449664164        8.4480438375       -0.0084628365
C         4.0796055430        7.4916106134        1.0490309950
C         3.7977973325        8.2213964577        2.3738148216
C         1.0027017442       11.4699317795        3.1351854271
C        -0.1440527167       10.8332394634        2.3259123762
C        -1.1374248706       11.8955257190        1.8271603366
C        -1.6820089479       12.7418007146        2.9835667179
C        -0.5360313776       13.3888209358        3.7690116707
C         0.4535177416       12.3307092010        4.2880887833
Rh        1.4198404774        8.7583463884        5.1942954845
P         2.2281725881       10.1913869950        3.7178188144
P         2.8028390463        9.7880847775        6.5663322441
C        -1.3381387662        7.4388767829        4.6667720987
C         0.0204098297        7.0352875808        5.1637911819
C         1.0950199000        6.6494979034        4.3755504862
H         1.4633017062        9.1964849846        8.4220016121
H         0.9082597434       12.0376775591        7.4125840599
H        -0.0085800693       10.5844711499        7.0030513047
H        -0.6488144147       10.2843550697        9.3953553996
H        -1.1263585798       11.8826222791        8.8295291894
H        -0.0298746116       12.0005587965       11.0973925240
H         0.8852472625       12.9014921679        9.8919124769
H         2.4466848974       11.5406457166       11.2485538681
H         1.5079365302       10.0778496241       10.9256764742
H         3.5114467287       10.1080167689        9.4950319587
H         3.1276083730       11.7218100730        8.9063821118
H         4.8051914059        9.2680703050        7.8067095311
H         5.5218949163        9.1169465557        5.4430574152
H         4.3905822916        7.7923938425        5.1543114182
H         6.8447733220        7.7015178592        7.0014916217
H         6.6956420543        6.9297855286        5.4272803508
H         6.2791679107        5.2906271419        7.3070723051
H         4.8525368102        5.4766220755        6.2981669690
H         4.2270998731        5.5749847407        8.7231738682
H         5.3681668120        6.8945608739        8.9714570545
H         3.0769210398        7.7793089575        8.7631647845
H         2.8563078642        6.9679959615        7.2132599008
H         4.5869833222       11.4869885927        6.3415655858
H         2.9616632422       12.1676396197        6.1794163624
H         4.5865603056       10.6574858692        4.0568225009
H         3.6988418747       12.1745315484        3.8623437415
H         1.8825877742        8.9428304171        1.7340633852
H         4.2852936258       10.8467902855        1.5249781070
H         2.6713161660       11.1882779627        0.9083412203
H         4.2100528517       10.3915754448       -0.8827492009
H         2.8002685557        9.3419261972       -0.6971599624
H         5.6445646674        8.7826683575        0.3011455294
H         4.7787466788        7.9199110404       -0.9647091053
H         4.7760980376        6.6607718766        1.2243983351
H         3.1456022750        7.0379122420        0.6834910457
H         4.7421030076        8.6135942772        2.7804480018
H         3.3957733370        7.5235941783        3.1200253954
H         1.5843382529       12.1270232001        2.4655810618
H        -0.6703509863       10.1033482259        2.9616106445
H         0.2532585182       10.2754374875        1.4692795049
H        -1.9569733180       11.4051743974        1.2837197820
H        -0.6320583440       12.5507882139        1.1008966900
H        -2.2787345395       12.1087676893        3.6560647473
H        -2.3668319562       13.5087866639        2.5948483878
H        -0.9187101331       13.9725551107        4.6186528634
H        -0.0061317407       14.1016337371        3.1220124925
H         1.2741691971       12.8238711765        4.8292849666
H        -0.0541574251       11.6744377108        5.0104987410
H         0.0810590439        6.8095839290        6.2398940343
H        -2.0547237870        6.6149335528        4.8141458396
H        -1.3206453947        7.6747861504        3.5967168324
H         1.9244998100        6.0771516170        4.7886652194
H         1.0168621435        6.6501939348        3.2875748966
H        -1.7389449881        8.3086759104        5.2070709855
C         9.2533248711        2.2164776858       11.7349610649
C        10.4875919591        1.3381539327       12.0231717346
C        11.2902769663        1.0979447543       10.7334477659
C        10.4156707128        0.4456932546        9.6534607654
C         9.1565641697        1.2812669124        9.3791881756
C         8.3537419804        1.5771768704       10.6613091373
C         6.9342700344        3.7464807221       12.7593584305
C         6.0942884859        4.2172022550       13.9644797302
C         4.9583886294        5.1606675329       13.5357419343
C         5.4973986757        6.3550973889       12.7446895334
C         6.2766225069        5.8743726843       11.5175260771
C         7.4231883609        4.9353928973       11.9140450015
C         7.6016895158        1.1426485619       13.9681966016
C         7.4010826020        1.2277446246       15.4903743127
C         8.1731652474        2.9340136728       17.8308751755
C         7.4167218027        1.9587712176       18.7499653884
C         7.0494930973        2.6386567663       20.0826262162
C         6.2628386410        3.9402772205       19.8737209333
C         6.9866567312        4.8903320973       18.9097469782
C         7.3292280506        4.1997163584       17.5781589027
C        10.0345364798        0.8946083599       16.8427496037
C        11.3082325210        1.6049130970       17.3442102330
C        12.3410906125        0.6010781855       17.8747666073
C        12.6907735804       -0.4418222772       16.8063487594
C        11.4301777302       -1.1512146072       16.2972914566
C        10.3867437930       -0.1501715134       15.7658819809
Rh        9.6772467625        3.6975646036       14.8051963759
P         8.8077933220        2.1641488540       16.2625969850
P         8.3770298555        2.7021605905       13.2988311108
C        11.0117781244        4.7483415546       13.3217923685
C        10.5396563574        5.5984698781       14.3173938514
C        11.0475912024        5.4850320512       15.7207798033
H         9.6208931765        3.1781179938       11.3438140352
H        10.1665854361        0.3665304679       12.4292244076
H        11.1146779211        1.8119392624       12.7932584549
H        11.6810850266        2.0589806762       10.3656747233
H        12.1665693895        0.4710028668       10.9519993013
H        10.9904082068        0.3158045959        8.7241907087
H        10.1246767733       -0.5632138494        9.9807590585
H         8.5044572246        0.7592495140        8.6628059405
H         9.4492414570        2.2325056868        8.9087987407
H         7.5055877519        2.2316722700       10.4198964382
H         7.9309231418        0.6425244041       11.0473899128
H         6.3102567400        3.0914682251       12.1276623097
H         5.6716753465        3.3541604355       14.4975829131
H         6.7587125215        4.7354126445       14.6731208818
H         4.2342696209        4.6113812610       12.9190153440
H         4.4125279054        5.4938603113       14.4315267939
H         4.6796079594        7.0193789243       12.4344571417
H         6.1538417582        6.9572398604       13.3885799449
H         6.6844192898        6.7267919101       10.9549231887
H         5.5930415147        5.3469218003       10.8360712701
H         7.9297045942        4.5738324743       11.0118030478
H         8.1708496226        5.5009132930       12.4907882149
H         6.6565037300        0.9430551238       13.4431377228
H         8.2882548915        0.3227850855       13.7168722908
H         6.4850528577        1.7830715594       15.7340827396
H         7.3024936024        0.2307961619       15.9433844785
H         9.0990397026        3.2492640952       18.3427518956
H         6.4983263821        1.6277752902       18.2463184224
H         8.0088330522        1.0565793809       18.9472602953
H         6.4685305140        1.9351066137       20.6972789570
H         7.9747318632        2.8605140162       20.6373976806
H         5.2656606720        3.7065248010       19.4760504497
H         6.0993877112        4.4387682589       20.8408876333
H         6.3728410517        5.7814056223       18.7190943766
H         7.9174142100        5.2509471201       19.3726644133
H         6.3993314171        3.9236664148       17.0580541679
H         7.8654704164        4.8912085449       16.9104060998
H         9.5613116455        0.3694088504       17.6891492574
H        11.7435144410        2.1704582664       16.5037038610
H        11.0655520188        2.3371063839       18.1241690258
H        13.2403668789        1.1385491723       18.2058292826
H        11.9378505376        0.0964207441       18.7661997680
H        13.2023654425        0.0505670518       15.9664755232
H        13.4032345188       -1.1713716722       17.2169187159
H        11.6780981237       -1.8723023785       15.5049352733
H        10.9855781745       -1.7368898322       17.1145411718
H         9.4862561844       -0.6940645615       15.4450539331
H        10.7849783700        0.3661836913       14.8785684496
H         9.8206209636        6.3850332354       14.0877096927
H        10.6711915254        4.8814916179       12.2980806601
H        11.9344348068        4.1807224724       13.4444600158
H        10.7600553625        6.3325256929       16.3509705634
H        12.1259444857        5.2955656746       15.7907066487
H        10.5662593365        4.5890465710       16.2911204935
C         7.2993233679        2.9469425606        5.1668964816
C         6.8229594016        2.5763080213        6.4379181302
C         5.4564208065        2.4666401448        6.7166688021
C         4.4974200090        2.7296725499        5.7373450210
C         4.9441200803        3.1085984335        4.4709285608
C         6.3161796683        3.2033311643        4.1899150181
C         5.0394156520        2.0761889928        8.1005691059
C         3.9523963723        3.4556608924        3.3941701124
C         9.3485324486        3.9184882564        3.6278260070
C         8.7282338093        5.1635871901        3.4201325421
C         9.1776412801        6.0654312622        2.4433368163
C        10.2648688505        5.7487756163        1.6303468616
C        10.9130747671        4.5250745447        1.8379315250
C        10.4708127506        3.6384479475        2.8225050865
C         8.5235299781        7.4153553292        2.3380188351
C        12.1225984911        4.2031510221        1.0089360310
C         9.1317678551        1.3275323554        4.4357582661
C         8.9158674568        0.8646953370        3.1251097950
C         8.9888985922       -0.4928690550        2.7921697948
C         9.2770399015       -1.4539959246        3.7714610885
C         9.4855493230       -1.0163162624        5.0869113631
C         9.4113447751        0.3465624064        5.4048231981
C         8.8247569726       -0.8767955131        1.3433633755
C         9.8641517337       -1.9830232145        6.1821271727
C         9.8395951256        3.3829356681        6.0957029678
C        11.1332373597        2.8828190934        6.3402458572
C        11.9497087247        3.3943559804        7.3650067340
C        11.5005181470        4.4274625802        8.1821931862
C        10.2248571537        4.9483161265        7.9436695798
C         9.4177796013        4.4444076671        6.9223801970
C        13.3492821008        2.8713160774        7.5400697960
C         9.7608475137        6.0645941392        8.8234623005
B         8.9070792785        2.8997868756        4.8314331731
H         7.5362349223        2.3650939750        7.2339855112
H         3.4381366152        2.6656878437        5.9602753853
H         6.6209127776        3.4879425896        3.1829521814
H         7.8732706455        5.4450743786        4.0341653458
H        10.6006710937        6.4379151720        0.8626459698
H        11.0076695034        2.7013029554        2.9603886998
H         8.6810225812        1.5804770930        2.3381606869
H         9.3511230947       -2.5067480937        3.5164390776
H         9.5720124026        0.6472680797        6.4395949688
H        11.5225543655        2.0781619757        5.7162863051
H        12.1263709550        4.8183911877        8.9787691652
H         8.4354641122        4.8861540743        6.7655523235
F         9.8775319463        5.7339918068       10.1577085716
F        10.5126491240        7.2017079624        8.6764939004
F         8.4649864653        6.4134287426        8.6087926681
F        14.0908476578        3.1228214557        6.4025858353
F        14.0136536596        3.4257114357        8.5993149698
F        13.4041952974        1.5161546955        7.7238867036
F         9.1896293508       -1.7349398280        7.3560988800
F        11.2117126716       -1.9271892301        6.4757365359
F         9.6069817654       -3.2815143016        5.8769726355
F         8.6362503049       -2.2230761732        1.1755774787
F         9.9264281065       -0.5160440661        0.5911003285
F         7.7622068238       -0.2368037011        0.7412535271
F        12.4216742692        2.8786416393        0.9552810590
F        13.2592851788        4.8123664109        1.4723538512
F        11.9539206296        4.6312641177       -0.2953728318
F         8.8151898854        8.0789902854        1.1805181755
F         8.9026559424        8.2422972164        3.3805329603
F         7.1613462260        7.3386352952        2.4263000818
F         3.9896714695        2.5721331924        2.3471652964
F         4.2184510353        4.6983428406        2.8681541192
F         2.6536956399        3.4696056740        3.8272695288
F         5.4628969948        2.9848621144        9.0477350121
F         3.6882954082        1.9402958173        8.2413279016
F         5.5917618965        0.8670495612        8.4636009567
C         3.6886452027        9.3838039659       14.6979581535
C         4.1649522524        9.7577250109       13.4272319791
C         5.5311981623        9.8707807452       13.1484269943
C         6.4900469305        9.6087656964       14.1281525564
C         6.0443027049        9.2237170706       15.3929262564
C         4.6720716140        9.1241216010       15.6733944091
C         5.9499713940       10.2605908227       11.7643240115
C         7.0363334064        8.8775374215       16.4696465030
C         1.6282326003        8.4172261912       16.2340384843
C         2.2369628984        7.1645948697       16.4302243650
C         1.7942701679        6.2658425605       17.4134691567
C         0.7181898163        6.5924826329       18.2394809124
C         0.0759330588        7.8226238471       18.0389237947
C         0.5156071372        8.7068190760       17.0509584663
C         2.4590105274        4.9185506566       17.5241188561
C        -1.1297535959        8.1404920135       18.8776715407
C         1.8546678511       11.0063986992       15.4248996894
C         2.0706745716       11.4689094105       16.7357583114
C         1.9997037780       12.8262571677       17.0704203365
C         1.7125360631       13.7876612311       16.0910724761
C         1.5033939109       13.3505648950       14.7757281790
C         1.5750270570       11.9878246045       14.4566811143
C         2.1655825666       13.2095804750       18.5198623937
C         1.1264438819       14.3181884879       13.6809301882
C         1.1529510052        8.9449486883       13.7675065854
C        -0.1435043717        9.4362856354       13.5284644943
C        -0.9562724113        8.9201189749       12.5036025314
C        -0.5053934402        7.8957524359       11.6805198450
C         0.7723738759        7.3826462044       11.9164350551
C         1.5790436902        7.8881897172       12.9366520584
C        -2.3440489100        9.4567635368       12.3228946258
C         1.2337167826        6.2694387280       11.0348587947
B         2.0797479459        9.4334156800       15.0313972069
H         3.4511327236        9.9689142856       12.6317066875
H         7.5489377375        9.6783743006       13.9054423627
H         4.3677129158        8.8337345441       16.6788892350
H         3.0830922697        6.8783962870       15.8060575344
H         0.3866465045        5.9065814697       19.0122226639
H        -0.0129854729        9.6501635450       16.9214397020
H         2.3025613715       10.7519861479       17.5221192877
H         1.6411245200       14.8407236752       16.3451040030
H         1.4108119758       11.6878334136       13.4223034330
H        -0.5380624167       10.2384802653       14.1526560787
H        -1.1302406077        7.5063075203       10.8827640920
H         2.5646197572        7.4524049692       13.0889115635
F         1.1136411219        6.6005307009        9.7027402582
F         0.4795712088        5.1327423790       11.1851945952
F         2.5275996071        5.9193752839       11.2539071595
F        -3.0994846637        9.2140713106       13.4591335928
F        -3.0213688533        8.9113588479       11.2663689782
F        -2.3485573741       10.8140878442       12.1400877171
F         1.8002571433       14.0689790630       12.5074484374
F        -0.2215990729       14.2614849168       13.3879211987
F         1.3842058794       15.6167617405       13.9866986230
F         2.3533455189       14.5564214081       18.6882246913
F         1.0638655384       12.8497191203       19.2726266780
F         3.2274221502       12.5700921719       19.1227442904
F        -1.4328520810        9.4620321169       18.9725943447
F        -2.2662894876        7.5281897380       18.3937042763
F        -0.9635776896        7.6975655676       20.1676122358
F         2.1738000277        4.2553955468       18.6828915638
F         2.0831961753        4.0913006015       16.4809281368
F         3.8221849106        4.9966013714       17.4368441256
F         7.0001865230        9.7613822714       17.5161460628
F         6.7713691141        7.6354632885       16.9958564258
F         8.3362699624        8.8636694843       16.0362741908
F         5.5271691613        9.3493939089       10.8165398480
F         7.3013680112       10.3936820187       11.6227415094
F         5.3982906152       11.4678898140       11.3998093707
310
SCF Energy = -2189.7147726276 (a.u.)
Lowest Frequencies = 15.451926  29.823730  30.115782 (cm^-1)
I'rot / [1-(propene)][BArF4]
C         1.7015883447       10.0406644508        8.0920430984
C         0.4464501237       10.8923138785        7.8121580377
C        -0.3379589689       11.1446058471        9.1107225400
C         0.5434870280       11.8277231307       10.1659202313
C         1.8162663131       11.0122942221       10.4363375334
C         2.6034388311       10.7109919099        9.1462998993
C         4.0413883332        8.5401103896        7.0582384422
C         4.8294421963        8.0269428761        5.8348033987
C         5.9968212282        7.1129887852        6.2433883821
C         5.5153119527        5.9539590690        7.1188176433
C         4.7968986556        6.4859164481        8.3611526667
C         3.6136783960        7.3815760557        7.9750043952
C         3.3709103928       11.1325568602        5.8760202452
C         3.5695427228       11.0689917844        4.3524226550
C         2.7948145733        9.3937448082        1.9885383075
C         3.5089112763       10.3692363365        1.0387747005
C         3.8957394358        9.6695504561       -0.2778812340
C         4.7143832428        8.3918124997       -0.0443149103
C         4.0153128365        7.4439508497        0.9397617573
C         3.6671932850        8.1520013140        2.2600224280
C         0.9919401327       11.5020692044        2.9945489359
C        -0.1690666256       10.9145105410        2.1712408917
C        -1.1704891413       11.9954150582        1.7367624184
C        -1.6993285485       12.7763292341        2.9445261121
C        -0.5399306883       13.4004740084        3.7275661249
C         0.4684750687       12.3318914047        4.1845787620
Rh        1.2275713302        8.6564191838        5.0010254509
P         2.1573722098       10.1605274842        3.5532477811
P         2.5835154705        9.5722294311        6.5269809397
C        -0.6417029913        7.4178126461        4.1513480639
C        -0.5083174555        7.5687383294        5.6313696921
C         0.5176053283        6.9267509071        6.3151609289
H         1.3598958786        9.0696410488        8.4870173619
H         0.7420140174       11.8602820308        7.3793087382
H        -0.1847832053       10.3933622965        7.0616386497
H        -0.7098892467       10.1852739216        9.5016808942
H        -1.2263291889       11.7553652723        8.8941698175
H        -0.0192463798       11.9675695505       11.1008746732
H         0.8177841812       12.8336855757        9.8155664572
H         2.4719735370       11.5529827301       11.1355626626
H         1.5430118260       10.0640815007       10.9238896331
H         3.4702422595       10.0789262308        9.3820307456
H         2.9995213883       11.6496984773        8.7395790625
H         4.6887897482        9.2244658959        7.6327054592
H         5.2153999802        8.8700586512        5.2451131958
H         4.1383744256        7.4732501845        5.1802409772
H         6.7486981497        7.6961345127        6.7918407632
H         6.4925993765        6.7409886078        5.3339644597
H         6.3550170342        5.3109955493        7.4139979404
H         4.8306826823        5.3173182983        6.5413183076
H         4.4324818234        5.6564704448        8.9841374897
H         5.5055663632        7.0556760947        8.9798325581
H         3.1331421775        7.7704915132        8.8804063420
H         2.8641092702        6.7702236456        7.4558002362
H         4.3191045036       11.3179419291        6.4005481386
H         2.6926055196       11.9544297584        6.1419341819
H         4.4872393259       10.5210759525        4.0992529535
H         3.6655395837       12.0734452109        3.9154200783
H         1.8719376420        9.0394141807        1.4973032316
H         4.4149409038       10.7538721703        1.5272243072
H         2.8770039517       11.2393633138        0.8217782609
H         4.4591661216       10.3741384708       -0.9075611525
H         2.9771969076        9.4127191499       -0.8281388829
H         5.7061869701        8.6575573224        0.3469457167
H         4.8884339833        7.8780115446       -1.0016207526
H         4.6477439325        6.5689268973        1.1423520193
H         3.0893902647        7.0560320920        0.4894003267
H         4.5953635824        8.4546790915        2.7680583428
H         3.1449385387        7.4640025714        2.9427253737
H         1.5876869863       12.1634726166        2.3430078120
H        -0.6959379733       10.1634205974        2.7803087150
H         0.2161066638       10.3922380692        1.2875132159
H        -1.9954246371       11.5266618516        1.1830712105
H        -0.6797824134       12.6896191870        1.0380433117
H        -2.2703435624       12.1036938442        3.6010280557
H        -2.4045866492       13.5500199824        2.6103559967
H        -0.9047783235       13.9493974335        4.6078787750
H        -0.0306092686       14.1397895595        3.0941280569
H         1.3038995388       12.8178251867        4.7090225592
H        -0.0099858094       11.6529778587        4.9074967723
H        -1.2486231083        8.1635420767        6.1669242637
H        -1.5944642418        7.7923199033        3.7666421675
H        -0.4401673982        6.4035725114        3.7850520347
H         0.5726699030        7.0163048214        7.3970050679
H         1.0685923002        6.0968220056        5.8711091942
H         0.1294885031        8.0752112887        3.5606422921
C         9.2916595592        2.2132490504       11.7734138338
C        10.5301115370        1.3380360536       12.0537584028
C        11.3277601356        1.1048584724       10.7595882245
C        10.4501135721        0.4537150838        9.6811222646
C         9.1867445904        1.2857418321        9.4150673747
C         8.3889383689        1.5741242610       10.7021369501
C         6.9768970506        3.7374314958       12.8147018248
C         6.1252584118        4.1820429603       14.0211218112
C         4.9896354565        5.1296817800       13.6007270284
C         5.5311885272        6.3414844478       12.8386972785
C         6.3239566909        5.8880348827       11.6099212677
C         7.4692446474        4.9444313079       11.9974016535
C         7.6548442164        1.1285438405       14.0121497462
C         7.4555444627        1.2138633463       15.5344546438
C         8.2247414256        2.9274871357       17.8691646680
C         7.4653455623        1.9545881652       18.7882396584
C         7.0889489705        2.6384478997       20.1162678104
C         6.3009764438        3.9376900662       19.8983758824
C         7.0319338668        4.8859632135       18.9382696864
C         7.3824615523        4.1929772869       17.6105130639
C        10.0900138969        0.8892255831       16.8846117350
C        11.3683620188        1.6048570063       17.3644709721
C        12.3996003944        0.6073485681       17.9071659724
C        12.7398269771       -0.4561776054       16.8564799201
C        11.4750472347       -1.1677992343       16.3609173473
C        10.4334879694       -0.1700328442       15.8191571641
Rh        9.7282309821        3.6866148313       14.8440433444
P         8.8609806880        2.1546158444       16.3026013829
P         8.4218557285        2.6917334980       13.3426577218
C        11.0522323962        4.7431592303       13.3520103099
C        10.5908279845        5.5880204798       14.3566510932
C        11.1104497627        5.4646599484       15.7544933304
H         9.6546949954        3.1769798502       11.3832521685
H        10.2140857644        0.3640608922       12.4581293404
H        11.1590353120        1.8111890510       12.8227744425
H        11.7140019140        2.0685235767       10.3938083333
H        12.2072119364        0.4802241470       10.9718884257
H        11.0212741722        0.3292877030        8.7489194946
H        10.1641057288       -0.5572859413       10.0065221442
H         8.5330634780        0.7640306248        8.6998075169
H         9.4737127251        2.2397203743        8.9468300493
H         7.5368223115        2.2261049384       10.4666191170
H         7.9719519083        0.6364152842       11.0874553131
H         6.3606334884        3.0924579405       12.1653935898
H         5.7012434817        3.3077004244       14.5344092353
H         6.7816007809        4.6901444151       14.7443110955
H         4.2735537748        4.5902100708       12.9661384093
H         4.4343656680        5.4421802477       14.4980900000
H         4.7133063386        7.0083546047       12.5336316668
H         6.1786612402        6.9335447673       13.5006803197
H         6.7323794292        6.7521270110       11.0661954140
H         5.6486561840        5.3715970245       10.9125360542
H         7.9840841842        4.6017291353       11.0926996344
H         8.2104541718        5.4995373548       12.5923147266
H         6.7104488967        0.9234966027       13.4877955189
H         8.3460139995        0.3123894188       13.7610137915
H         6.5382126010        1.7663404861       15.7793423949
H         7.3616568100        0.2170391937       15.9887018527
H         9.1496289873        3.2429510336       18.3827022155
H         6.5500504517        1.6180859376       18.2821597510
H         8.0595847885        1.0554256601       18.9918840975
H         6.5063477889        1.9358498959       20.7304049232
H         8.0103530036        2.8649199316       20.6753120958
H         5.3076564794        3.7007219114       19.4924255190
H         6.1280465474        4.4383232269       20.8628340146
H         6.4211699033        5.7778101772       18.7422456437
H         7.9601592197        5.2455227879       19.4067869969
H         6.4551361567        3.9160968247       17.0863715798
H         7.9223497514        4.8831349189       16.9442660666
H         9.6247452053        0.3752602032       17.7422973565
H        11.8000614312        2.1533156948       16.5108895267
H        11.1326516418        2.3520228897       18.1317407461
H        13.3024509703        1.1470509507       18.2236679513
H        11.9992148796        0.1208154829       18.8097161574
H        13.2526739088        0.0186739799       16.0073771862
H        13.4490578470       -1.1817347207       17.2788043336
H        11.7187614731       -1.9002053405       15.5775196089
H        11.0300901552       -1.7414751811       17.1866858262
H         9.5303103004       -0.7149439252       15.5082425517
H        10.8310127917        0.3337680828       14.9242161401
H         9.8714854382        6.3775562592       14.1382143801
H        10.7018846490        4.8827919578       12.3323199494
H        11.9746412060        4.1727725589       13.4630419086
H        10.8339264307        6.3111130142       16.3905527094
H        12.1879691426        5.2679866166       15.8137016331
H        10.6280818495        4.5697327350       16.3260278951
C         7.3015023185        2.9482137586        5.1690643637
C         6.8248575415        2.5728594433        6.4389097439
C         5.4584285735        2.4594129873        6.7160203389
C         4.4999649751        2.7207179770        5.7356500144
C         4.9459886578        3.1084050022        4.4716565436
C         6.3185718023        3.2088607793        4.1929802810
C         5.0400957929        2.0719975883        8.1010561701
C         3.9536168888        3.4562694645        3.3951427328
C         9.3574361145        3.9216203792        3.6364406412
C         8.7430986556        5.1708042425        3.4350656420
C         9.1855054795        6.0679664225        2.4505264369
C        10.2651932376        5.7466935414        1.6285107642
C        10.9140183744        4.5234858743        1.8372703665
C        10.4745789654        3.6385151429        2.8250384843
C         8.5237890006        7.4133435374        2.3368826172
C        12.1228683807        4.2020129500        1.0078472510
C         9.1350527659        1.3277558927        4.4371511418
C         8.9180729340        0.8651135135        3.1265880636
C         8.9887721536       -0.4926083308        2.7931204409
C         9.2751325045       -1.4538759861        3.7727185794
C         9.4859718546       -1.0165329945        5.0877436333
C         9.4147012832        0.3463388436        5.4058567201
C         8.8240645158       -0.8765888068        1.3443532065
C         9.8625890729       -1.9833561226        6.1834533386
C         9.8412284793        3.3798852511        6.1003780724
C        11.1342709072        2.8796457437        6.3448757627
C        11.9489302605        3.3901178990        7.3714587242
C        11.4973562046        4.4195256805        8.1914701216
C        10.2238719448        4.9434491235        7.9494835396
C         9.4191861728        4.4419591218        6.9257739371
C        13.3488307599        2.8692649905        7.5433280893
C         9.7598513947        6.0622340197        8.8251971548
B         8.9102345974        2.8994939102        4.8353609666
H         7.5377454488        2.3611604962        7.2354030025
H         3.4408134249        2.6511696271        5.9576705717
H         6.6234975597        3.4998751628        3.1879660076
H         7.8938640477        5.4552774337        4.0555317101
H        10.5953801606        6.4317135113        0.8546265673
H        11.0089559134        2.6995291850        2.9600876393
H         8.6832113383        1.5809307586        2.3398863580
H         9.3440423087       -2.5070552430        3.5187775832
H         9.5763328285        0.6464009469        6.4407211886
H        11.5250480119        2.0761525159        5.7202262262
H        12.1212466193        4.8073018160        8.9908856197
H         8.4380210876        4.8849400287        6.7660075090
F         9.8774962377        5.7341499409       10.1590508034
F        10.5124041468        7.2010536769        8.6770016615
F         8.4653879522        6.4135007999        8.6087710100
F        14.0902009709        3.1229378605        6.4031093326
F        14.0141265687        3.4255594398        8.6000016135
F        13.4047891386        1.5150287641        7.7241728491
F         9.1898048577       -1.7350553159        7.3563271340
F        11.2115205674       -1.9277012042        6.4757819134
F         9.6056784492       -3.2830626325        5.8769954163
F         8.6364602596       -2.2231401526        1.1756016846
F         9.9261270302       -0.5159708116        0.5911530353
F         7.7623729818       -0.2369545165        0.7415576401
F        12.4219583583        2.8782338713        0.9550879879
F        13.2589268247        4.8127539800        1.4732376124
F        11.9541126043        4.6314059255       -0.2953024808
F         8.8154779553        8.0784572051        1.1812493661
F         8.9045369149        8.2430325619        3.3826095419
F         7.1638767578        7.3382561429        2.4266487805
F         3.9896966152        2.5722789140        2.3475961621
F         4.2187572396        4.6981949454        2.8681733940
F         2.6539716550        3.4699674303        3.8275792858
F         5.4631070515        2.9840489391        9.0471300046
F         3.6884237876        1.9400078972        8.2412783380
F         5.5914564019        0.8648388277        8.4646006302
C         3.6897931842        9.3829895436       14.6976460157
C         4.1652361522        9.7583728751       13.4270295368
C         5.5314656761        9.8711115550       13.1479901824
C         6.4905368732        9.6102010464       14.1278225581
C         6.0451980489        9.2243253093       15.3924955815
C         4.6732436358        9.1225296448       15.6725765774
C         5.9494393561       10.2606101855       11.7631956108
C         7.0366981692        8.8778037373       16.4691474115
C         1.6311189852        8.4177836410       16.2363657980
C         2.2385817328        7.1642259518       16.4311297801
C         1.7962366151        6.2659138961       17.4146676145
C         0.7215456050        6.5930955653       18.2422430440
C         0.0795499039        7.8233608919       18.0423578359
C         0.5198446988        8.7080437314       17.0548652007
C         2.4600512263        4.9183281066       17.5245157430
C        -1.1285490874        8.1396192094       18.8778761633
C         1.8587334966       11.0064386792       15.4253714267
C         2.0775281238       11.4696886540       16.7355447049
C         2.0030382895       12.8269009529       17.0698641569
C         1.7132092248       13.7874242162       16.0904878775
C         1.5047629402       13.3499371749       14.7751281893
C         1.5780073394       11.9871056844       14.4564342807
C         2.1668996159       13.2104776267       18.5191603147
C         1.1269819547       14.3175456298       13.6802035956
C         1.1535412663        8.9439821195       13.7700578799
C        -0.1428963306        9.4355021441       13.5306361103
C        -0.9564074013        8.9184548363       12.5066010233
C        -0.5061897209        7.8919286295       11.6859805178
C         0.7720992581        7.3799043057       11.9211843655
C         1.5798011992        7.8868371730       12.9398691512
C        -2.3439138194        9.4565430436       12.3239062070
C         1.2341485815        6.2676697367       11.0395476470
B         2.0818363437        9.4332144193       15.0326997089
H         3.4514390478        9.9713211377       12.6317027589
H         7.5493521109        9.6803964384       13.9049010734
H         4.3691502447        8.8305530304       16.6775016209
H         3.0835084594        6.8772583517       15.8056576033
H         0.3905081294        5.9069503417       19.0149621437
H        -0.0082613777        9.6516294239       16.9256223858
H         2.3151637820       10.7541886716       17.5216801164
H         1.6396244730       14.8403096346       16.3445160744
H         1.4150290288       11.6866068044       13.4217995272
H        -0.5367147424       10.2387890418       14.1538501570
H        -1.1319096208        7.5003981354       10.8898674167
H         2.5660926460        7.4521944836       13.0910233462
F         1.1130087385        6.6000992859        9.7059552417
F         0.4795792378        5.1317412431       11.1855385160
F         2.5280189316        5.9190624181       11.2545599597
F        -3.0996668581        9.2141218631       13.4596012066
F        -3.0209451502        8.9111935397       11.2669715944
F        -2.3483138689       10.8136228651       12.1403797794
F         1.8001690596       14.0687892504       12.5072297596
F        -0.2215401701       14.2612773319       13.3880252519
F         1.3841061952       15.6163345786       13.9866824302
F         2.3536332002       14.5571233486       18.6882658905
F         1.0647095741       12.8497883499       19.2723302410
F         3.2279720211       12.5708067538       19.1224140654
F        -1.4330873580        9.4602867306       18.9727038871
F        -2.2656580144        7.5279859105       18.3937898455
F        -0.9637727524        7.6968281292       20.1687052501
F         2.1739541533        4.2551362366       18.6829772024
F         2.0833718401        4.0914193730       16.4810726144
F         3.8228842435        4.9963803363       17.4370056686
F         7.0002948263        9.7614125817       17.5162494372
F         6.7715462001        7.6355102108       16.9957065706
F         8.3366273735        8.8639299410       16.0363674359
F         5.5268579098        9.3495383955       10.8165846363
F         7.3014603340       10.3936782930       11.6226761816
F         5.3982463541       11.4680530874       11.3996945331
310
SCF Energy = -2189.6838429354 (a.u.)
Lowest Frequencies = i81.626387  21.486402  31.418676 (cm^-1)
TS(II-IIrot) / [1-(propene)][BArF4]
C         1.6615161855        9.9751168662        8.0577254904
C         0.4061602232       10.8396445841        7.8172902861
C        -0.3461143218       11.0899410730        9.1348316634
C         0.5549781167       11.7647386975       10.1755679161
C         1.8238946604       10.9363222327       10.4129315932
C         2.5863999870       10.6391432556        9.1063827845
C         4.0542231372        8.5466893346        7.0617753966
C         4.9431077360        8.1027293319        5.8828797431
C         6.0959456122        7.1924072318        6.3396748810
C         5.5769605485        5.9935790078        7.1357307977
C         4.7980846316        6.4770473433        8.3610909663
C         3.6190546047        7.3716272705        7.9572083335
C         3.3272206640       11.1387938826        5.8804796810
C         3.5483489139       11.0713239900        4.3656914021
C         2.7924134886        9.3262756098        2.0498938926
C         3.4407071150       10.3340541870        1.0742228514
C         3.8438365360        9.6426426848       -0.2433855146
C         4.7294217071        8.4093981739       -0.0225514634
C         4.1045119553        7.4448245612        0.9925137928
C         3.7605532607        8.1572659541        2.3123273718
C         0.9719234611       11.4402220413        2.9754515826
C        -0.2502087304       10.7757901173        2.3128547841
C        -1.2603542049       11.8082374707        1.7929812185
C        -1.6864550110       12.7746432292        2.9032844430
C        -0.4622041177       13.4719811304        3.5059338684
C         0.5512897699       12.4518616982        4.0588184011
Rh        1.1690373077        8.6751936846        5.0171188390
P         2.1440865121       10.1351363254        3.6005208715
P         2.5871344810        9.5474688767        6.4950460244
C        -0.5305523549        7.2861203126        5.3719778382
C         0.6361057662        6.6215423293        5.8189939550
C         1.7500632132        6.4237609714        4.9783503462
H         1.3281048650        8.9979333697        8.4440841352
H         0.6980750997       11.8077542167        7.3817910020
H        -0.2536365050       10.3507790457        7.0898555335
H        -0.7147716820       10.1302399841        9.5277065134
H        -1.2366400330       11.7029525378        8.9341109341
H         0.0116746558       11.9013025998       11.1224306757
H         0.8290239509       12.7710796406        9.8259906624
H         2.5021775785       11.4646724124       11.1001774861
H         1.5529247091        9.9867819993       10.8981871859
H         3.4547447888       10.0063513283        9.3312027185
H         2.9767668678       11.5811287513        8.6994453711
H         4.6345496211        9.2562167709        7.6775348634
H         5.3558184077        8.9822522514        5.3689078543
H         4.3238104762        7.5699990889        5.1488173950
H         6.7963806681        7.7634320747        6.9631645400
H         6.6634628504        6.8689663635        5.4541985651
H         6.4046095702        5.3441577334        7.4494387912
H         4.9289393418        5.3741393983        6.4989071882
H         4.4192534595        5.6272955960        8.9468146260
H         5.4751616113        7.0371223481        9.0227963261
H         3.1225039437        7.7513189778        8.8575123842
H         2.8773621408        6.7600306838        7.4283482380
H         4.2572204233       11.3459272960        6.4286712027
H         2.6127733929       11.9332954299        6.1352481923
H         4.4708571831       10.5269607654        4.1234757216
H         3.6294904945       12.0715716659        3.9164400103
H         1.8862017658        8.9125989715        1.5757352481
H         4.3331130544       10.7700590170        1.5454800397
H         2.7649697860       11.1675075925        0.8485241199
H         4.3626157205       10.3757872854       -0.8792816166
H         2.9311023362        9.3424748851       -0.7802755555
H         5.7187053067        8.7242943032        0.3363695032
H         4.8987378909        7.8945030837       -0.9801249060
H         4.7859693375        6.6072543348        1.1927841178
H         3.1873689972        7.0021008450        0.5754399432
H         4.6854092176        8.5396553524        2.7702269747
H         3.3264782169        7.4484082530        3.0270183341
H         1.5400901602       11.9894426752        2.2066795472
H        -0.7455415968       10.1282915795        3.0537320901
H         0.0707788960       10.1260971775        1.4907919692
H        -2.1303443721       11.2846014291        1.3740401255
H        -0.8113907816       12.3773200697        0.9647009723
H        -2.2247515294       12.2234323683        3.6884402760
H        -2.3943457323       13.5137864190        2.5030726432
H        -0.7543374335       14.1612425567        4.3117144142
H         0.0203237983       14.0897678088        2.7356299038
H         1.4312972091       12.9834067357        4.4502499070
H         0.0976235933       11.9104155661        4.9030821069
H         0.7583681219        6.4641134479        6.8932013956
H        -1.3378806664        7.5187006932        6.0616998456
H        -0.8289760845        7.1882140819        4.3208264871
H         2.6526316303        5.9581375276        5.3656719967
H         1.6038835420        6.3262935236        3.8993510030
H         0.0873127457        9.8324791080        5.1113578929
C         9.3371767629        2.2193875901       11.7891285069
C        10.5823700298        1.3544594371       12.0724695487
C        11.3868515691        1.1297941544       10.7809816021
C        10.5184539690        0.4742648897        9.6974975554
C         9.2497312289        1.2971494572        9.4283504567
C         8.4443448944        1.5738774532       10.7130803596
C         7.0117708656        3.7310655934       12.8247425152
C         6.1414628854        4.1574341227       14.0239550723
C         5.0024815747        5.0977765077       13.5954674013
C         5.5416159665        6.3220721747       12.8514728553
C         6.3569287138        5.8874537245       11.6302924219
C         7.5048356059        4.9502284079       12.0267692001
C         7.6876548739        1.1176884144       14.0093797543
C         7.4794179981        1.1900593807       15.5312994009
C         8.2281815473        2.9057902137       17.8763249493
C         7.4831669477        1.9308827737       18.8040686599
C         7.0981762053        2.6208484761       20.1263619422
C         6.2969506519        3.9103490912       19.9002882820
C         7.0168473432        4.8589777610       18.9322226348
C         7.3712277378        4.1593441900       17.6086768242
C        10.0871006386        0.8480284363       16.9072716895
C        11.3295888920        1.5466880184       17.4923870505
C        12.3512812927        0.5317823559       18.0204982696
C        12.7557255115       -0.4617793548       16.9255805606
C        11.5249205163       -1.1636562284       16.3400048428
C        10.4937439018       -0.1513361107       15.8062743898
Rh        9.7585906447        3.6654409060       14.8728418362
P         8.8774067146        2.1280268604       16.3174362523
P         8.4566348936        2.6862597196       13.3562304153
C        11.0703984512        4.7576609576       13.3913461554
C        10.6129375204        5.5775131186       14.4182057744
C        11.1403780002        5.4211153442       15.8093285740
H         9.6935453199        3.1870233336       11.4023862988
H        10.2738234338        0.3776000418       12.4754682460
H        11.2044187736        1.8324442739       12.8440723800
H        11.7678257450        2.0969734073       10.4189380643
H        12.2702394177        0.5115234858       10.9960681969
H        11.0938516875        0.3569889413        8.7670685529
H        10.2390835814       -0.5396933235       10.0196200989
H         8.6038670248        0.7728944470        8.7077826911
H         9.5309202517        2.2549487537        8.9647935288
H         7.5862238995        2.2178891077       10.4763926381
H         8.0358342434        0.6305819146       11.0947720294
H         6.4078462951        3.0892815272       12.1608070283
H         5.7188124199        3.2752766519       14.5248518538
H         6.7835349743        4.6656911314       14.7594840704
H         4.3015034377        4.5564306608       12.9457185141
H         4.4304007515        5.3962960347       14.4869882692
H         4.7204830533        6.9824439618       12.5406194592
H         6.1731959694        6.9156092356       13.5274592480
H         6.7662436660        6.7601752893       11.1009637893
H         5.6969449029        5.3713695056       10.9178433703
H         8.0361295231        4.6205988422       11.1271939321
H         8.2317160660        5.5063377222       12.6383476005
H         6.7468490557        0.9151487782       13.4777430490
H         8.3817777102        0.3049803756       13.7552113246
H         6.5574530333        1.7349523020       15.7756029647
H         7.3893970311        0.1887261080       15.9764629649
H         9.1483284953        3.2386653920       18.3869697670
H         6.5734786157        1.5746951198       18.3012219115
H         8.0921586873        1.0438428609       19.0158247007
H         6.5227359693        1.9165863399       20.7452828379
H         8.0167921414        2.8611006017       20.6842480582
H         5.3049780090        3.6613536558       19.4987002690
H         6.1223543651        4.4154569608       20.8620831749
H         6.3964021323        5.7429454910       18.7303499443
H         7.9418822820        5.2316941570       19.3969520089
H         6.4455565138        3.8683203849       17.0893130979
H         7.9029524884        4.8496572604       16.9359816941
H         9.5807266918        0.2875849546       17.7108314735
H        11.7939897831        2.1561206006       16.6996583268
H        11.0446127404        2.2372385329       18.2944460175
H        13.2294027219        1.0639909827       18.4101242014
H        11.9176304541       -0.0141349270       18.8723919530
H        13.2923173624        0.0701961944       16.1265575324
H        13.4619737821       -1.1977612819       17.3340814489
H        11.8115084604       -1.8509507467       15.5304667561
H        11.0552128031       -1.7849482511       17.1158589126
H         9.6128136220       -0.6899112092       15.4277628163
H        10.9220520446        0.4036234890       14.9568482076
H         9.8902821762        6.3701822004       14.2227634475
H        10.7128052858        4.9191163394       12.3773171564
H        11.9947607255        4.1871290028       13.4840655081
H        10.8675743200        6.2518178150       16.4669196681
H        12.2178111409        5.2219713274       15.8578430670
H        10.6605479195        4.5132480486       16.3646914208
C         7.3046644877        2.9491636791        5.1700864923
C         6.8276579674        2.5745641573        6.4402859947
C         5.4607243529        2.4632967770        6.7175270590
C         4.5023160059        2.7272215931        5.7374694138
C         4.9484311111        3.1109411848        4.4720521355
C         6.3215442522        3.2095482847        4.1935419008
C         5.0407315965        2.0727958201        8.1012945915
C         3.9536108401        3.4550012345        3.3956390738
C         9.3612419452        3.9231311565        3.6379980500
C         8.7480787576        5.1729451363        3.4388176807
C         9.1971038547        6.0753392706        2.4622305240
C        10.2832322765        5.7587748976        1.6475838187
C        10.9232793164        4.5295773474        1.8469074552
C        10.4787402667        3.6397294095        2.8274758985
C         8.5315353963        7.4185134677        2.3444570616
C        12.1259370099        4.2052941817        1.0116347681
C         9.1396505300        1.3290492818        4.4376795400
C         8.9234195601        0.8666581372        3.1268945451
C         8.9947643320       -0.4910665526        2.7931574718
C         9.2850442306       -1.4520356757        3.7720125870
C         9.4926231470       -1.0148805432        5.0875675185
C         9.4194589858        0.3477031211        5.4062998100
C         8.8264440025       -0.8758162336        1.3450243620
C         9.8677683000       -1.9829057948        6.1829579830
C         9.8450255191        3.3808101426        6.1001609171
C        11.1388993635        2.8822540910        6.3433952668
C        11.9519767394        3.3923579834        7.3707529042
C        11.5006161376        4.4211059118        8.1918850402
C        10.2269117675        4.9447124688        7.9495219529
C         9.4229545436        4.4423279517        6.9258529132
C        13.3506227770        2.8696930341        7.5412942592
C         9.7615452263        6.0626366702        8.8251307185
B         8.9139780470        2.9006877171        4.8355633346
H         7.5409769343        2.3612728829        7.2363058377
H         3.4430810795        2.6595576444        5.9597057840
H         6.6282093257        3.4990878843        3.1885876414
H         7.8946557056        5.4545904364        4.0546333397
H        10.6185303829        6.4479772303        0.8799111055
H        11.0097736164        2.6982802391        2.9577090815
H         8.6896399323        1.5833740863        2.3408193799
H         9.3616636716       -2.5045739418        3.5173758147
H         9.5813925052        0.6477952299        6.4411692806
H        11.5327192564        2.0810914016        5.7175552325
H        12.1236851063        4.8079856562        8.9925232908
H         8.4424749233        4.8858556762        6.7649444871
F         9.8778860146        5.7342603500       10.1592505886
F        10.5128544223        7.2013829909        8.6771552616
F         8.4661770573        6.4133073927        8.6090290986
F        14.0908040855        3.1223921967        6.4031961270
F        14.0148602382        3.4257811332        8.6003019663
F        13.4049968009        1.5150114479        7.7243541161
F         9.1900901626       -1.7346445922        7.3561894967
F        11.2124112786       -1.9274273508        6.4764152025
F         9.6063368081       -3.2812501310        5.8769623530
F         8.6368221165       -2.2223613916        1.1760564105
F         9.9265554725       -0.5157118934        0.5905092172
F         7.7626370054       -0.2373668729        0.7423799930
F        12.4223753457        2.8803479842        0.9558148313
F        13.2627189534        4.8142206135        1.4728070529
F        11.9541567834        4.6317638933       -0.2941881662
F         8.8161762221        8.0785070740        1.1818650090
F         8.9059814741        8.2449140314        3.3840475569
F         7.1672456372        7.3377838099        2.4273093152
F         3.9904720024        2.5721923525        2.3475108293
F         4.2187389694        4.6985208045        2.8681077579
F         2.6556600737        3.4688956969        3.8273940256
F         5.4633857722        2.9840685711        9.0477978933
F         3.6889407299        1.9400618993        8.2412171755
F         5.5912790074        0.8642340335        8.4645276113
C         3.6888808101        9.3799994773       14.6980421799
C         4.1647378601        9.7540135137       13.4271313233
C         5.5309111185        9.8691094513       13.1482058762
C         6.4897598985        9.6094541970       14.1286705591
C         6.0443572617        9.2235902317       15.3933258035
C         4.6723967686        9.1211907750       15.6734786718
C         5.9495491955       10.2605935368       11.7639176516
C         7.0366107566        8.8775190496       16.4696693070
C         1.6296846954        8.4142296201       16.2352759496
C         2.2387102850        7.1618727945       16.4316159054
C         1.7971677421        6.2648878021       17.4166172831
C         0.7230455737        6.5919368442       18.2449282234
C         0.0788588435        7.8206194201       18.0422160937
C         0.5170574112        8.7033724607       17.0523083432
C         2.4606019395        4.9177112302       17.5252808923
C        -1.1290700575        8.1380824990       18.8779686427
C         1.8557422947       11.0034053708       15.4255844732
C         2.0737580672       11.4664217587       16.7361396247
C         2.0016443446       12.8239737593       17.0702372976
C         1.7125244083       13.7844763887       16.0905950181
C         1.5031718115       13.3475161452       14.7751448473
C         1.5754784533       11.9844430391       14.4566290138
C         2.1662355389       13.2091548310       18.5193267053
C         1.1263984291       14.3164352163       13.6803705106
C         1.1527258914        8.9403040176       13.7696665166
C        -0.1434782132        9.4320312236       13.5298138010
C        -0.9575189659        8.9155236279       12.5061668913
C        -0.5077129400        7.8887529814       11.6854762152
C         0.7708573760        7.3772471217       11.9205660940
C         1.5786237093        7.8830326763       12.9396215825
C        -2.3445152174        9.4554240868       12.3237806158
C         1.2335820627        6.2667180293       11.0376634296
B         2.0803454949        9.4299858598       15.0323459685
H         3.4505471912        9.9641559970       12.6316034204
H         7.5486964389        9.6803253709       13.9065506591
H         4.3682694055        8.8293229505       16.6785326801
H         3.0836808783        6.8743103465       15.8064446511
H         0.3924515107        5.9058112109       19.0180463463
H        -0.0139249076        9.6448712149       16.9202153399
H         2.3080326517       10.7498028382       17.5223471355
H         1.6390013046       14.8372694348       16.3449798554
H         1.4125694716       11.6837115182       13.4219884646
H        -0.5369499633       10.2354391623       14.1529762034
H        -1.1326934391        7.4974896356       10.8886532247
H         2.5647367269        7.4477938801       13.0906514606
F         1.1130111520        6.6001259270        9.7041635775
F         0.4795752476        5.1309744276       11.1852009524
F         2.5280823757        5.9189825613       11.2541643554
F        -3.0997947450        9.2139186681       13.4596059682
F        -3.0213087494        8.9110100783       11.2666520695
F        -2.3481443478       10.8130253998       12.1403133362
F         1.8000065530       14.0684059530       12.5072524287
F        -0.2217930493       14.2611445604       13.3879741415
F         1.3840541572       15.6151856849       13.9868484982
F         2.3534534285       14.5557931329       18.6880140109
F         1.0643601451       12.8493716581       19.2728851192
F         3.2277434231       12.5697246093       19.1230503243
F        -1.4327676058        9.4585091402       18.9730339799
F        -2.2661963271        7.5276896316       18.3935617954
F        -0.9638083506        7.6958184328       20.1677684621
F         2.1741046063        4.2547405832       18.6833333363
F         2.0834211107        4.0913541306       16.4811707397
F         3.8232254253        4.9961353924       17.4370901808
F         7.0002459520        9.7614659976       17.5163670561
F         6.7715216745        7.6353283532       16.9958978633
F         8.3364433122        8.8640007585       16.0363883787
F         5.5267133370        9.3494528987       10.8163524939
F         7.3011862794       10.3936760582       11.6228123738
F         5.3982745645       11.4680975724       11.3998370750
310
SCF Energy = -2189.7128929364 (a.u.)
Lowest Frequencies = 30.842344  31.237686  31.881655 (cm^-1)
IIrot (eta3) / [1-(propene)][BArF4]
C         1.6862173979       10.0783870154        8.1712596576
C         0.4224236920       10.9220056246        7.9039515514
C        -0.3424097191       11.1919615802        9.2106815738
C         0.5522437372       11.8860321986       10.2461084693
C         1.8251601276       11.0694472493       10.5084829366
C         2.5951285423       10.7596080565        9.2112653731
C         4.0304005346        8.5926870763        7.1176070248
C         4.7992119528        8.0901165030        5.8766411086
C         5.9515779615        7.1449300569        6.2535151582
C         5.4511455186        5.9730923058        7.1010469963
C         4.7510602395        6.4853419080        8.3623372279
C         3.5894012126        7.4267265915        8.0201544821
C         3.2734508115       11.1673533150        5.8894891636
C         3.4629773211       11.0822714174        4.3609462588
C         2.7368156052        9.4100594016        1.9854562995
C         3.4891322756       10.3778797640        1.0569834557
C         3.9000536712        9.6743851756       -0.2505140381
C         4.7028561732        8.3909393366        0.0041755301
C         3.9725269082        7.4491938574        0.9712478805
C         3.5959750185        8.1639591469        2.2811608983
C         0.9069415587       11.5134897910        2.9484788113
C        -0.3063910302       10.8833713011        2.2418148830
C        -1.2961005044       11.9447042172        1.7459026277
C        -1.7495479537       12.8498521914        2.8958624943
C        -0.5414586947       13.5086923362        3.5697881181
C         0.4613171287       12.4585216787        4.0828375127
Rh        1.2213131433        8.6369541316        4.9998492918
P         2.0581892881       10.1808947711        3.5319680581
P         2.5555389175        9.6012408461        6.6024305853
C        -0.0765429312        7.3824260645        3.7004167890
C        -0.5127680817        7.2830318345        5.0446185770
C         0.3774493854        6.8772142905        6.0690153982
H         1.3519132125        9.1063964502        8.5708023992
H         0.7009787655       11.8837138383        7.4462711062
H        -0.2334800698       10.4045926692        7.1870510379
H        -0.7086882128       10.2373230454        9.6170888133
H        -1.2332929384       11.7999608669        8.9974660802
H        -0.0006406567       12.0366378581       11.1851870370
H         0.8239865650       12.8879152441        9.8825135004
H         2.4898386754       11.6123493975       11.1969915234
H         1.5534944721       10.1248551618       11.0041094551
H         3.4662834365       10.1310565263        9.4400332139
H         2.9846187109       11.6953951075        8.7925987440
H         4.6905323069        9.2626375156        7.6927809562
H         5.1926286366        8.9384203670        5.2994848770
H         4.1009081215        7.5538442022        5.2122565689
H         6.7143046135        7.7027523284        6.8137664955
H         6.4385250043        6.7887357905        5.3331421515
H         6.2810172440        5.3073030846        7.3737787776
H         4.7527347132        5.3634216755        6.5103971885
H         4.3703745630        5.6472433096        8.9636409151
H         5.4790012059        7.0173724481        8.9919541834
H         3.1471168288        7.8150772137        8.9452473746
H         2.7966380307        6.8565160584        7.5137737188
H         4.2208540155       11.4098506903        6.3914919621
H         2.5673544739       11.9708392133        6.1411565212
H         4.3790060232       10.5274846892        4.1154119469
H         3.5742468394       12.0845037083        3.9215194634
H         1.8253608967        9.0619178653        1.4707895982
H         4.3874268940       10.7513543441        1.5682458833
H         2.8735888483       11.2553380216        0.8242195910
H         4.4837277292       10.3737030479       -0.8674282508
H         2.9923588814        9.4243706366       -0.8215503014
H         5.6867409038        8.6488620990        0.4195893582
H         4.8962431866        7.8736073561       -0.9475498546
H         4.5940449979        6.5707101348        1.1912508107
H         3.0549944971        7.0681189790        0.4986990916
H         4.5127590290        8.4594825245        2.8133233096
H         3.0554060185        7.4688135159        2.9434669214
H         1.4781922193       12.1082063709        2.2163148944
H        -0.8158330842       10.2113596911        2.9491855665
H         0.0231485695       10.2602375129        1.4029851860
H        -2.1555432978       11.4496059548        1.2751357818
H        -0.8209101753       12.5556195337        0.9634297929
H        -2.3105349388       12.2582996693        3.6341253845
H        -2.4454521364       13.6114796387        2.5191482779
H        -0.8530624747       14.1504799124        4.4066282210
H        -0.0396149308       14.1690169138        2.8490088835
H         1.3304687832       12.9643487096        4.5278908544
H        -0.0108361899       11.8702955545        4.8865846474
H        -1.4569046897        7.7541668541        5.3248117224
H        -0.7426265339        7.8002796639        2.9497765698
H         0.6622036766        6.6734356317        3.3154692116
H         0.0587048180        6.9154764740        7.1083620037
H         1.1469771624        6.1303426789        5.8474164700
H         0.2663145396        9.7674085010        5.3172299944
C         9.2901926808        2.2168691774       11.7752372592
C        10.5285203300        1.3420304184       12.0565753326
C        11.3266636382        1.1088078534       10.7628540369
C        10.4498566809        0.4568661833        9.6841931665
C         9.1863215642        1.2883264063        9.4173176724
C         8.3879953384        1.5770756173       10.7039304646
C         6.9747763032        3.7403697139       12.8138084939
C         6.1239109436        4.1893026615       14.0191364680
C         4.9869190205        5.1338331654       13.5953296254
C         5.5263376404        6.3427213444       12.8270934805
C         6.3192305515        5.8847353647       11.6000263613
C         7.4659342267        4.9445840358       11.9917714253
C         7.6530287485        1.1329498903       14.0136063109
C         7.4542697624        1.2181618361       15.5359747485
C         8.2243864230        2.9320496327       17.8705362854
C         7.4630915035        1.9605221214       18.7895828121
C         7.0849086961        2.6458403464       20.1165143574
C         6.2978015439        3.9453319868       19.8961198985
C         7.0320333806        4.8922626607       18.9371953189
C         7.3838528304        4.1983878112       17.6102911163
C        10.0887358579        0.8921475721       16.8853884138
C        11.3665658967        1.6069397331       17.3678390677
C        12.3969650312        0.6081402388       17.9097023367
C        12.7389377719       -0.4529790288       16.8571904648
C        11.4748934302       -1.1637321537       16.3584391495
C        10.4334388493       -0.1650142218       15.8181881414
Rh        9.7263758265        3.6907665098       14.8451959665
P         8.8602135539        2.1583368468       16.3041423495
P         8.4199472430        2.6960595814       13.3438700138
C        11.0470430837        4.7522142293       13.3529432029
C        10.5859336784        5.5939377878       14.3603289523
C        11.1077920056        5.4674911314       15.7570284145
H         9.6535384700        3.1803654815       11.3847962232
H        10.2126502642        0.3680526710       12.4610784783
H        11.1570308109        1.8156441719       12.8256640709
H        11.7127724088        2.0724114139       10.3967964524
H        12.2061142888        0.4846778213       10.9762468984
H        11.0210757935        0.3327796320        8.7519760481
H        10.1642592911       -0.5542524802       10.0096384485
H         8.5332328770        0.7660228336        8.7019608645
H         9.4732769437        2.2420840737        8.9486782251
H         7.5359367100        2.2288955766       10.4678236256
H         7.9709660353        0.6394956577       11.0896060337
H         6.3580346222        3.0931076296       12.1672238230
H         5.7012773857        3.3167913081       14.5366879078
H         6.7804600835        4.7010186283       14.7396050367
H         4.2708253220        4.5906631394       12.9639354125
H         4.4320629930        5.4501024503       14.4916285863
H         4.7072786996        7.0068712640       12.5193411100
H         6.1734030886        6.9388796665       13.4857694902
H         6.7267159301        6.7470938617       11.0527750421
H         5.6444907839        5.3641795459       10.9050434346
H         7.9817260456        4.5991281634       11.0886775815
H         8.2060468535        5.5033325931       12.5846605642
H         6.7084715049        0.9278889192       13.4895557503
H         8.3441678522        0.3168715984       13.7621222554
H         6.5371828518        1.7709342682       15.7811434697
H         7.3601624492        0.2212948347       15.9900807375
H         9.1492064156        3.2466814772       18.3846718460
H         6.5484419997        1.6239034582       18.2823738489
H         8.0567071119        1.0613121210       18.9950443050
H         6.5009886580        1.9437762807       20.7300499787
H         8.0052955516        2.8725624419       20.6771026915
H         5.3053638184        3.7085894648       19.4878422493
H         6.1236183856        4.4470387371       20.8598189793
H         6.4230837461        5.7849606489       18.7395504277
H         7.9596121536        5.2506060287       19.4078818854
H         6.4570969745        3.9223497670       17.0846584449
H         7.9255661005        4.8876301271       16.9445700152
H         9.6225799742        0.3767241119       17.7417365488
H        11.7992897782        2.1569183473       16.5157628834
H        11.1302989083        2.3525181966       18.1364310981
H        13.2991438142        1.1470612103       18.2294219663
H        11.9943593523        0.1195184654       18.8101688017
H        13.2528727529        0.0238884232       16.0098809659
H        13.4476925554       -1.1794675775       17.2787701151
H        11.7197433201       -1.8939358508       15.5733149432
H        11.0295012417       -1.7397641194       17.1823180401
H         9.5307327682       -0.7095908253       15.5053090527
H        10.8315295351        0.3408199225       14.9246420520
H         9.8653159219        6.3831527753       14.1449528325
H        10.6953311034        4.8938670390       12.3340123871
H        11.9702642508        4.1826851672       13.4614539602
H        10.8307480833        6.3115563042       16.3959333289
H        12.1856855057        5.2722960600       15.8141034477
H        10.6279537853        4.5701154987       16.3271071152
C         7.3010915483        2.9482210454        5.1694110366
C         6.8242876708        2.5736533653        6.4393832685
C         5.4578663169        2.4612898325        6.7166759391
C         4.4992866900        2.7232451421        5.7366993367
C         4.9458279206        3.1085615813        4.4720861162
C         6.3183721199        3.2083953832        4.1929831475
C         5.0399478564        2.0727486316        8.1011721395
C         3.9536219556        3.4547858631        3.3956624481
C         9.3567061914        3.9217319665        3.6375079997
C         8.7444537902        5.1720009593        3.4385183792
C         9.1892478328        6.0704326879        2.4562759535
C        10.2687834109        5.7487106393        1.6351264069
C        10.9147817169        4.5238829165        1.8403446500
C        10.4733418932        3.6381422938        2.8260282455
C         8.5285191091        7.4156247989        2.3417945320
C        12.1219956848        4.2026904906        1.0098392111
C         9.1320932059        1.3271763819        4.4378336986
C         8.9145765269        0.8646990038        3.1273184877
C         8.9873065794       -0.4927777207        2.7933519373
C         9.2761313384       -1.4542404918        3.7721983448
C         9.4852559650       -1.0171392942        5.0876179436
C         9.4118894128        0.3455970178        5.4062499712
C         8.8233465738       -0.8765662679        1.3445388506
C         9.8626402006       -1.9837819651        6.1832043615
C         9.8398143587        3.3778887740        6.1018218706
C        11.1333086899        2.8781846234        6.3456988627
C        11.9479724799        3.3888568485        7.3720033139
C        11.4962797340        4.4177109222        8.1926762441
C        10.2227118614        4.9416483631        7.9508108726
C         9.4174558752        4.4392150769        6.9279386565
C        13.3482494327        2.8694812742        7.5431078223
C         9.7596421530        6.0617019238        8.8252350282
B         8.9095455189        2.8993681477        4.8358008402
H         7.5372556077        2.3612027183        7.2356284131
H         3.4401664010        2.6552740277        5.9593919316
H         6.6241644305        3.4984626553        3.1879556990
H         7.8949718021        5.4567488301        4.0585446688
H        10.5985829283        6.4332796126        0.8610060767
H        11.0059874929        2.6984072294        2.9604586677
H         8.6795931637        1.5809949598        2.3410639583
H         9.3493402941       -2.5069946895        3.5174241192
H         9.5732030519        0.6456924326        6.4411735578
H        11.5246507526        2.0757466969        5.7200062200
H        12.1207953374        4.8059320995        8.9915283409
H         8.4359345677        4.8817995795        6.7689705152
F         9.8773732347        5.7341591525       10.1592624533
F        10.5122622470        7.2003588366        8.6767824104
F         8.4648685117        6.4135054314        8.6087403156
F        14.0901212855        3.1227211169        6.4030439683
F        14.0139597147        3.4254951076        8.5998512553
F        13.4049105755        1.5147763329        7.7241802269
F         9.1898143040       -1.7350966770        7.3563216422
F        11.2114379659       -1.9275181471        6.4756755732
F         9.6054493595       -3.2834916304        5.8771789221
F         8.6362172988       -2.2231685688        1.1755807749
F         9.9253175828       -0.5158418372        0.5910639722
F         7.7619993431       -0.2368863738        0.7414310241
F        12.4218297090        2.8785538222        0.9549766306
F        13.2599097226        4.8116091067        1.4723013924
F        11.9538737195        4.6315533242       -0.2948629748
F         8.8159308983        8.0782790067        1.1817686068
F         8.9060113859        8.2436214340        3.3833507070
F         7.1649201344        7.3381619114        2.4270971574
F         3.9897792897        2.5723595305        2.3476867854
F         4.2185750170        4.6983952646        2.8682892749
F         2.6541568296        3.4700692529        3.8276744268
F         5.4630315394        2.9842703939        9.0473309894
F         3.6883143878        1.9399885343        8.2414128588
F         5.5916461234        0.8654251990        8.4644360549
C         3.6901877084        9.3831051738       14.6979404738
C         4.1657432517        9.7581834160       13.4273173898
C         5.5318763807        9.8709473499       13.1481406703
C         6.4909948046        9.6098259916       14.1278551195
C         6.0455536747        9.2244635921       15.3926271915
C         4.6736254020        9.1232676256       15.6730037930
C         5.9497766938       10.2606754340       11.7634621492
C         7.0370390156        8.8778696197       16.4691377684
C         1.6323898920        8.4183408031       16.2370815140
C         2.2397725407        7.1648302380       16.4322718051
C         1.7961123218        6.2660224970       17.4148282401
C         0.7199597182        6.5926137900       18.2408823906
C         0.0792026656        7.8236924905       18.0414471617
C         0.5209273984        8.7088437175       17.0551959348
C         2.4598511020        4.9183437047       17.5243569387
C        -1.1292499311        8.1402231920       18.8765232653
C         1.8591079133       11.0064985935       15.4258221483
C         2.0785406660       11.4698439639       16.7358231403
C         2.0032120492       12.8270202090       17.0701083569
C         1.7129320442       13.7875537906       16.0908993992
C         1.5045270223       13.3501212967       14.7755548301
C         1.5775270890       11.9872144119       14.4572234023
C         2.1668765467       13.2106325269       18.5191950175
C         1.1268990185       14.3177114193       13.6804720778
C         1.1533785779        8.9432424901       13.7705938397
C        -0.1433259676        9.4345047262       13.5318590733
C        -0.9564427229        8.9184173748       12.5070156416
C        -0.5056677614        7.8932723804       11.6849242396
C         0.7725806927        7.3810175583       11.9194545259
C         1.5798024604        7.8869256139       12.9392154461
C        -2.3439420659        9.4564109284       12.3242602420
C         1.2336426256        6.2686461283       11.0364713248
B         2.0822879969        9.4332298507       15.0329024427
H         3.4519478713        9.9711001475       12.6321823669
H         7.5498213070        9.6796540768       13.9048787065
H         4.3696125861        8.8321080716       16.6782340272
H         3.0852843811        6.8780406544       15.8075176767
H         0.3864517281        5.9054676004       19.0117789845
H        -0.0066718094        9.6527583755       16.9262521373
H         2.3171567958       10.7545661203       17.5219136463
H         1.6389873782       14.8403610987       16.3451248473
H         1.4140487045       11.6863574394       13.4229413626
H        -0.5374355959       10.2370131924       14.1558884454
H        -1.1310679845        7.5027913436       10.8880246940
H         2.5660284173        7.4521027462       13.0902466663
F         1.1127567341        6.6002055521        9.7046910994
F         0.4794616278        5.1319864713       11.1854621569
F         2.5278460523        5.9192309645       11.2543135226
F        -3.0996949873        9.2140666674       13.4598327721
F        -3.0209231448        8.9112788162       11.2671806479
F        -2.3483421803       10.8135885536       12.1404191841
F         1.8002202377       14.0689423971       12.5074314554
F        -0.2215672734       14.2612325514       13.3880645470
F         1.3841290533       15.6164016279       13.9867588694
F         2.3536406613       14.5571103154       18.6883275036
F         1.0645685843       12.8497229552       19.2725132822
F         3.2279530448       12.5706693840       19.1224647661
F        -1.4331147902        9.4613193913       18.9723311548
F        -2.2658452186        7.5282076782       18.3935324023
F        -0.9636321804        7.6968306252       20.1668480633
F         2.1739371555        4.2550732553       18.6829541846
F         2.0832751295        4.0914191756       16.4811196622
F         3.8228221475        4.9963472508       17.4370504781
F         7.0003983420        9.7614457627       17.5161992709
F         6.7715112723        7.6355956874       16.9957283841
F         8.3368407026        8.8639074093       16.0363578360
F         5.5268886938        9.3494964893       10.8166093066
F         7.3015446583       10.3937064045       11.6225786049
F         5.3983710283       11.4680229788       11.3997859443
310
SCF Energy = -2189.6577279373 (a.u.)
Lowest Frequencies = i128.058810  27.738026  31.404122 (cm^-1)
TS(II-IIflip) / [1-(propene)][BArF4]
C         1.7703487870       10.1064733667        8.1841819143
C         0.4656357712       10.8750716978        7.8884691952
C        -0.3490177447       11.0854267583        9.1754770107
C         0.4772880511       11.8157514780       10.2423318011
C         1.7880323563       11.0698937598       10.5275597315
C         2.6098041526       10.8352975183        9.2473927534
C         4.2013435527        8.6837864830        7.1524865365
C         4.8560705140        8.1018633237        5.8760348917
C         5.9743274161        7.0950998430        6.1848786399
C         5.4704899472        5.9805192447        7.1030013267
C         4.9257573923        6.5720587688        8.4049113057
C         3.7950062494        7.5745055433        8.1431966930
C         3.3385475278       11.2403213084        5.8674436264
C         3.5087152293       11.1080713849        4.3367075989
C         2.7782366029        9.3762630941        1.9931623229
C         3.5461668796       10.3410401846        1.0752449229
C         3.9190690654        9.6548176453       -0.2524853838
C         4.6981626076        8.3509434087       -0.0297701573
C         3.9554812048        7.4054186577        0.9242658949
C         3.6006401230        8.0974765336        2.2526083344
C         0.8811571290       11.3749939294        2.9784343157
C        -0.3713222650       10.6512035840        2.4491043193
C        -1.3978387954       11.6453283210        1.8885744190
C        -1.7814093479       12.6934797524        2.9397291538
C        -0.5411564693       13.4104405215        3.4872247748
C         0.4917013295       12.4138388417        4.0479720884
Rh        1.4676801642        8.5699612813        5.1573006657
P         2.1235536581       10.1254726507        3.5638648936
P         2.7100371381        9.6729398202        6.6506861156
C         0.6821081587        7.0302131596        6.3659505442
C         0.0281763691        6.8156287366        5.0838484623
C        -0.8177382540        5.9083730598        4.5952740055
H         1.4867347813        9.1131631047        8.5706690328
H         0.6969222208       11.8538706841        7.4411260883
H        -0.1429942262       10.3238546197        7.1542862985
H        -0.6718603179       10.1061101479        9.5600141065
H        -1.2672649755       11.6437919734        8.9420165044
H        -0.1073088002       11.9204719688       11.1679064933
H         0.7002455925       12.8359657671        9.8968278438
H         2.3995876914       11.6357155448       11.2456227427
H         1.5581269465       10.1003962297       10.9955447180
H         3.5192637506       10.2674464541        9.4844250451
H         2.9370199290       11.8014859560        8.8481380604
H         4.9113192720        9.3712924727        7.6408452633
H         5.2468435702        8.9113305612        5.2441967390
H         4.0811834610        7.5857964664        5.2794981490
H         6.8150741806        7.6138390681        6.6649454077
H         6.3552631517        6.6871477091        5.2365802844
H         6.2725807637        5.2626086686        7.3203699766
H         4.6813089033        5.4093245310        6.5927054877
H         4.5457221839        5.7756816171        9.0604986787
H         5.7420567200        7.0662607558        8.9502853011
H         3.4648449311        8.0165416066        9.0922756631
H         2.9305528283        7.0327716194        7.7384796369
H         4.2782868910       11.5491548386        6.3470531719
H         2.5929795249       12.0135886191        6.1009699197
H         4.4400184970       10.5762325779        4.0972230458
H         3.5836245730       12.1001861603        3.8683782149
H         1.8528289346        9.0657608424        1.4773589433
H         4.4631451520       10.6719566051        1.5817928057
H         2.9570036132       11.2441526754        0.8723284337
H         4.5071586930       10.3519956249       -0.8675679302
H         2.9972658080        9.4327111045       -0.8126570880
H         5.6906608349        8.5817584179        0.3818998723
H         4.8731713990        7.8479091202       -0.9926031472
H         4.5580777783        6.5083411047        1.1202669046
H         3.0268596300        7.0545090359        0.4503065875
H         4.5252482481        8.3513095880        2.7928818337
H         3.0364960723        7.4004721096        2.8945074246
H         1.3578599062       11.9121643092        2.1417054194
H        -0.8250290397       10.0758046344        3.2721604880
H        -0.0991712640        9.9233921177        1.6771226394
H        -2.2850241918       11.0999061608        1.5386876953
H        -0.9761574448       12.1462303416        1.0035309336
H        -2.3166909986       12.2028869310        3.7653685413
H        -2.4836833145       13.4181271993        2.5044852622
H        -0.8189541302       14.1289453275        4.2726119068
H        -0.0739409735       14.0011930164        2.6859080871
H         1.3771942150       12.9626146972        4.3997151853
H         0.0655396407       11.8956527935        4.9220667867
H         0.2424707038        7.5966167334        4.2081153012
H         1.3926235225        6.2506051215        6.6622354696
H         0.0428545848        7.3326859725        7.1995199970
H        -1.1694589692        5.9617372555        3.5746532596
H        -1.1764386082        5.0961500069        5.2192712966
H         0.3874587772        9.5636113158        5.5327206977
C         9.2961482379        2.2192591467       11.7672012821
C        10.5446409057        1.3596734565       12.0510012625
C        11.3482064955        1.1348841684       10.7591741414
C        10.4816512056        0.4711390695        9.6794718061
C         9.2095912316        1.2882668624        9.4089291218
C         8.4047854641        1.5687806020       10.6932145942
C         6.9699036919        3.7271806951       12.8031239066
C         6.0941321399        4.1437928745       14.0018904909
C         4.9562197709        5.0867498255       13.5770828950
C         5.4988795871        6.3180148271       12.8483225399
C         6.3173318388        5.8919981833       11.6269749027
C         7.4646852379        4.9524600020       12.0156855301
C         7.6496563570        1.1156264778       13.9898417331
C         7.4427554961        1.1893661150       15.5119707412
C         8.1843993010        2.9130115141       17.8529094935
C         7.4440073830        1.9383249245       18.7846084125
C         7.0536252351        2.6315348032       20.1040288316
C         6.2492709290        3.9186843462       19.8732301308
C         6.9631550045        4.8649794050       18.8986069356
C         7.3199312749        4.1598534760       17.5790193308
C        10.0530925065        0.8598552848       16.8872530468
C        11.2923151837        1.5638407045       17.4737019671
C        12.3236300657        0.5542058530       17.9951799870
C        12.7311983873       -0.4324987933       16.8949667696
C        11.5031051539       -1.1412328174       16.3118004904
C        10.4638903249       -0.1345995192       15.7834139814
Rh        9.7122155637        3.6733061869       14.8489686352
P         8.8375233049        2.1340712174       16.2964996133
P         8.4155100043        2.6847731051       13.3346606762
C        11.0220084347        4.7663137811       13.3670459820
C        10.5524789937        5.5900788435       14.3853042986
C        11.0754572321        5.4510196783       15.7801954398
H         9.6482756366        3.1877433746       11.3787260441
H        10.2402854734        0.3826112036       12.4566922194
H        11.1658575987        1.8420120097       12.8205057607
H        11.7230008034        2.1029826277       10.3930714022
H        12.2351799488        0.5223433633       10.9748908341
H        11.0565805169        0.3522687126        8.7488719418
H        10.2065947996       -0.5426357410       10.0059275311
H         8.5641785056        0.7587067740        8.6918848867
H         9.4871657376        2.2447899204        8.9406938825
H         7.5459271737        2.2107212209       10.4543626954
H         7.9975504948        0.6264615124       11.0779272113
H         6.3698502148        3.0884920894       12.1326909279
H         5.6705265238        3.2573503442       14.4940768214
H         6.7327328356        4.6473140434       14.7434341935
H         4.2599554817        4.5517459370       12.9172733623
H         4.3780156778        5.3746974268       14.4680358128
H         4.6795629061        6.9806629890       12.5378363512
H         6.1271409320        6.9061383987       13.5319766874
H         6.7248679142        6.7679687017       11.1023221448
H         5.6580898117        5.3787232401       10.9124400045
H         7.9963615237        4.6305254511       11.1131491669
H         8.1911929762        5.5030757247       12.6322218761
H         6.7083821576        0.9117018939       13.4594839114
H         8.3441223554        0.3033114726       13.7355273551
H         6.5188853145        1.7310728177       15.7560565679
H         7.3564261654        0.1882991523       15.9583941065
H         9.1026077213        3.2537217617       18.3618931865
H         6.5371106465        1.5757123053       18.2817011934
H         8.0569274687        1.0549499509       19.0008713266
H         6.4781203391        1.9274204357       20.7231086077
H         7.9703946254        2.8747097429       20.6633037826
H         5.2573621578        3.6654188338       19.4747028937
H         6.0746657518        4.4285527552       20.8325190674
H         6.3368573266        5.7433719302       18.6919776008
H         7.8864062917        5.2469271279       19.3593185871
H         6.3952936634        3.8602172247       17.0627541520
H         7.8464316465        4.8495237102       16.9015764087
H         9.5488502034        0.2956466208       17.6895010352
H        11.7506953380        2.1804663301       16.6829776284
H        11.0032337737        2.2490446545       18.2790233808
H        13.1995678651        1.0915637708       18.3832863268
H        11.8971981847        0.0024911384       18.8471745747
H        13.2601291401        0.1067283757       16.0956765809
H        13.4450930525       -1.1648640167       17.2971172409
H        11.7916768966       -1.8246589902       15.4997398133
H        11.0399216731       -1.7671746141       17.0877882227
H         9.5854006746       -0.6779094597       15.4058768748
H        10.8862997254        0.4251063258       14.9341314703
H         9.8241073692        6.3749845541       14.1801715535
H        10.6680533989        4.9168714187       12.3501020408
H        11.9509997524        4.2049513765       13.4682216050
H        10.7894697349        6.2839249129       16.4296051509
H        12.1553082357        5.2662818517       15.8351337678
H        10.6046192170        4.5414146027       16.3392093081
C         7.2980239669        2.9421424424        5.1669291406
C         6.8224041390        2.5673736958        6.4369278588
C         5.4561083860        2.4603014303        6.7157306064
C         4.4975360591        2.7248433798        5.7364475217
C         4.9435523894        3.1085754278        4.4713645422
C         6.3158271032        3.2054554035        4.1913180559
C         5.0393303700        2.0736614252        8.1004934210
C         3.9502500811        3.4547770602        3.3949836527
C         9.3446857139        3.9013567890        3.6195650894
C         8.7470951778        5.1610894186        3.4294552676
C         9.1798257455        6.0535577965        2.4351978468
C        10.2400092310        5.7116717083        1.5931872423
C        10.8850087180        4.4823194264        1.7996509944
C        10.4431453949        3.6008927991        2.7889891616
C         8.5298196078        7.4127664018        2.3388835125
C        12.1200932896        4.1755381528        0.9988117038
C         9.1255209899        1.3188606934        4.4379452048
C         8.9066556294        0.8567399704        3.1280861206
C         8.9858741058       -0.4992413302        2.7929192760
C         9.2793529617       -1.4605284537        3.7704388634
C         9.4844339876       -1.0232354246        5.0863454163
C         9.4071879334        0.3383881383        5.4058450740
C         8.8236509142       -0.8787378825        1.3433510513
C         9.8644235672       -1.9868683244        6.1825213367
C         9.8314630572        3.3615584361        6.1085116956
C        11.1223082068        2.8558438493        6.3600809356
C        11.9439005605        3.3798843252        7.3754135853
C        11.4987382759        4.4221253493        8.1826484296
C        10.2218187534        4.9405366339        7.9463890140
C         9.4123769071        4.4284388630        6.9307804108
C        13.3486540535        2.8673101778        7.5421977169
C         9.7606402115        6.0634680236        8.8225002206
B         8.9048952975        2.8894897689        4.8335245753
H         7.5358707183        2.3511410210        7.2317635150
H         3.4383278765        2.6578463915        5.9585991889
H         6.6215417810        3.4951652406        3.1861194383
H         7.9210533968        5.4612851492        4.0734165758
H        10.5752768065        6.3969572957        0.8212071985
H        10.9762557910        2.6612835351        2.9250122025
H         8.6665519877        1.5716505093        2.3422232922
H         9.3617491227       -2.5122562014        3.5142369611
H         9.5680100395        0.6377778525        6.4409548531
H        11.5132932067        2.0494216276        5.7389403517
H        12.1316759589        4.8260997612        8.9669276629
H         8.4323921904        4.8733547766        6.7689978533
F         9.8774534555        5.7337762985       10.1575867741
F        10.5120381071        7.2000445523        8.6764991990
F         8.4648551460        6.4133064827        8.6082688115
F        14.0890232357        3.1226746322        6.4034882041
F        14.0134496653        3.4254280185        8.5991884270
F        13.4054304023        1.5131007555        7.7243147570
F         9.1899531654       -1.7354208051        7.3561424941
F        11.2113309704       -1.9275476189        6.4757977560
F         9.6057287965       -3.2853766641        5.8774851223
F         8.6364829214       -2.2247437501        1.1746925839
F         9.9256643001       -0.5161317361        0.5912777678
F         7.7624233430       -0.2374794327        0.7415458752
F        12.4269734446        2.8419352072        0.9528312977
F        13.2485693991        4.8035173089        1.4719090318
F        11.9567004221        4.6260452961       -0.2982517728
F         8.8160709738        8.0780124298        1.1806708098
F         8.9068033524        8.2387159649        3.3805360797
F         7.1648566267        7.3375610515        2.4266316218
F         3.9897892409        2.5720148986        2.3473704792
F         4.2185736280        4.6981566358        2.8683466851
F         2.6532454607        3.4690408967        3.8271945449
F         5.4629917349        2.9843813332        9.0471591884
F         3.6881520938        1.9398394876        8.2415465820
F         5.5922171484        0.8661012147        8.4641454074
C         3.6846923765        9.3789302576       14.6953247098
C         4.1609680020        9.7536203436       13.4246081527
C         5.5277032043        9.8676478329       13.1469520818
C         6.4859340145        9.6070367731       14.1276182477
C         6.0407048352        9.2217413578       15.3925416935
C         4.6680351997        9.1191655869       15.6712314158
C         5.9486066751       10.2599876004       11.7638714830
C         7.0346506968        8.8772571812       16.4690751195
C         1.6242143786        8.4112657130       16.2306140009
C         2.2327436953        7.1585838408       16.4261063262
C         1.7913943262        6.2616562016       17.4110692466
C         0.7160436326        6.5878459357       18.2379886498
C         0.0744430325        7.8180641401       18.0376959573
C         0.5125536705        8.7012248060       17.0483962413
C         2.4583817288        4.9167180491       17.5237109504
C        -1.1301645652        8.1374468311       18.8764789102
C         1.8485398471       11.0010156756       15.4247568370
C         2.0695507060       11.4641015032       16.7350183924
C         1.9972890369       12.8217231872       17.0696991628
C         1.7078549498       13.7820637148       16.0899231325
C         1.4973306130       13.3452109527       14.7747881085
C         1.5648060688       11.9818385058       14.4567774112
C         2.1641174289       13.2077748294       18.5189582710
C         1.1241531497       14.3154772755       13.6804965093
C         1.1484786420        8.9384604121       13.7672998188
C        -0.1483889780        9.4279950732       13.5286881159
C        -0.9605643377        8.9127287855       12.5034940793
C        -0.5100612595        7.8880470810       11.6805985432
C         0.7688144606        7.3776295151       11.9159074729
C         1.5752570035        7.8829270608       12.9358207604
C        -2.3460311095        9.4541144791       12.3228354976
C         1.2333383771        6.2675084080       11.0334968219
B         2.0753853837        9.4281477069       15.0295633213
H         3.4472167074        9.9652747389       12.6288958966
H         7.5447399069        9.6777128025       13.9050098942
H         4.3621750428        8.8268665465       16.6755992882
H         3.0774163729        6.8710763751       15.8005019681
H         0.3847893004        5.9015630684       19.0106639444
H        -0.0179934956        9.6432083520       16.9173746210
H         2.3067680207       10.7475836276       17.5205148906
H         1.6342835757       14.8349835044       16.3435969863
H         1.3959301671       11.6802651451       13.4235730493
H        -0.5444806941       10.2289500610       14.1531586047
H        -1.1348027720        7.4963672513       10.8836705907
H         2.5611162207        7.4474913715       13.0866315876
F         1.1140937429        6.6002044513        9.7029140279
F         0.4793444238        5.1308833101       11.1848256858
F         2.5276950662        5.9190954164       11.2539301200
F        -3.1002740399        9.2137763355       13.4592935007
F        -3.0225822258        8.9107791602       11.2654863978
F        -2.3485457783       10.8124743088       12.1402239035
F         1.7996961048       14.0683937133       12.5074236679
F        -0.2229544946       14.2612237415       13.3873525077
F         1.3834932895       15.6138340522       13.9868228734
F         2.3527465783       14.5549002700       18.6874288859
F         1.0633838174       12.8491715655       19.2730160721
F         3.2270473334       12.5699401601       19.1220930707
F        -1.4328022420        9.4578544194       18.9728411536
F        -2.2676068112        7.5272500028       18.3934656535
F        -0.9642388290        7.6944958640       20.1660923654
F         2.1737485683        4.2547856457       18.6828079343
F         2.0832365665        4.0902120445       16.4803643341
F         3.8216051329        4.9963569844       17.4367371107
F         6.9998812501        9.7613841062       17.5157832174
F         6.7712661864        7.6352418600       16.9958712377
F         8.3352728022        8.8639763451       16.0360017975
F         5.5266969649        9.3492068131       10.8159107238
F         7.3006148639       10.3935112972       11.6229374059
F         5.3980439122       11.4678127944       11.3998199314
310
SCF Energy = -2189.6973798538 (a.u.)
Lowest Frequencies = i462.619926  19.201374  27.996503 (cm^-1)
TS(IIrot-Irot) / [1-(propene)][BArF4]
C         1.7165082750       10.1413808627        8.1896677065
C         0.4806526948       11.0241439261        7.9172746128
C        -0.2985827778       11.2756859390        9.2182770991
C         0.5961291825       11.9330914444       10.2770921199
C         1.8567802095       11.0950768903       10.5349280509
C         2.6347868761       10.7854981018        9.2409167535
C         4.0078057017        8.5897660923        7.1185255382
C         4.8074879006        8.1090471046        5.8898504734
C         5.9515561105        7.1612640566        6.2854098483
C         5.4321527288        5.9756450546        7.1025013883
C         4.6923124181        6.4666311027        8.3498596359
C         3.5380449133        7.4093131344        7.9857956759
C         3.3099519661       11.1774168630        5.8963092632
C         3.4791209656       11.0703246545        4.3732278662
C         2.7418209922        9.3833851615        2.0386056303
C         3.4211948557       10.3790697326        1.0815258068
C         3.8125170888        9.6841618602       -0.2378664117
C         4.6667798197        8.4277388212       -0.0158820000
C         4.0131899446        7.4693148979        0.9883377296
C         3.6736339427        8.1847723251        2.3067396042
C         0.8807273159       11.4383918797        3.0397471806
C        -0.3424919453       10.8012734970        2.3573905655
C        -1.3194757469       11.8677839223        1.8436587179
C        -1.7558300999       12.8060050838        2.9745868643
C        -0.5392379490       13.4484390259        3.6498499242
C         0.4440044758       12.3857770660        4.1748960417
Rh        1.1770510393        8.6003362478        5.1148811919
P         2.0706482183       10.1280611506        3.6053914660
P         2.5565473604        9.6338618633        6.6121582944
C         0.3443854589        7.3143268111        3.4754874511
C        -0.4903908003        7.2590017515        4.6030622546
C         0.0479368861        6.8460468584        5.8631785721
H         1.3512095429        9.1793608975        8.5882340600
H         0.7984087791       11.9907532249        7.4974707618
H        -0.1680006879       10.5513335096        7.1638162410
H        -0.6856487960       10.3185924992        9.5994190483
H        -1.1765693017       11.9031043636        9.0087162297
H         0.0378471608       12.0716160784       11.2148592000
H         0.8840605187       12.9386797012        9.9374142522
H         2.5236662003       11.6198977547       11.2349323440
H         1.5680631988       10.1485018457       11.0172566833
H         3.4862387767       10.1313323372        9.4714804480
H         3.0519032797       11.7158650388        8.8388950196
H         4.6536557070        9.2457171372        7.7264850759
H         5.2168953282        8.9668738533        5.3385210433
H         4.1207017387        7.5885068521        5.2046705188
H         6.7002097639        7.7111285915        6.8719861651
H         6.4620775285        6.8179056166        5.3727552830
H         6.2569609930        5.3098291770        7.3906694586
H         4.7537491633        5.3718047595        6.4834460963
H         4.2987869228        5.6190020111        8.9292607435
H         5.3983280566        6.9941598092        9.0078607277
H         3.0662096985        7.7819116619        8.9022070624
H         2.7636751950        6.8479635050        7.4408893076
H         4.2663478324       11.3860756844        6.3969550386
H         2.6281147105       11.9993741646        6.1526553658
H         4.3972487142       10.5233209518        4.1199950939
H         3.5600739957       12.0632017189        3.9074447733
H         1.8364605254        8.9920144189        1.5455767146
H         4.3212290934       10.7908722114        1.5594929556
H         2.7642751990       11.2304532147        0.8636396444
H         4.3509349531       10.4017644419       -0.8745025427
H         2.8944148944        9.4046556988       -0.7772135510
H         5.6597431377        8.7183784649        0.3537870369
H         4.8328976085        7.9133069343       -0.9744098727
H         4.6739504997        6.6146819882        1.1872721012
H         3.0890216659        7.0512129372        0.5613492015
H         4.6026377766        8.5377355236        2.7795819590
H         3.2108763803        7.4837600888        3.0152468398
H         1.4333629345       12.0338760512        2.2935429989
H        -0.8538236668       10.1528472048        3.0859583371
H        -0.0269734580       10.1586831073        1.5276060472
H        -2.1890894488       11.3783009044        1.3852311195
H        -0.8365573117       12.4530887377        1.0458969735
H        -2.3356334842       12.2415536403        3.7188681661
H        -2.4304101432       13.5775865802        2.5785621267
H        -0.8462982280       14.1006574517        4.4803558910
H        -0.0223831523       14.0969467320        2.9283717141
H         1.3167616017       12.8855658377        4.6192309872
H        -0.0317233256       11.7963193388        4.9738982257
H        -1.4779369220        7.7220659681        4.5725212674
H        -0.0408135446        7.7397874608        2.5524616702
H         1.1708524969        6.6110475806        3.3689503205
H        -0.6091727428        6.8211254254        6.7307311883
H         0.8589029874        6.1139583615        5.8888107559
H         0.4994265253        8.5150873139        6.5354243481
C         9.2795407515        2.2147286182       11.7728785154
C        10.5166801899        1.3378499065       12.0526857527
C        11.3109644437        1.1004341814       10.7573949513
C        10.4300616186        0.4481261850        9.6823375013
C         9.1672797951        1.2812807037        9.4171031689
C         8.3731452192        1.5747170880       10.7053046280
C         6.9691855350        3.7445153371       12.8125270844
C         6.1267610231        4.2045994913       14.0196268341
C         4.9894265479        5.1486842920       13.5958626716
C         5.5266725349        6.3497775344       12.8139121010
C         6.3108745620        5.8805021351       11.5854707852
C         7.4581318155        4.9411512746       11.9781148355
C         7.6454574809        1.1397158017       14.0182193959
C         7.4511841472        1.2290507363       15.5409242465
C         8.2305275252        2.9449074034       17.8700077330
C         7.4723484384        1.9747695048       18.7932849611
C         7.0978407968        2.6627831143       20.1196608672
C         6.3084003826        3.9605527605       19.8983357441
C         7.0386647861        4.9068164476       18.9356661796
C         7.3889339359        4.2106774701       17.6092995276
C        10.0883944824        0.8985802150       16.8834257354
C        11.3691947267        1.6097538234       17.3634398060
C        12.3989373106        0.6083450257       17.9025207339
C        12.7354049830       -0.4529207010       16.8482523971
C        11.4683110882       -1.1609989668       16.3535098332
C        10.4277025715       -0.1600302389       15.8158822249
Rh        9.7265282268        3.6950261432       14.8382352481
P         8.8614408412        2.1673055228       16.3035076754
P         8.4141684833        2.6995336476       13.3425984717
C        11.0470747030        4.7456139704       13.3399541649
C        10.5902527166        5.5937579764       14.3439920509
C        11.1151989618        5.4729278880       15.7401626641
H         9.6438760046        3.1765949502       11.3793979741
H        10.1997644709        0.3653356381       12.4598405537
H        11.1481499880        1.8115599309       12.8192628489
H        11.6980276059        2.0626016771       10.3885309711
H        12.1896373655        0.4748778929       10.9698447796
H        10.9984522773        0.3201290329        8.7489081701
H        10.1433342922       -0.5617065509       10.0105988594
H         8.5113154591        0.7585287532        8.7047390104
H         9.4545900134        2.2335561882        8.9455159482
H         7.5217258824        2.2276292429       10.4701374666
H         7.9552702257        0.6389884716       11.0941631534
H         6.3469716752        3.0938995341       12.1745942928
H         5.7053115851        3.3370093213       14.5463470818
H         6.7890276820        4.7199134681       14.7323100168
H         4.2671863846        4.6022850834       12.9743195506
H         4.4422018218        5.4743287589       14.4935157798
H         4.7072813695        7.0135189877       12.5063155754
H         6.1794747551        6.9495589901       13.4635683647
H         6.7171063691        6.7380223106       11.0296401676
H         5.6309597951        5.3564032906       10.8980730904
H         7.9679850025        4.5873866260       11.0747914359
H         8.2028195302        5.5031730669       12.5621917520
H         6.6988198355        0.9358545074       13.4974467039
H         8.3337702330        0.3212776790       13.7667121082
H         6.5362256396        1.7848356656       15.7872752894
H         7.3555661526        0.2335441502       15.9976725261
H         9.1568636179        3.2608103611       18.3806302279
H         6.5561807185        1.6365923822       18.2897393424
H         8.0670722454        1.0762667113       18.9990154342
H         6.5164796916        1.9615547315       20.7366157701
H         8.0196678455        2.8917117212       20.6768387920
H         5.3152136179        3.7214240004       19.4931045967
H         6.1357452489        4.4637860622       20.8614790560
H         6.4275175552        5.7980710717       18.7377592568
H         7.9668213963        5.2678587901       19.4031670706
H         6.4614867154        3.9336434643       17.0854448621
H         7.9294249766        4.8990935171       16.9417097445
H         9.6222938066        0.3847893842       17.7407679556
H        11.8015568644        2.1589418523       16.5106436972
H        11.1364621709        2.3556748572       18.1327509615
H        13.3032793824        1.1453184379       18.2193737663
H        11.9985098914        0.1202300335       18.8044094414
H        13.2472165689        0.0234969237       15.9993768635
H        13.4444432568       -1.1808853576       17.2668330700
H        11.7090217636       -1.8920542188       15.5679298978
H        11.0238992515       -1.7355422738       17.1789536337
H         9.5227571410       -0.7025961990       15.5059638132
H        10.8244085096        0.3443335974       14.9208913429
H         9.8714129027        6.3838749613       14.1261298181
H        10.6938392555        4.8833606065       12.3210747055
H        11.9691973892        4.1744645639       13.4491769990
H        10.8416563149        6.3207713608       16.3756910834
H        12.1928711121        5.2757867115       15.7954074266
H        10.6349772946        4.5791776797       16.3151832350
C         7.2996217716        2.9496653459        5.1697014604
C         6.8228550479        2.5754424679        6.4396168451
C         5.4565450453        2.4622937347        6.7166186802
C         4.4979085007        2.7229061059        5.7364585410
C         4.9444511374        3.1088674072        4.4721373207
C         6.3168067166        3.2095216917        4.1933510433
C         5.0395427712        2.0736757587        8.1010022392
C         3.9528038626        3.4551585629        3.3951345898
C         9.3557570946        3.9213014910        3.6371463404
C         8.7437202911        5.1718234171        3.4383786399
C         9.1904825383        6.0709799065        2.4573963659
C        10.2719868499        5.7501787218        1.6383141589
C        10.9157952607        4.5237161092        1.8414930912
C        10.4721082198        3.6368129458        2.8251841327
C         8.5280193900        7.4154443727        2.3409331460
C        12.1227838351        4.2016019186        1.0100189108
C         9.1292671570        1.3264882823        4.4382990638
C         8.9122392761        0.8642042976        3.1276242296
C         8.9848143633       -0.4932949913        2.7937596041
C         9.2720789431       -1.4548315568        3.7730125744
C         9.4821089787       -1.0178810472        5.0882687234
C         9.4086931536        0.3448552494        5.4067755188
C         8.8225089121       -0.8766602656        1.3445195123
C         9.8627379728       -1.9844596450        6.1833158028
C         9.8384250235        3.3779024266        6.1014837029
C        11.1324659538        2.8786263340        6.3449087663
C        11.9468077752        3.3874781332        7.3726692273
C        11.4933938771        4.4134524752        8.1965217575
C        10.2200928916        4.9387005475        7.9534861856
C         9.4156537060        4.4384907939        6.9285759505
C        13.3480902286        2.8683397899        7.5434980275
C         9.7573939235        6.0598735812        8.8271713177
B         8.9075621826        2.8989736074        4.8354378465
H         7.5354211985        2.3629411490        7.2361608358
H         3.4387790488        2.6533173083        5.9584841925
H         6.6220352896        3.4998359315        3.1882732173
H         7.8926830098        5.4559931884        4.0567213572
H        10.6026352977        6.4356528747        0.8654049918
H        11.0023075767        2.6952169869        2.9570795868
H         8.6775173567        1.5804205168        2.3412376072
H         9.3440257116       -2.5076915614        3.5183224040
H         9.5701208303        0.6444901069        6.4418253705
H        11.5239805573        2.0773988508        5.7176480143
H        12.1174884102        4.8007705140        8.9963872374
H         8.4343431390        4.8817473950        6.7693223884
F         9.8770968767        5.7342215816       10.1599953257
F        10.5121047718        7.1994145853        8.6766860926
F         8.4645750974        6.4133791396        8.6089057271
F        14.0897062874        3.1230224162        6.4032537113
F        14.0137735770        3.4254696796        8.5997579261
F        13.4047869250        1.5147831676        7.7241530660
F         9.1895495270       -1.7352207154        7.3566523494
F        11.2105746625       -1.9272978502        6.4754835369
F         9.6053178329       -3.2839393822        5.8771828858
F         8.6360553599       -2.2232444093        1.1755630261
F         9.9251602038       -0.5159157262        0.5914267819
F         7.7616417100       -0.2368281045        0.7411476749
F        12.4215923117        2.8774245786        0.9550413214
F        13.2596524356        4.8107401901        1.4719915053
F        11.9537840526        4.6313789773       -0.2947411476
F         8.8158678190        8.0783169433        1.1817447727
F         8.9058651705        8.2439322299        3.3835529457
F         7.1655663567        7.3381882827        2.4270296387
F         3.9896274320        2.5723524236        2.3476792757
F         4.2184149849        4.6983688671        2.8681936433
F         2.6534021525        3.4698916346        3.8274565053
F         5.4629629454        2.9843728959        9.0474623282
F         3.6881224981        1.9400994118        8.2414942664
F         5.5917376274        0.8660566218        8.4641418316
C         3.6910888670        9.3842744675       14.6984966232
C         4.1667664317        9.7580238927       13.4276391964
C         5.5327484922        9.8714216577       13.1484730113
C         6.4919289570        9.6107648713       14.1282380574
C         6.0462760097        9.2254103296       15.3929210782
C         4.6744343799        9.1251601014       15.6737797145
C         5.9500979108       10.2606564622       11.7636546656
C         7.0372304648        8.8782010908       16.4695338757
C         1.6329844713        8.4193403335       16.2363447383
C         2.2406762082        7.1661826767       16.4328140648
C         1.7964922763        6.2672822669       17.4152591086
C         0.7199411815        6.5947162248       18.2406400494
C         0.0787143966        7.8255581606       18.0393717564
C         0.5205556282        8.7100768029       17.0528083871
C         2.4599328054        4.9188766827       17.5247167443
C        -1.1298839163        8.1433154772       18.8731294362
C         1.8596310023       11.0075788499       15.4257889440
C         2.0779568909       11.4706810172       16.7359624017
C         2.0036476841       12.8277910846       17.0704274377
C         1.7146276305       13.7887590164       16.0912580714
C         1.5055164212       13.3512658511       14.7759878638
C         1.5783317086       11.9884091101       14.4574216879
C         2.1671263968       13.2106315065       18.5199303018
C         1.1273659833       14.3183687741       13.6809207174
C         1.1543861705        8.9446335879       13.7702949841
C        -0.1424061444        9.4359810852       13.5319234956
C        -0.9555358517        8.9201810619       12.5069659316
C        -0.5044610188        7.8956697572       11.6842564952
C         0.7733478441        7.3823468131       11.9190977089
C         1.5805056637        7.8879750637       12.9390687906
C        -2.3435511814        9.4571056634       12.3243464000
C         1.2338159115        6.2693977953       11.0362071558
B         2.0832629614        9.4344370311       15.0327156417
H         3.4530277017        9.9696484476       12.6323431581
H         7.5507722633        9.6807329343       13.9053876593
H         4.3707567884        8.8351941631       16.6795309549
H         3.0869974442        6.8796712707       15.8091025566
H         0.3867009919        5.9082868373       19.0122285840
H        -0.0068309315        9.6539960531       16.9229527267
H         2.3146333902       10.7551789667       17.5222794387
H         1.6420115267       14.8416626041       16.3454145304
H         1.4146566334       11.6879201317       13.4231860940
H        -0.5362147653       10.2384307713       14.1563292791
H        -1.1298230593        7.5059762129       10.8870694811
H         2.5665203168        7.4528246063       13.0905715358
F         1.1123485112        6.6000148667        9.7046515417
F         0.4795247782        5.1323580618       11.1856165300
F         2.5278320674        5.9192745729       11.2543406646
F        -3.0995740174        9.2141244199       13.4597543046
F        -3.0206648282        8.9113401671       11.2673964017
F        -2.3484112340       10.8139528436       12.1403906690
F         1.8004447350       14.0692957883       12.5077848207
F        -0.2212684994       14.2614152726       13.3881762467
F         1.3842178596       15.6171818417       13.9868299369
F         2.3538454881       14.5573719318       18.6884989160
F         1.0645832826       12.8498300784       19.2724919111
F         3.2280722302       12.5706436157       19.1227729394
F        -1.4329830262        9.4639733752       18.9720728301
F        -2.2657367580        7.5287800923       18.3933569688
F        -0.9639649828        7.6974085781       20.1649444548
F         2.1738862780        4.2553834624       18.6830416861
F         2.0832563686        4.0917764769       16.4812753944
F         3.8228339044        4.9965016781       17.4370766251
F         7.0004173959        9.7615154134       17.5164353956
F         6.7715127118        7.6357095084       16.9956912757
F         8.3369672157        8.8639188904       16.0364547208
F         5.5270901108        9.3494869132       10.8167261472
F         7.3016760958       10.3937218843       11.6226030290
F         5.3984245057       11.4679436817       11.3998188907
310
SCF Energy = -2189.6980398573 (a.u.)
Lowest Frequencies = i547.208494  22.138499  29.323155 (cm^-1)
TS(IIrot-I'rot) / [1-(propene)][BArF4]
C         1.6746585073       10.0397520787        8.1151022644
C         0.4044899972       10.8665402506        7.8236947403
C        -0.3788184495       11.1348005745        9.1201942418
C         0.4971156745       11.8431203198       10.1637426260
C         1.7779023805       11.0442802132       10.4457407371
C         2.5664809016       10.7383606069        9.1582586448
C         4.0386684767        8.5723919581        7.0767748697
C         4.8012970553        8.0464939736        5.8421349194
C         5.9702221675        7.1251069155        6.2282501146
C         5.4978480602        5.9755448475        7.1207402885
C         4.8205549788        6.5236101769        8.3790110483
C         3.6347962165        7.4285062726        8.0226650296
C         3.3040962879       11.1437724990        5.8825938802
C         3.4918407961       11.0726935450        4.3603018762
C         2.7181275869        9.4016454259        2.0025739991
C         3.4545782176       10.3744648730        1.0644125650
C         3.8631972685        9.6725866638       -0.2446287932
C         4.6754442675        8.3944689322        0.0059706315
C         3.9537824699        7.4490479641        0.9758866320
C         3.5822458944        8.1577930172        2.2899257212
C         0.9607047205       11.5714037374        2.9591133056
C        -0.1609017124       11.0361230323        2.0517386884
C        -1.1592863141       12.1276794301        1.6391485900
C        -1.7264612659       12.8525995061        2.8631103512
C        -0.5895090757       13.4607685557        3.6887719894
C         0.4017025093       12.3787070606        4.1499329808
Rh        1.1227310758        8.6726578769        4.9606629343
P         2.0658929802       10.1946386840        3.5486646821
P         2.5565556873        9.5737063160        6.5494578678
C        -0.3975652834        7.3603899797        4.0207961173
C        -0.4624119589        7.2253387267        5.4456887627
C         0.6717261766        6.8271372338        6.1711813353
H         1.3487377582        9.0673917423        8.5203542408
H         0.6832040491       11.8299689210        7.3698328481
H        -0.2228656351       10.3422984832        7.0862497310
H        -0.7420897477       10.1793067487        9.5277842538
H        -1.2728181618       11.7340024117        8.8945535153
H        -0.0665003642       11.9921626697       11.0967147704
H         0.7618888572       12.8462415558        9.7980879151
H         2.4271930061       11.5990438943       11.1399041437
H         1.5136499677       10.0986576126       10.9432929501
H         3.4456026005       10.1251048722        9.3988206676
H         2.9451793175       11.6784671259        8.7384528858
H         4.6937132092        9.2691284668        7.6258408169
H         5.1808117885        8.8855492743        5.2422475046
H         4.0975340166        7.4944914032        5.1997519745
H         6.7389632528        7.7042774967        6.7569831378
H         6.4415275962        6.7448251409        5.3093301943
H         6.3372318409        5.3233905044        7.3964324467
H         4.7904392216        5.3440000132        6.5649923619
H         4.4651149325        5.7023734853        9.0176343609
H         5.5526176873        7.0898281529        8.9729079570
H         3.1894320088        7.8340509441        8.9391140029
H         2.8610689414        6.8160848662        7.5427673396
H         4.2535406662       11.3525801200        6.3958755700
H         2.6124149209       11.9546750465        6.1479777278
H         4.3988618194       10.5087199343        4.1035317327
H         3.6028626212       12.0746811465        3.9205541064
H         1.8000919474        9.0517284535        1.5007846977
H         4.3540492898       10.7566582511        1.5676706010
H         2.8304991279       11.2467639268        0.8339149239
H         4.4388950559       10.3761962472       -0.8642903912
H         2.9543102660        9.4168873139       -0.8109704758
H         5.6591074213        8.6590854897        0.4180798585
H         4.8689862610        7.8799307384       -0.9473086835
H         4.5795989743        6.5722850016        1.1909014034
H         3.0358713848        7.0645050921        0.5068134743
H         4.5021241491        8.4571814631        2.8145989021
H         3.0452025966        7.4713390745        2.9619535187
H         1.6061607237       12.2353806318        2.3607113085
H        -0.7145535232       10.2443772381        2.5839532023
H         0.2671569109       10.5675314000        1.1573542137
H        -1.9642603086       11.6730318020        1.0460155638
H        -0.6586594837       12.8555386354        0.9841788217
H        -2.3018800917       12.1496589559        3.4830386733
H        -2.4345711680       13.6279025790        2.5412153438
H        -0.9747743649       13.9939081992        4.5698303428
H        -0.0631807685       14.2101855778        3.0821118931
H         1.2249793463       12.8478423936        4.7081938714
H        -0.1015479519       11.6889256288        4.8457113919
H        -1.3266701506        7.6287733579        5.9757814104
H        -1.2986349483        7.6666958237        3.4917312533
H         0.2624807712        6.7088037501        3.4429213800
H         0.6265212904        6.8394284345        7.2582072327
H         1.4045391511        6.1504664652        5.7277661116
H         0.0323809336        9.0923822860        3.8870134788
C         9.2835599962        2.2188155845       11.7739831583
C        10.5221373873        1.3437602416       12.0536281810
C        11.3194390149        1.1124029375       10.7590128710
C        10.4420408178        0.4616105876        9.6801928273
C         9.1778495900        1.2926175693        9.4152834633
C         8.3805111038        1.5798209720       10.7028921756
C         6.9707032377        3.7444733340       12.8149949389
C         6.1193262435        4.1907976220       14.0209003615
C         4.9839012106        5.1379761731       13.5991295975
C         5.5259269752        6.3485570985       12.8356207101
C         6.3200292816        5.8936082780       11.6084764757
C         7.4647696767        4.9505521675       11.9975793337
C         7.6457787271        1.1354291962       14.0128087453
C         7.4461706871        1.2216470248       15.5350460614
C         8.2168632227        2.9357764105       17.8694857372
C         7.4565150742        1.9641073881       18.7891326847
C         7.0790743526        2.6494019541       20.1162907099
C         6.2911141742        3.9484720773       19.8963314673
C         7.0235427296        4.8957291903       18.9363389088
C         7.3754103660        4.2016364749       17.6094948009
C        10.0816166021        0.8960219321       16.8827282501
C        11.3611629445        1.6117618742       17.3591476316
C        12.3937410396        0.6140463702       17.8984270957
C        12.7320305062       -0.4491734110       16.8468908532
C        11.4661133882       -1.1607353250       16.3541044451
C        10.4227081788       -0.1629216380       15.8161080976
Rh        9.7207456661        3.6927960992       14.8442257663
P         8.8521447713        2.1618825472       16.3028857928
P         8.4143434980        2.6977240725       13.3432113204
C        11.0454387013        4.7492502764       13.3520943112
C        10.5849122842        5.5936715505       14.3574467969
C        11.1047958883        5.4688902019       15.7550357016
H         9.6465941728        3.1825027355       11.3837493703
H        10.2064976662        0.3693143752       12.4571291072
H        11.1510390782        1.8165286235       12.8229299717
H        11.7048580266        2.0766920602       10.3940507870
H        12.1993608147        0.4882056980       10.9702507229
H        11.0130653476        0.3389498303        8.7476575556
H        10.1572400445       -0.5500829826       10.0043912712
H         8.5243737758        0.7705591281        8.7000864890
H         9.4638202329        2.2470158744        8.9473603306
H         7.5280471740        2.2315962663       10.4681356409
H         7.9640836685        0.6417602448       11.0879263673
H         6.3537166822        3.1001729850       12.1656822008
H         5.6952176943        3.3173557813       14.5355296321
H         6.7759164145        4.6998752821       14.7432008197
H         4.2677584960        4.5976914181       12.9652438865
H         4.4285881806        5.4519889731       14.4959062417
H         4.7083614296        7.0147621910       12.5284448178
H         6.1725881259        6.9418315480       13.4972641019
H         6.7283636518        6.7569765569       11.0637052866
H         5.6454900398        5.3756332681       10.9115907593
H         7.9802139433        4.6071402918       11.0935106702
H         8.2056050662        5.5057491794       12.5928756979
H         6.7012957202        0.9312876685       13.4882355173
H         8.3361389379        0.3185031451       13.7620226800
H         6.5291454393        1.7748683348       15.7793747304
H         7.3514648057        0.2251441413       15.9898126882
H         9.1419546668        3.2509148688       18.3828596786
H         6.5415581468        1.6275420070       18.2825354699
H         8.0502315555        1.0648233491       18.9941046213
H         6.4959810409        1.9471716581       20.7304436390
H         7.9999016789        2.8763310443       20.6760955346
H         5.2984820308        3.7109830502       19.4890445069
H         6.1168306032        4.4503998573       20.8598893454
H         6.4131431906        5.7875159589       18.7387894411
H         7.9511107946        5.2556423554       19.4058604314
H         6.4485780203        3.9248758999       17.0844306132
H         7.9163182030        4.8911506480       16.9434075435
H         9.6182930092        0.3821141252       17.7415429688
H        11.7901396952        2.1607844217       16.5045311025
H        11.1274822272        2.3583410884       18.1276168571
H        13.2971742098        1.1533972670       18.2139427385
H        11.9946428396        0.1270092761       18.8010590679
H        13.2430915155        0.0258646823       15.9967566368
H        13.4421669021       -1.1748666612       17.2675704423
H        11.7078919333       -1.8922975788       15.5693714797
H        11.0235870299       -1.7353296591       17.1806007988
H         9.5189401027       -0.7079615717       15.5072381257
H        10.8177023985        0.3415470520       14.9203847137
H         9.8659813089        6.3838315457       14.1398921396
H        10.6947934829        4.8897207652       12.3326417275
H        11.9674946177        4.1781982942       13.4624270796
H        10.8298061145        6.3154971366       16.3915151239
H        12.1819951481        5.2703929040       15.8138341737
H        10.6209272024        4.5746810292       16.3264560927
C         7.3014566795        2.9496016393        5.1695919578
C         6.8246250395        2.5748542390        6.4395449529
C         5.4582159739        2.4613725018        6.7166908609
C         4.4997542736        2.7229258262        5.7364115619
C         4.9461544121        3.1095945872        4.4721860445
C         6.3186979948        3.2100310631        4.1933370692
C         5.0400298418        2.0723728749        8.1013262424
C         3.9541475945        3.4561134741        3.3954824076
C         9.3568477005        3.9228892243        3.6372595272
C         8.7432103622        5.1722588678        3.4368073275
C         9.1863194166        6.0696405527        2.4528350679
C        10.2658218314        5.7481900485        1.6308128505
C        10.9143123662        4.5248339061        1.8390056867
C        10.4743024730        3.6402173969        2.8264431022
C         8.5250489359        7.4148924376        2.3392614718
C        12.1220035353        4.2030327475        1.0087301762
C         9.1340694818        1.3283210065        4.4371785335
C         8.9158934385        0.8656473838        3.1267615704
C         8.9873757852       -0.4921253043        2.7933489239
C         9.2754611917       -1.4532623353        3.7727181616
C         9.4869859738       -1.0159512620        5.0876301539
C         9.4150926472        0.3469863600        5.4056305576
C         8.8233790170       -0.8766315214        1.3446767788
C         9.8639662327       -1.9831179079        6.1834726550
C         9.8405975221        3.3803781310        6.1007832222
C        11.1335596902        2.8800932530        6.3456389610
C        11.9488755876        3.3904769371        7.3714581098
C        11.4974191874        4.4197886397        8.1917190810
C        10.2237966923        4.9437314313        7.9497250723
C         9.4187393116        4.4423967010        6.9260805432
C        13.3489668410        2.8693697975        7.5427325517
C         9.7594760642        6.0618460350        8.8256636346
B         8.9099265784        2.9003101637        4.8355962058
H         7.5374963902        2.3628561685        7.2359463303
H         3.4405758618        2.6532340845        5.9583884180
H         6.6239928002        3.5006708743        3.1883275474
H         7.8939860001        5.4571533292        4.0570716278
H        10.5948700556        6.4325239909        0.8558682217
H        11.0086463227        2.7016686523        2.9626509967
H         8.6803800693        1.5816514677        2.3403600292
H         9.3455402081       -2.5063777853        3.5186651633
H         9.5771614170        0.6470713146        6.4404393278
H        11.5236700798        2.0763982661        5.7210382051
H        12.1210150768        4.8071581782        8.9916454306
H         8.4375839274        4.8855587164        6.7666042779
F         9.8774184763        5.7342347767       10.1591631922
F        10.5126453406        7.2009669369        8.6767814514
F         8.4652243761        6.4135451125        8.6087903492
F        14.0902306800        3.1227727557        6.4031100293
F        14.0141147393        3.4256170062        8.5999395815
F        13.4046895343        1.5150741129        7.7241760407
F         9.1898178107       -1.7349124246        7.3562947623
F        11.2114016818       -1.9275018538        6.4758242564
F         9.6055945344       -3.2827778546        5.8770250098
F         8.6361768199       -2.2230458650        1.1756153001
F         9.9257861818       -0.5159978892        0.5912805765
F         7.7620231994       -0.2368827570        0.7413611011
F        12.4219578962        2.8794009110        0.9550997563
F        13.2596327983        4.8129056251        1.4729972347
F        11.9540303081        4.6315979093       -0.2950715554
F         8.8155244268        8.0785338389        1.1813917807
F         8.9056912647        8.2431172843        3.3828217942
F         7.1637776929        7.3384137905        2.4268596363
F         3.9897352689        2.5723354204        2.3477545254
F         4.2186929422        4.6983157470        2.8682256664
F         2.6542077019        3.4702880290        3.8277289963
F         5.4630723680        2.9842656372        9.0473661745
F         3.6884132153        1.9400509334        8.2413552709
F         5.5914571279        0.8650817971        8.4644195212
C         3.6895195616        9.3847111252       14.6980031500
C         4.1648383760        9.7607540296       13.4274331990
C         5.5311547896        9.8722215334       13.1481865499
C         6.4902206290        9.6104703558       14.1278413028
C         6.0449872020        9.2250128005       15.3926919485
C         4.6729709849        9.1240166130       15.6729687134
C         5.9493586072       10.2610183553       11.7631931258
C         7.0366062540        8.8780349297       16.4692043671
C         1.6310481390        8.4184823278       16.2368042650
C         2.2388480684        7.1650635198       16.4317201092
C         1.7959745630        6.2661164955       17.4144929485
C         0.7205378019        6.5927441350       18.2413461762
C         0.0790637147        7.8233731692       18.0422463155
C         0.5196908158        8.7085635210       17.0553499857
C         2.4598832452        4.9184816835       17.5242743961
C        -1.1287522434        8.1392694457       18.8784303061
C         1.8579226622       11.0069092224       15.4255814580
C         2.0772758819       11.4701331851       16.7356221957
C         2.0031008655       12.8273605360       17.0698184360
C         1.7132994358       13.7880100999       16.0905467535
C         1.5044227339       13.3504115867       14.7753229907
C         1.5769138881       11.9875734219       14.4567656879
C         2.1673214284       13.2107745003       18.5188543266
C         1.1268475915       14.3178156331       13.6801994173
C         1.1534519686        8.9444131956       13.7699714763
C        -0.1432823739        9.4354079002       13.5310023609
C        -0.9564970301        8.9187258489       12.5066978879
C        -0.5059275320        7.8928700240       11.6853342990
C         0.7725629210        7.3810699037       11.9200701985
C         1.5801195251        7.8880229287       12.9389036819
C        -2.3439947454        9.4566699311       12.3239327901
C         1.2341470812        6.2683372355       11.0384324910
B         2.0814568448        9.4338878998       15.0328863219
H         3.4510066704        9.9751905496       12.6323584514
H         7.5490361912        9.6798392799       13.9046313215
H         4.3688323336        8.8323600434       16.6780696451
H         3.0841862951        6.8786198231       15.8065842207
H         0.3884689369        5.9060299115       19.0131133679
H        -0.0083463796        9.6522696478       16.9264587768
H         2.3152769589       10.7546656105       17.5216960343
H         1.6401264674       14.8409352796       16.3445324292
H         1.4133599296       11.6870464913       13.4222656956
H        -0.5374022267       10.2382370543       14.1546758289
H        -1.1314713351        7.5019835402       10.8888958182
H         2.5665898657        7.4537048813       13.0899099694
F         1.1131289236        6.6003277531        9.7049073038
F         0.4796144837        5.1321878789       11.1854877027
F         2.5279462868        5.9192126427       11.2544226438
F        -3.0997137901        9.2140756466       13.4596837250
F        -3.0209615773        8.9112445629       11.2670463542
F        -2.3484392298       10.8136623500       12.1403777938
F         1.8001371393       14.0688750319       12.5072851447
F        -0.2215660917       14.2613817039       13.3880340830
F         1.3841582041       15.6165542995       13.9866882232
F         2.3536986411       14.5572215666       18.6883152476
F         1.0648642084       12.8498521401       19.2721718016
F         3.2279985435       12.5707248531       19.1224922186
F        -1.4332992653        9.4602997957       18.9723705867
F        -2.2657462088        7.5279531649       18.3938290607
F        -0.9636864550        7.6972870173       20.1688758919
F         2.1738834652        4.2552229041       18.6829115270
F         2.0833003405        4.0914405589       16.4810495201
F         3.8227562342        4.9964314484       17.4369943963
F         7.0002945610        9.7614835826       17.5163141377
F         6.7714186749        7.6356244100       16.9957290555
F         8.3365446168        8.8639066945       16.0363666696
F         5.5268358381        9.3496406527       10.8166342440
F         7.3014178994       10.3937236999       11.6226804397
F         5.3981832858       11.4681923873       11.3996046255
319
SCF Energy = -2210.3394441684 (a.u.)
Lowest Frequencies = 25.434102  36.404051  39.425831 (cm^-1)
Ibis-1 (bis-propene) / [1-(propene)2][BArF4]
C         1.7212641759       10.1446184116        8.2035008234
C         0.5821280064       11.1433941943        7.9171996191
C        -0.2314071685       11.3959997567        9.1951853747
C         0.6710282656       11.9696216338       10.2952527630
C         1.8857567168       11.0651238317       10.5548380589
C         2.6693116822       10.7145462947        9.2727559300
C         3.9881743334        8.5392804725        7.1372268185
C         4.8011401630        8.0670363230        5.9158525564
C         5.9830035358        7.1676852893        6.3157847088
C         5.5181736945        5.9810527586        7.1633273775
C         4.7795685742        6.4784131216        8.4086819907
C         3.5813603118        7.3554052954        8.0267153146
C         3.3064750736       11.0906812043        5.9239217755
C         3.5060102331       11.0015938727        4.4062889419
C         2.9192786058        9.4494354875        1.9823962560
C         3.2835130291       10.5048723949        0.9236702315
C         3.6918461422        9.8045295543       -0.3916662943
C         4.7610237553        8.7130984325       -0.2292426574
C         4.4395057457        7.7598483412        0.9260124587
C         4.1549767808        8.5533348340        2.2130997921
C         0.9590795504       11.4126236987        3.0578437522
C        -0.1305281216       10.9295068228        2.0853806577
C        -1.0754454224       12.0717621019        1.6807740447
C        -1.7240428060       12.7023080483        2.9176518166
C        -0.6531529016       13.2109624216        3.8869874710
C         0.3247352228       12.0932972348        4.2878456322
Rh        1.1292707179        8.5173164696        5.0195921564
P         2.1406102768       10.0528065005        3.5664886182
P         2.5076597583        9.5580439490        6.6207102986
C         0.4408641673        7.2308799455        6.7463543256
C        -0.6776693513        7.5891433526        6.0061349065
C        -1.6390859197        8.6800450490        6.3192715231
H         1.2608344802        9.2357187054        8.6221097343
H         1.0043703622       12.0992182984        7.5728032671
H        -0.0596560449       10.7781877994        7.1057917262
H        -0.6840133204       10.4511792770        9.5340028218
H        -1.0639335955       12.0807502883        8.9826554002
H         0.1007782157       12.1058268394       11.2260603856
H         1.0126444494       12.9700883645        9.9932533454
H         2.5680854920       11.5530701692       11.2664497384
H         1.5434698358       10.1323710176       11.0287612164
H         3.4650446395        9.9992905836        9.5175791797
H         3.1616099014       11.6143350726        8.8848928782
H         4.6133837386        9.2292867799        7.7284471148
H         5.1762817242        8.9262929140        5.3443840630
H         4.1268976481        7.5106605621        5.2465740103
H         6.7173287381        7.7556525927        6.8833003789
H         6.4958754690        6.8273563749        5.4031994038
H         6.3686466974        5.3503139056        7.4541971989
H         4.8517433763        5.3398401297        6.5682276192
H         4.4267160579        5.6322175091        9.0153062350
H         5.4729411754        7.0515580588        9.0410497639
H         3.0801650574        7.7176082125        8.9316573277
H         2.8539415131        6.7356187209        7.4875095077
H         4.2588485288       11.2685881345        6.4437473492
H         2.6488849049       11.9306836341        6.1795268365
H         4.4398042776       10.4763753304        4.1697300752
H         3.5812575236       12.0004972033        3.9520905991
H         2.1298788199        8.8132900438        1.5501750460
H         4.1073817101       11.1309022200        1.2931138676
H         2.4444138864       11.1808313817        0.7203976919
H         4.0518935596       10.5621495604       -1.1009887889
H         2.7901974157        9.3552731290       -0.8336316122
H         5.7398272041        9.1751744066       -0.0537180984
H         4.8542102744        8.1462446778       -1.1675182740
H         5.2641092291        7.0539252068        1.0817668682
H         3.5587405397        7.1498929641        0.6712945955
H         5.0242479170        9.1861453808        2.4444099769
H         4.0222671263        7.8848761539        3.0691151127
H         1.5915678986       12.1522005514        2.5382244423
H        -0.7207229719       10.1417137321        2.5726108266
H         0.3216128495       10.4805852358        1.1922435592
H        -1.8434916222       11.6837937498        0.9973665904
H        -0.5174436570       12.8388559083        1.1240444950
H        -2.3533806457       11.9560001651        3.4233700217
H        -2.3976945369       13.5176358764        2.6194939456
H        -1.1099546278       13.6256103493        4.7978247663
H        -0.0969032496       14.0330318088        3.4166048789
H         1.1005310444       12.5099280927        4.9440988192
H        -0.2086058386       11.3291812127        4.8751518596
H        -1.0709970866        6.8602592467        5.2980577084
H         0.8901414436        6.2467922146        6.6130570809
H         0.6260058979        7.7013633076        7.7049875243
H        -2.6453144440        8.2642040333        6.4689576887
H        -1.3697714090        9.2490442388        7.2132292646
H        -1.7174237527        9.3710681573        5.4696102367
C         9.2820860240        2.1920083288       11.7718074429
C        10.5152577079        1.3101577886       12.0539813023
C        11.3197647653        1.0820470725       10.7634360036
C        10.4459224166        0.4397073517        9.6766348540
C         9.1882038841        1.2792817264        9.4073969468
C         8.3833929141        1.5638572672       10.6909886712
C         6.9676690868        3.7186560235       12.8147788953
C         6.1311624240        4.1808518124       14.0251156500
C         5.0045065824        5.1412406135       13.6100352311
C         5.5549926890        6.3418874556       12.8376287515
C         6.3305746308        5.8710317793       11.6048940296
C         7.4667995208        4.9149817452       11.9868417153
C         7.6332146679        1.1010441689       14.0007276975
C         7.4301413222        1.1816889723       15.5229154716
C         8.2104352706        2.8947900750       17.8589116730
C         7.4496307164        1.9302036880       18.7840629437
C         7.0719289973        2.6237968878       20.1067777122
C         6.2842221125        3.9216791076       19.8800370058
C         7.0171248968        4.8636541516       18.9153575306
C         7.3708860997        4.1612671891       17.5930043460
C        10.0677266149        0.8396011443       16.8665537902
C        11.3545453120        1.5543181387       17.3226801312
C        12.3933338593        0.5618585499       17.8586705760
C        12.7198591960       -0.5059176741       16.8086738865
C        11.4469664118       -1.2195430062       16.3366691398
C        10.3953488254       -0.2269879197       15.8034897507
Rh        9.7153779787        3.6480570164       14.8467843268
P         8.8403767202        2.1120798537       16.2940099923
P         8.4076582376        2.6646515257       13.3399067258
C        11.0537521663        4.7055493459       13.3693425369
C        10.5928479028        5.5471880795       14.3768728822
C        11.1050424043        5.4113105233       15.7767491902
H         9.6514413084        3.1568966757       11.3905796208
H        10.1931476712        0.3347235057       12.4498270414
H        11.1410825322        1.7760381124       12.8299904008
H        11.7111398607        2.0464057391       10.4049747370
H        12.1955168948        0.4532647154       10.9782730973
H        11.0209924568        0.3163553340        8.7467244705
H        10.1533621776       -0.5712776771        9.9961966593
H         8.5372671893        0.7657856604        8.6838958229
H         9.4837654727        2.2346332374        8.9473228839
H         7.5356855135        2.2212996323       10.4548122208
H         7.9595761625        0.6259802322       11.0677341092
H         6.3403695508        3.0754633629       12.1743094397
H         5.7013025174        3.3151246011       14.5477453597
H         6.8004725149        4.6847360563       14.7392288645
H         4.2759869530        4.6094279155       12.9835992049
H         4.4615390117        5.4651721266       14.5108713805
H         4.7429647954        7.0179831256       12.5369890272
H         6.2166413045        6.9281168762       13.4904297278
H         6.7453719894        6.7262873694       11.0521426357
H         5.6424048698        5.3589689844       10.9172173969
H         7.9682031215        4.5608380321       11.0791884859
H         8.2211572487        5.4635919014       12.5711839845
H         6.6896207635        0.9008722076       13.4731156632
H         8.3222715199        0.2832998640       13.7490206267
H         6.5149455706        1.7376195189       15.7677743631
H         7.3303024245        0.1836412307       15.9732735331
H         9.1374315756        3.2100227297       18.3685492058
H         6.5349129134        1.5900730654       18.2796775088
H         8.0437532513        1.0327370224       18.9937960166
H         6.4887814292        1.9254105243       20.7250596706
H         7.9930119104        2.8550815672       20.6644955722
H         5.2918016053        3.6827347032       19.4737102696
H         6.1085375723        4.4264514572       20.8417330428
H         6.4054642124        5.7532338389       18.7100015289
H         7.9435436235        5.2278519832       19.3838874178
H         6.4442838288        3.8830448152       17.0683603888
H         7.9134291882        4.8465179605       16.9238410210
H         9.6118239925        0.3331705941       17.7337443953
H        11.7746754386        2.0950525993       16.4583137202
H        11.1291699392        2.3067931077       18.0857377431
H        13.2995540176        1.1042606190       18.1606449464
H        12.0057653962        0.0798763725       18.7691893666
H        13.2216386473       -0.0349757290       15.9503106039
H        13.4341918983       -1.2298395067       17.2249676684
H        11.6780811058       -1.9575716148       15.5553458847
H        11.0151530953       -1.7870224325       17.1737087160
H         9.4886436735       -0.7753328431       15.5094230546
H        10.7797979251        0.2706014073       14.8994546910
H         9.8791368791        6.3422382067       14.1597148955
H        10.7099547809        4.8535711878       12.3487746234
H        11.9717453333        4.1284811903       13.4822175629
H        10.8313614798        6.2552001572       16.4175677841
H        12.1810163263        5.2073025227       15.8392655713
H        10.6148695017        4.5155756922       16.3393889213
C         7.3456588922        2.9554433534        5.1998322904
C         6.8602473170        2.6045291251        6.4736974612
C         5.4917809212        2.4504743306        6.7286225593
C         4.5486070402        2.6370034832        5.7226951815
C         5.0123384807        2.9961169759        4.4578092300
C         6.3777618957        3.1496024327        4.1988308094
C         5.0491691584        2.0716311088        8.1062244241
C         4.0305366600        3.2646005782        3.3655446097
C         9.3741792022        3.9459133880        3.6463522320
C         8.7673763108        5.1964122134        3.4489043341
C         9.1959914656        6.0772745664        2.4445613327
C        10.2464631450        5.7359863266        1.5925340034
C        10.8794082390        4.5028844250        1.7893018080
C        10.4619243830        3.6397982548        2.8047610805
C         8.5334117419        7.4199127785        2.3378664145
C        12.0619343178        4.1454739769        0.9378023190
C         9.1554196729        1.3668838917        4.4237047793
C         8.9269631967        0.9149497614        3.1098194618
C         8.9810750149       -0.4413585702        2.7714844361
C         9.2520771861       -1.4144510773        3.7365532614
C         9.4680838069       -0.9830144335        5.0443112318
C         9.4233487340        0.3752731010        5.3792525378
C         8.8214882387       -0.8404200250        1.3360086516
C         9.8479949567       -1.9446346831        6.1230049603
C         9.8649262207        3.4070135468        6.1168361911
C        11.1550219038        2.9061385297        6.3555158217
C        11.9616595018        3.4020975193        7.3916213531
C        11.5091602658        4.4160811789        8.2313666749
C        10.2355850388        4.9429599395        7.9968731366
C         9.4382072401        4.4558290233        6.9581343423
C        13.3555480613        2.8734077131        7.5482365796
C         9.7634734803        6.0576781268        8.8784084937
B         8.9436668354        2.9310479278        4.8514440758
H         7.5648622587        2.4404614425        7.2882845825
H         3.4881585024        2.5325193943        5.9237953355
H         6.6907347275        3.4228559403        3.1914460991
H         7.9339169922        5.4942661965        4.0848595997
H        10.5638643583        6.4116604457        0.8050822115
H        10.9880190882        2.6960818286        2.9355226745
H         8.6989743010        1.6354419810        2.3257314602
H         9.3109216627       -2.4668272417        3.4773858498
H         9.5948097626        0.6609796293        6.4162666206
H        11.5499765214        2.1147467087        5.7184236895
H        12.1340550750        4.7935476632        9.0347809847
H         8.4574561017        4.8993361517        6.7986938467
F         9.8709171646        5.7320688879       10.2209266797
F        10.5111861767        7.1967025997        8.7531345947
F         8.4711714851        6.4114538782        8.6166345927
F        14.0913581181        3.1234626464        6.4037831478
F        14.0189461670        3.4258471470        8.6038060391
F        13.4051557350        1.5170136780        7.7243963043
F         9.1798801857       -1.6703500207        7.2887126122
F        11.1937975161       -1.8508734117        6.4065954567
F         9.6069694127       -3.2579549622        5.8129097080
F         8.6288080731       -2.1777521124        1.1774271777
F         9.9295758822       -0.5100818598        0.5866226686
F         7.7560199138       -0.2262259773        0.7340401854
F        12.3628482214        2.8174353721        0.9569146401
F        13.1924089136        4.8088654896        1.3264602136
F        11.8913740909        4.4944419735       -0.3812698616
F         8.8159103604        8.0809643560        1.1792490393
F         8.9071610414        8.2445714736        3.3830863107
F         7.1707210747        7.3383663612        2.4281196423
F         4.0858148713        2.3530853830        2.3466926802
F         4.2519225954        4.4875536909        2.7904888725
F         2.7411596697        3.2515536167        3.8246250723
F         5.4640281408        2.9848330196        9.0500216780
F         3.6933127290        1.9411266442        8.2395389348
F         5.5925669160        0.8623715082        8.4677256034
C         3.6646783607        9.3820060482       14.6816904557
C         4.1462382670        9.7588381681       13.4137662070
C         5.5148705348        9.8643553225       13.1403331433
C         6.4656984961        9.5860269293       14.1210000248
C         6.0065923706        9.1978118999       15.3788483901
C         4.6381935022        9.1111612099       15.6574401201
C         5.9455567083       10.2593902596       11.7616940497
C         6.9780826285        8.8690125017       16.4678002230
C         1.6220481988        8.4122652095       16.2318356382
C         2.2325110780        7.1609504424       16.4296846421
C         1.7940140451        6.2644293507       17.4168420250
C         0.7206163496        6.5913893745       18.2467851827
C         0.0733473202        7.8179602843       18.0387181817
C         0.5067040087        8.6979746751       17.0452903687
C         2.4595804956        4.9177682208       17.5247890850
C        -1.1311754758        8.1388563900       18.8755883691
C         1.8558831851       11.0065434502       15.4329707667
C         2.0450378111       11.4660678787       16.7477034607
C         2.0092177871       12.8253803753       17.0779415341
C         1.7695305164       13.7922586809       16.0951698333
C         1.5751150962       13.3552602273       14.7798809939
C         1.6222221006       11.9930393045       14.4589524450
C         2.1674857821       13.2101577341       18.5237678616
C         1.1851480587       14.3226809152       13.6977203979
C         1.1455019463        8.9528961248       13.7784926493
C        -0.1480565312        9.4471628289       13.5465815413
C        -0.9615723919        8.9311229923       12.5258793601
C        -0.5104012253        7.9088179617       11.6973083099
C         0.7702081133        7.3963256478       11.9260936547
C         1.5752082109        7.8993805648       12.9468741707
C        -2.3449560778        9.4775327537       12.3488111795
C         1.2318017650        6.2729729167       11.0558105314
B         2.0682577713        9.4353509172       15.0344367271
H         3.4365432464        9.9795069997       12.6178667580
H         7.5261268630        9.6506683141       13.9057768508
H         4.3293345785        8.8281677798       16.6627985992
H         3.0779744379        6.8737818973       15.8050801944
H         0.3943252370        5.9086817447       19.0255768519
H        -0.0275058021        9.6372975899       16.9110213001
H         2.2277269390       10.7449774999       17.5409544298
H         1.7158417265       14.8471645612       16.3456001894
H         1.4694350997       11.6977131307       13.4215896276
H        -0.5379148660       10.2498672031       14.1730406226
H        -1.1382199768        7.5192397999       10.9021321349
H         2.5613486853        7.4647028035       13.0991110076
F         1.1087935578        6.5932971896        9.7166625406
F         0.4808101251        5.1368428246       11.2529342105
F         2.5275454346        5.9210810831       11.2565737902
F        -3.1099337217        9.2808477047       13.4765935511
F        -3.0288944570        8.9055412396       11.3226739573
F        -2.3464112932       10.8278933436       12.1361999580
F         1.8053536326       14.0684170136       12.5029229748
F        -0.1672467711       14.2614249325       13.4587707652
F         1.4559652654       15.6219389062       13.9889889993
F         2.3535429230       14.5574236596       18.6891935236
F         1.0643164598       12.8498117397       19.2731257658
F         3.2289190599       12.5718928934       19.1242088145
F        -1.4331904619        9.4604544541       18.9709601555
F        -2.2679334911        7.5276452123       18.3929586329
F        -0.9651756670        7.6972920957       20.1636631311
F         2.1740759593        4.2548409496       18.6835348656
F         2.0834318016        4.0912648537       16.4812518316
F         3.8226259547        4.9965264355       17.4371077647
F         6.8662697838        9.7586960040       17.5114271547
F         6.7654184869        7.6262163993       16.9986711442
F         8.2750624224        8.8716386671       16.0402088599
F         5.5269261683        9.3487949450       10.8146688094
F         7.2991403085       10.3931293103       11.6238485138
F         5.3979549393       11.4682761843       11.3993254879
H         0.4152644294        8.1847715765        2.2961336803
C         0.0679154224        7.7371311642        3.2199587819
H        -1.0038712268        7.8254110627        3.3942740903
C         0.8121512129        6.7017828858        3.7895329092
H         0.3038869323        5.9963996136        4.4475323694
H         1.9198058855        5.1408868058        2.9112103862
H         2.8634302680        6.1186659781        4.0196393902
C         2.0862236704        6.1667359941        3.2468261479
H         2.4582164251        6.7383704156        2.3969376514
319
SCF Energy = -2210.3522298926 (a.u.)
Lowest Frequencies = 24.419509  34.951190  39.054160 (cm^-1)
Ibis-2 (bis-propene) / [1-(propene)2][BArF4]
C         1.7270449270       10.2222301921        8.1493753884
C         0.6866811293       11.3380389231        7.9064761734
C        -0.1508090569       11.5370586616        9.1789068276
C         0.7540594086       11.9772652450       10.3353614718
C         1.9139443240       10.9936173369       10.5531342068
C         2.6951403064       10.6611514074        9.2640972073
C         3.9473543419        8.5530956281        7.0612100355
C         4.7494911451        8.0722282468        5.8337113920
C         5.9169997291        7.1532783699        6.2348206108
C         5.4413961987        5.9699934897        7.0807877697
C         4.6957188635        6.4695529634        8.3211948027
C         3.5116533032        7.3600308719        7.9260406181
C         3.3096938987       11.1158704465        5.8249030619
C         3.4738562955       10.9748458663        4.3077084804
C         2.7730044329        9.3979086446        1.9503351803
C         3.4880532032       10.4215435482        1.0545771426
C         3.8991104887        9.7606612295       -0.2771935703
C         4.7347164757        8.4860479364       -0.0790160049
C         4.0596584989        7.5025108083        0.8868465655
C         3.6928099365        8.1901471351        2.2111017455
C         0.9049171796       11.4467976632        3.0234677685
C        -0.0833030531       11.0475251483        1.9148620376
C        -1.0359588142       12.2031419061        1.5668548240
C        -1.7885391463       12.6935372008        2.8075991216
C        -0.8058883872       13.1368277067        3.8949710218
C         0.1640049344       12.0015122546        4.2574146008
Rh        1.1245377740        8.5170601524        5.0604178719
P         2.0491310624       10.0554846088        3.5318501973
P         2.4917492398        9.6178599945        6.5638462698
C         0.2370740055        7.4416814042        6.8086587918
C        -0.6574783768        8.4396696203        6.3976414034
C        -1.9770774629        8.2024527444        5.7248436716
H         1.1756519849        9.3427910172        8.5196659129
H         1.2042623322       12.2796172059        7.6713496720
H         0.0477386585       11.1182506581        7.0421893719
H        -0.6615505135       10.5950965902        9.4320051361
H        -0.9389650059       12.2803685553        9.0037558082
H         0.1704233546       12.0763669713       11.2625595266
H         1.1528397797       12.9771236856       10.1134250575
H         2.6135514073       11.4077684899       11.2937701599
H         1.5169665781       10.0586547084       10.9764272803
H         3.4323735517        9.8783543862        9.4828786449
H         3.2595764454       11.5418404420        8.9330564933
H         4.5932686700        9.2127970904        7.6650240834
H         5.1439479583        8.9273830836        5.2692632559
H         4.0704065625        7.5289107648        5.1576818796
H         6.6567202778        7.7307757132        6.8053348531
H         6.4278444635        6.8081705902        5.3229801973
H         6.2893734339        5.3370607526        7.3757351166
H         4.7758816086        5.3310078428        6.4827240081
H         4.3280706766        5.6249139211        8.9214849466
H         5.3866541361        7.0343529443        8.9640897592
H         2.9934286961        7.7116553466        8.8254991268
H         2.7908078986        6.7545548176        7.3587820244
H         4.2747795094       11.2848414158        6.3244396351
H         2.6749041048       11.9774643992        6.0666918481
H         4.3785158439       10.4015711272        4.0666796836
H         3.5833317141       11.9556163163        3.8235598352
H         1.8949272976        9.0347726045        1.3928092028
H         4.3812538001       10.8032130846        1.5673116514
H         2.8459015260       11.2886581782        0.8559252793
H         4.4568248240       10.4870200623       -0.8860718781
H         2.9869205585        9.5055647646       -0.8393738864
H         5.7256415728        8.7541167917        0.3115019098
H         4.9094927706        7.9987138570       -1.0498567075
H         4.7160027240        6.6420268707        1.0787288130
H         3.1441967365        7.0970973933        0.4302944644
H         4.6116172432        8.5288145100        2.7132865200
H         3.2116156707        7.4791653874        2.8966549642
H         1.5693972178       12.2326648732        2.6267007391
H        -0.6774737670       10.1844797906        2.2444926130
H         0.4599737477       10.7318525632        1.0150952127
H        -1.7428755536       11.8702063698        0.7941489349
H        -0.4639761073       13.0356592831        1.1326614104
H        -2.4236010793       11.8850970123        3.1973824830
H        -2.4698757710       13.5117670034        2.5379460456
H        -1.3413473445       13.4481939240        4.8045075780
H        -0.2403775230       14.0132154210        3.5479637882
H         0.8809019691       12.3566301211        5.0097516715
H        -0.3928418812       11.1738217928        4.7247553254
H        -0.6211582292        9.3882039546        6.9295597184
H         0.0302166428        6.3925562083        6.6071810110
H         0.8461755388        7.6046769525        7.6888045584
H        -2.1774798150        8.9527927685        4.9533868724
H        -2.0900211404        7.2062466568        5.2879968083
H        -2.7686764793        8.3120466461        6.4781010146
C         9.2921556101        2.2061151272       11.7523041766
C        10.5302815886        1.3355593358       12.0473843451
C        11.3387451314        1.0955426102       10.7614435888
C        10.4702703636        0.4362421623        9.6803013705
C         9.2087415273        1.2661317697        9.3986938951
C         8.3998106678        1.5589124974       10.6775827473
C         6.9651320228        3.7302414014       12.7741574932
C         6.1360373478        4.2117617238       13.9827306312
C         5.0034796488        5.1613952458       13.5589240357
C         5.5433640827        6.3480999555       12.7573791173
C         6.3110476621        5.8565192066       11.5274769263
C         7.4545288518        4.9129435286       11.9205447845
C         7.6424034420        1.1239018945       13.9808748873
C         7.4398391781        1.2102650067       15.5024308932
C         8.2209788251        2.9118932315       17.8414205911
C         7.4560233449        1.9386784167       18.7553959124
C         7.0872637851        2.6177793690       20.0882276830
C         6.3053155979        3.9223085754       19.8794875845
C         7.0370715717        4.8719611574       18.9214100874
C         7.3842976535        4.1832819645       17.5904113975
C        10.0942970316        0.8889428678       16.8339408156
C        11.3973882892        1.6164288921       17.2203324808
C        12.4435208546        0.6400609315       17.7714131435
C        12.7329572587       -0.4774978283       16.7627195735
C        11.4435526699       -1.1977754208       16.3477959184
C        10.3874878988       -0.2167651280       15.8018001396
Rh        9.7024691772        3.6927036103       14.8167977326
P         8.8485896181        2.1466393890       16.2678015043
P         8.4094542670        2.6884175398       13.3124600170
C        11.0294990527        4.7552031404       13.3364278805
C        10.5532798128        5.6004571682       14.3338983758
C        11.0641983597        5.4870399226       15.7362749462
H         9.6557994132        3.1690137356       11.3606815219
H        10.2130318178        0.3630466523       12.4542887901
H        11.1517689548        1.8144623194       12.8189646576
H        11.7270836456        2.0572104615       10.3926145817
H        12.2164587101        0.4729219110       10.9865145809
H        11.0478963685        0.3040121177        8.7532488448
H        10.1816566364       -0.5721954291       10.0112966653
H         8.5620954551        0.7411958010        8.6795240289
H         9.4997449082        2.2184534614        8.9292520353
H         7.5469539526        2.2067037579       10.4334039907
H         7.9831907339        0.6216912997       11.0642544404
H         6.3350864563        3.0741249336       12.1497005123
H         5.7123768170        3.3539613379       14.5233596060
H         6.8095755727        4.7287121810       14.6839098514
H         4.2702660035        4.6149986922       12.9506738087
H         4.4681955477        5.5028520592       14.4580154264
H         4.7264871684        7.0152975646       12.4504821704
H         6.2083266206        6.9496486720       13.3928470659
H         6.7187899559        6.7031189835       10.9564147723
H         5.6202128135        5.3291209577       10.8537672249
H         7.9530180854        4.5445121920       11.0167262908
H         8.2090614329        5.4767063338       12.4900125035
H         6.6995405988        0.9171472667       13.4545504245
H         8.3350911138        0.3081233098       13.7325770693
H         6.5251593560        1.7681101958       15.7453160825
H         7.3392645481        0.2143559020       15.9572004742
H         9.1489863770        3.2177531446       18.3552805925
H         6.5371240931        1.6131201833       18.2487816390
H         8.0430949703        1.0330951120       18.9520578866
H         6.5029750247        1.9149308157       20.7003559053
H         8.0116824846        2.8370898274       20.6451224329
H         5.3093587914        3.6922538866       19.4762430758
H         6.1390820224        4.4186671784       20.8473288168
H         6.4276606811        5.7657952030       18.7293761859
H         7.9665710466        5.2278787765       19.3900557161
H         6.4558396568        3.9131113967       17.0645750314
H         7.9263854818        4.8744811576       16.9270759292
H         9.6685675785        0.4142959588       17.7338802596
H        11.7939275602        2.1148936323       16.3201605703
H        11.1989884710        2.4047638248       17.9549012399
H        13.3624064173        1.1870652962       18.0231674213
H        12.0784733200        0.2042477784       18.7137251248
H        13.2203357328       -0.0500847073       15.8739569362
H        13.4489854608       -1.1908980504       17.1944535620
H        11.6522684462       -1.9659520956       15.5895575012
H        11.0257662593       -1.7307092244       17.2144559808
H         9.4702860721       -0.7677391071       15.5481557329
H        10.7555847558        0.2445494020       14.8722048674
H         9.8291164647        6.3830769897       14.1067490370
H        10.6878867460        4.8882129903       12.3130851615
H        11.9557269706        4.1934110039       13.4579771163
H        10.7740200571        6.3321816951       16.3681133157
H        12.1436081516        5.3029770335       15.8035674648
H        10.5888278589        4.5879906641       16.3053729770
C         7.3459380509        2.9379968064        5.1926734853
C         6.8615068926        2.5924203658        6.4684088018
C         5.4925396907        2.4470354971        6.7265998502
C         4.5489372670        2.6384491255        5.7217608184
C         5.0118680737        2.9938409366        4.4553423262
C         6.3774950704        3.1363260977        4.1931415977
C         5.0500174548        2.0709969738        8.1054358641
C         4.0284057864        3.2650280006        3.3645994146
C         9.3671897803        3.9304312114        3.6339512530
C         8.7588400793        5.1823421448        3.4402408442
C         9.1914728020        6.0717697629        2.4441949575
C        10.2495893774        5.7369812091        1.5985499252
C        10.8829943522        4.5032955758        1.7906907452
C        10.4598949510        3.6320032931        2.7967065904
C         8.5286218487        7.4168641043        2.3367408329
C        12.0675025521        4.1482884632        0.9401490663
C         9.1545116374        1.3406956504        4.4279977896
C         8.9330372415        0.8818753406        3.1161455000
C         8.9743252134       -0.4778215026        2.7846417544
C         9.2239568606       -1.4421017817        3.7658457060
C         9.4383621946       -1.0057537857        5.0788037274
C         9.4079517183        0.3556386819        5.3987548027
C         8.8208743752       -0.8709340764        1.3399076469
C         9.7961626727       -1.9928327719        6.1518184444
C         9.8666099670        3.3926476568        6.0957139735
C        11.1557676960        2.8931851707        6.3432522847
C        11.9604784596        3.3988268686        7.3771986438
C        11.5040382201        4.4216873331        8.2025594762
C        10.2318362912        4.9468070914        7.9540465908
C         9.4367714734        4.4514157200        6.9214632732
C        13.3552602038        2.8736539252        7.5447176964
C         9.7619985164        6.0640834029        8.8286037699
B         8.9425332930        2.9095349854        4.8386205495
H         7.5672295722        2.4255995682        7.2815799505
H         3.4883557712        2.5398647484        5.9249844504
H         6.6903614409        3.4049182532        3.1844250931
H         7.9214261885        5.4749853091        4.0734244470
H        10.5713944671        6.4175573802        0.8171470309
H        10.9862562934        2.6880026133        2.9242858724
H         8.7190620752        1.6010366288        2.3267458446
H         9.2677911847       -2.4971904907        3.5151016938
H         9.5747073603        0.6512595923        6.4340806661
H        11.5512806848        2.0949007081        5.7153889031
H        12.1241076050        4.8075756335        9.0060254889
H         8.4567949296        4.8950054309        6.7557343281
F         9.8770191470        5.7337596415       10.1609306507
F        10.5106125263        7.2000805342        8.6807748403
F         8.4654083934        6.4129787595        8.6083541991
F        14.0923447844        3.1227029425        6.4030956401
F        14.0172959010        3.4260917693        8.6025187662
F        13.4049215908        1.5178201902        7.7238343890
F         9.1867415840       -1.7369564655        7.3548807022
F        11.1520032767       -1.9955096574        6.4032522365
F         9.4647009810       -3.2719370626        5.8115161407
F         8.6362610680       -2.2194382879        1.1759307994
F         9.9262648418       -0.5153546234        0.5907853256
F         7.7602058840       -0.2350790021        0.7378842115
F        12.3635257486        2.8184770869        0.9570893879
F        13.1989314218        4.8102584518        1.3279101602
F        11.8923754866        4.4947759226       -0.3795046127
F         8.8155883305        8.0798745878        1.1794612716
F         8.9039970295        8.2431287061        3.3801729115
F         7.1654700503        7.3377837027        2.4262713234
F         4.0862525599        2.3539899351        2.3455758284
F         4.2463291061        4.4924701611        2.7922359917
F         2.7429527859        3.2497158542        3.8232703114
F         5.4641341459        2.9847825741        9.0494629790
F         3.6936948321        1.9414745529        8.2394480063
F         5.5924125379        0.8617464332        8.4679613452
C         3.6677253994        9.3735817254       14.6826647337
C         4.1486806019        9.7479160667       13.4139659872
C         5.5164155179        9.8612534466       13.1405396184
C         6.4675660741        9.5870245487       14.1220996298
C         6.0087263079        9.1962700277       15.3792887278
C         4.6410421741        9.1062267907       15.6591592809
C         5.9457642274       10.2584275629       11.7617889393
C         6.9791920081        8.8689812280       16.4685202584
C         1.6282828536        8.4149087501       16.2392824184
C         2.2346241847        7.1610180082       16.4329809613
C         1.7919324818        6.2622722053       17.4155969851
C         0.7153758414        6.5872503568       18.2420363254
C         0.0763205682        7.8193513503       18.0429585277
C         0.5178601016        8.7049502289       17.0578847125
C         2.4587811571        4.9166168092       17.5241128068
C        -1.1301584679        8.1388284677       18.8778096837
C         1.8692628800       11.0049128682       15.4349983733
C         2.0724166362       11.4646963296       16.7480705323
C         2.0179992648       12.8235954413       17.0785175266
C         1.7663934722       13.7891866372       16.0972234333
C         1.5753456370       13.3530831760       14.7812576175
C         1.6254747489       11.9903982930       14.4619201515
C         2.1697725489       13.2095666350       18.5242818921
C         1.1852293646       14.3215217500       13.6987579398
C         1.1454709280        8.9498543435       13.7831472899
C        -0.1478221337        9.4452066683       13.5500841828
C        -0.9603899506        8.9320668654       12.5264715767
C        -0.5086293453        7.9116269786       11.6957254785
C         0.7701113396        7.3956813425       11.9276335747
C         1.5735781679        7.8953715351       12.9515322520
C        -2.3442081314        9.4781684813       12.3487213443
C         1.2316779950        6.2727779894       11.0564725412
B         2.0729608499        9.4324991880       15.0373240712
H         3.4377917010        9.9611706921       12.6176584437
H         7.5279370791        9.6565869544       13.9082810606
H         4.3334318576        8.8241684951       16.6655689601
H         3.0791400574        6.8730016356       15.8075407773
H         0.3815825242        5.8992588488       19.0128965931
H        -0.0099378844        9.6488351136       16.9301486802
H         2.2806220243       10.7468679482       17.5398901544
H         1.7037560913       14.8431326230       16.3496594131
H         1.4680440962       11.6932069075       13.4257722917
H        -0.5383386133       10.2470269142       14.1773715593
H        -1.1340916565        7.5262890495       10.8962088739
H         2.5585938984        7.4585355317       13.1050161739
F         1.1085275900        6.5930233076        9.7175400254
F         0.4807901022        5.1366430032       11.2528934706
F         2.5275103494        5.9210211683       11.2565971269
F        -3.1096010840        9.2809013248       13.4764543971
F        -3.0285788127        8.9056448303       11.3227369266
F        -2.3465450856       10.8286465094       12.1361583630
F         1.8056312205       14.0683967733       12.5037891384
F        -0.1670855580       14.2612642730       13.4588800124
F         1.4563461428       15.6210494250       13.9894192910
F         2.3539135308       14.5572612674       18.6894001223
F         1.0651354991       12.8497545447       19.2721808991
F         3.2297651700       12.5706171619       19.1253778957
F        -1.4334223460        9.4597243753       18.9716726102
F        -2.2670043453        7.5276417613       18.3933603348
F        -0.9646813446        7.6973018842       20.1659222205
F         2.1739025388        4.2545915158       18.6833623857
F         2.0834490734        4.0906370384       16.4807520956
F         3.8220146255        4.9966170558       17.4370494405
F         6.8663062478        9.7585462215       17.5118070450
F         6.7654125240        7.6261384346       16.9990350968
F         8.2759306097        8.8716816093       16.0405071688
F         5.5269746551        9.3487349561       10.8146196018
F         7.2992517119       10.3931653413       11.6238228491
F         5.3980162403       11.4679901679       11.3996260027
H         0.7650274859        7.7784788065        2.3218597243
C         0.1058780920        7.7046706388        3.1804090314
H        -0.8599615443        8.1950716830        3.0808684292
C         0.2691847876        6.6745132688        4.0909638853
H        -0.5996888215        6.3807825558        4.6714999885
H         0.9100307365        4.6712338893        3.8482035548
H         1.8546966330        5.5555186514        5.0398554974
C         1.3556219611        5.6514533618        4.0648423177
H         2.1120525031        5.8485815972        3.2995886819
319
SCF Energy = -2189.6509355201 (a.u.)
Lowest Frequencies = 24.947895  31.656403  33.473998 (cm^-1)
II (eta1) / [1-(propene)][BArF4]
C         1.7501322483       10.2598853097        8.0457959396
C         0.6115380448       11.2718355066        7.8017114350
C        -0.1649689333       11.5257510231        9.1056163033
C         0.7564769623       12.0286846070       10.2214404725
C         1.9202495486       11.0556404147       10.4513296882
C         2.7015582518       10.7547159493        9.1570489849
C         4.0244648596        8.6418467572        6.9920201248
C         4.7447520496        8.0761232059        5.7485868908
C         5.8517217789        7.0785906189        6.1271483946
C         5.3089129314        5.9615948811        7.0215752321
C         4.6758178670        6.5462850008        8.2870715340
C         3.5435818996        7.5186192234        7.9285012368
C         3.3961144993       11.2739938455        5.7600107245
C         3.6283017278       11.1720628911        4.2373955636
C         2.8698958256        9.4711204869        1.8720340470
C         3.6681364955       10.4022534097        0.9506130809
C         4.0454333909        9.6894090482       -0.3596191155
C         4.7897630430        8.3705201228       -0.1075188194
C         4.0154196174        7.4577727782        0.8534591301
C         3.6621190265        8.1808949530        2.1648019542
C         1.0294578196       11.5615677250        2.8214106717
C        -0.2227209494       10.8446977388        2.2751550100
C        -1.3021647964       11.8325156716        1.8133643524
C        -1.6788132671       12.8017817441        2.9389728185
C        -0.4395322748       13.5485566695        3.4458374393
C         0.6527538467       12.5733569159        3.9231991156
Rh        1.3233727174        8.7978862718        4.9924529275
P         2.2255170170       10.2681161191        3.4168687031
P         2.6178358913        9.7504772067        6.4986162184
C         0.2101334183        7.4517531783        6.1691093374
C        -0.9668867893        8.1058318180        6.7593479226
C        -1.1509452783        8.3485687339        8.0713706939
H         1.2762048838        9.3194216540        8.3735307608
H         1.0193392659       12.2242966450        7.4321138067
H        -0.0769380359       10.8867685219        7.0352058193
H        -0.6469114946       10.5897084145        9.4204956204
H        -0.9737300089       12.2443196790        8.9166677222
H         0.1837305756       12.1589264702       11.1516578482
H         1.1491859630       13.0207991748        9.9586106324
H         2.6188058767       11.4706299359       11.1930025236
H         1.5323920999       10.1132463604       10.8682421747
H         3.4848758336       10.0156636076        9.3678728437
H         3.2099034585       11.6652742499        8.8217381585
H         4.7263493131        9.2943515877        7.5406579520
H         5.1690277762        8.8896234920        5.1445953470
H         4.0080579045        7.5601628073        5.1094032543
H         6.6615062366        7.6077687371        6.6490811140
H         6.2884032161        6.6682279793        5.2042459360
H         6.1042686676        5.2533210021        7.2846465898
H         4.5547658398        5.3837174478        6.4688174967
H         4.2747637867        5.7476987597        8.9280704546
H         5.4434671166        7.0658098773        8.8795454916
H         3.1077691685        7.9411546821        8.8410668633
H         2.7389788568        6.9577478100        7.4322923099
H         4.3318165414       11.4888862053        6.2973658829
H         2.7050186781       12.0983535502        5.9836541852
H         4.5442950274       10.6064098780        4.0192288221
H         3.7616843578       12.1717997276        3.7996539462
H         1.9434521955        9.1722771065        1.3509000667
H         4.5815609372       10.7213961520        1.4681225980
H         3.0994697753       11.3127278156        0.7302633374
H         4.6582129000       10.3642224518       -0.9752286747
H         3.1267589465        9.4801104419       -0.9301327366
H         5.7837878520        8.5834130334        0.3098271611
H         4.9610794093        7.8477585424       -1.0600472562
H         4.5956243365        6.5508940886        1.0719851140
H         3.0843637126        7.1209929876        0.3742738282
H         4.5866664558        8.4264561081        2.7090045570
H         3.0817476879        7.5077564130        2.8171584263
H         1.5143821950       12.1121595722        1.9992028861
H        -0.6393703114       10.2028837843        3.0710216401
H         0.0480449967       10.1775121023        1.4488172740
H        -2.1817804075       11.2759980834        1.4625377189
H        -0.9298938183       12.4015675118        0.9475125533
H        -2.1435336326       12.2453447739        3.7667883309
H        -2.4379535539       13.5113791976        2.5819667970
H        -0.6989412757       14.2314313801        4.2684907951
H        -0.0385182594       14.1785897348        2.6393775495
H         1.5402872758       13.1389268253        4.2425911723
H         0.2850517422       12.0310451786        4.8090141610
H        -1.7197528897        8.4775848613        6.0614531654
H        -0.0542060761        6.8329371996        5.2807400783
H         0.7633463581        6.8281643171        6.8817585196
H        -2.0049875905        8.9135291137        8.4316936311
H        -0.4506953195        7.9800311382        8.8163991935
H         0.3635158940        9.9158564771        5.3444292405
C         9.2010434446        2.2003998246       11.8436934703
C        10.4389289331        1.3194375732       12.1119386620
C        11.2284815290        1.0877809626       10.8131395650
C        10.3421668089        0.4382736413        9.7411239435
C         9.0783411370        1.2728348414        9.4832699613
C         8.2891472786        1.5738050394       10.7739841905
C         6.8832180357        3.7005803072       12.9564355288
C         6.0726426153        4.1536541804       14.1865296407
C         4.9442612111        5.1252276833       13.8016479737
C         5.4795261044        6.3272666290       13.0216570131
C         6.2155770992        5.8585539436       11.7646788937
C         7.3585038453        4.9026727146       12.1272112232
C         7.6200183375        1.0920041789       14.1138841776
C         7.4450454716        1.1867278418       15.6381595041
C         8.2422327657        2.9218122527       17.9423061654
C         7.4707790467        1.9542664550       18.8557344901
C         7.0871761303        2.6377139948       20.1811577670
C         6.3096180140        3.9422559520       19.9583994518
C         7.0615877481        4.8873433277       19.0119983224
C         7.4142513602        4.1965906002       17.6848809158
C        10.1049352385        0.8864643585       16.9402983949
C        11.3992036939        1.6117569821       17.3579563181
C        12.4451782183        0.6261035932       17.8925884206
C        12.7503135774       -0.4631913331       16.8578009059
C        11.4703715054       -1.1834738612       16.4168261737
C        10.4123794002       -0.1965410922       15.8877389554
Rh        9.6963152126        3.6672991271       14.8936730104
P         8.8591444971        2.1412707767       16.3729757599
P         8.3534946389        2.6641670291       13.4308201541
C        10.9944082891        4.7153374851       13.3676960930
C        10.5574053769        5.5636333127       14.3798866209
C        11.1077751075        5.4436062052       15.7663658755
H         9.5645037324        3.1664098924       11.4604744718
H        10.1222039487        0.3445033502       12.5134481154
H        11.0732869566        1.7870995897       12.8799757646
H        11.6138917180        2.0510251016       10.4458390194
H        12.1081216425        0.4612085424       11.0199006049
H        10.9064279627        0.3122184652        8.8049478860
H        10.0577578382       -0.5720054911       10.0693758413
H         8.4177815453        0.7485735098        8.7764027482
H         9.3638284407        2.2224304135        9.0062065021
H         7.4468711708        2.2390982409       10.5404411561
H         7.8599066133        0.6438399885       11.1617427835
H         6.2480022843        3.0555020753       12.3256300777
H         5.6465443036        3.2867558230       14.7105129821
H         6.7583088240        4.6490848691       14.8905963625
H         4.1985918180        4.6036580995       13.1884635736
H         4.4260293176        5.4453660903       14.7175713415
H         4.6637135954        7.0108433738       12.7512347177
H         6.1651449740        6.9050932825       13.6568854392
H         6.6187033498        6.7136827222       11.2037999903
H         5.5095765652        5.3507488946       11.0904477063
H         7.8465939374        4.5470648301       11.2174886020
H         8.1177709324        5.4539959574       12.7024723057
H         6.6694600933        0.8736104302       13.6063101830
H         8.3168397803        0.2827282031       13.8569004473
H         6.5290098590        1.7362613236       15.8936305869
H         7.3643505986        0.1933655392       16.1022293488
H         9.1715479604        3.2240840645       18.4556788741
H         6.5569356567        1.6233296932       18.3437753441
H         8.0591843142        1.0520283959       19.0606990125
H         6.4947378823        1.9370851136       20.7880269183
H         8.0041201187        2.8588204933       20.7492130991
H         5.3201460154        3.7132242734       19.5379560673
H         6.1283354774        4.4405266158       20.9221144943
H         6.4652858404        5.7885425542       18.8147557009
H         7.9894144017        5.2313037512       19.4920820170
H         6.4871267742        3.9301856201       17.1554206731
H         7.9639690768        4.8837526702       17.0236284512
H         9.6694303240        0.3930558359       17.8253289262
H        11.8031781024        2.1347412994       16.4752498468
H        11.1905620835        2.3808756529       18.1110310099
H        13.3578147022        1.1717722123       18.1675220654
H        12.0722297778        0.1629400881       18.8190673334
H        13.2383464338       -0.0094402665       15.9828031247
H        13.4702705960       -1.1807985221       17.2749745102
H        11.6905098851       -1.9314868363       15.6412840044
H        11.0510164424       -1.7404149302       17.2671511112
H         9.4995128907       -0.7470691547       15.6182815609
H        10.7810902639        0.2872099629       14.9696871581
H         9.8351273104        6.3540867583       14.1746785188
H        10.6195756355        4.8526007645       12.3562963125
H        11.9174689021        4.1426626033       13.4594534348
H        10.8491252448        6.2942501822       16.4041778953
H        12.1854580868        5.2424266983       15.8022049217
H        10.6343552180        4.5540332204       16.3523685731
C         7.3036524579        2.8897547178        5.1617262618
C         6.8232317766        2.5140079014        6.4300221005
C         5.4569545410        2.4458090330        6.7160166968
C         4.5028167417        2.7360364957        5.7405406236
C         4.9659063850        3.0986859442        4.4763236680
C         6.3331280427        3.1681494366        4.1894786940
C         5.0391341749        2.0727267533        8.1025904009
C         4.0039741579        3.4559517451        3.3926816085
C         9.3544833306        3.8870977866        3.6414624351
C         8.7541356049        5.1443887364        3.4596010972
C         9.2138102492        6.0508712396        2.4949462015
C        10.2966186042        5.7392100414        1.6762847634
C        10.9212875448        4.5027395789        1.8571172464
C        10.4666634072        3.6029676245        2.8249641134
C         8.5400685845        7.3813832073        2.3580339691
C        12.1145203547        4.1796506537        1.0131535219
C         9.1511229557        1.2998780657        4.4484240801
C         8.9274793822        0.8448310579        3.1360213301
C         8.9936976071       -0.5090320685        2.7938799641
C         9.2759598872       -1.4795542958        3.7666691540
C         9.4881978488       -1.0506449898        5.0829815199
C         9.4306696039        0.3129124030        5.4098375451
C         8.8262001415       -0.8802432871        1.3438897687
C         9.8639120795       -2.0151041435        6.1804449126
C         9.7520084783        3.3935076918        6.1184217612
C        11.0497576154        2.9530534962        6.4045322979
C        11.7768808538        3.4662753909        7.4849286464
C        11.2283915061        4.4218187631        8.3482014240
C         9.9334553767        4.8750036358        8.0745171767
C         9.2357355861        4.3914335608        6.9619149399
C        13.1775011871        2.9658206944        7.6524574844
C         9.1841716841        5.8054075804        8.9916611386
B         8.9011332982        2.8682235358        4.8342644441
H         7.5326764130        2.2797286383        7.2226012998
H         3.4407509940        2.7052252760        5.9643059028
H         6.6416881564        3.4552431875        3.1848825499
H         7.9025853330        5.4269521915        4.0773464322
H        10.6360076235        6.4344305853        0.9159560115
H        10.9849015167        2.6528886930        2.9390594768
H         8.6901831602        1.5657439313        2.3549573695
H         9.3421463165       -2.5313512218        3.5063999497
H         9.6004309599        0.6072640844        6.4452823366
H        11.5125405831        2.1914642118        5.7766755293
H        11.7876235020        4.7838727424        9.2058707189
H         8.2356186035        4.7748988884        6.7726407565
F         9.6597912826        5.8018167193       10.2887793781
F         9.1632208138        7.1151823644        8.6056688920
F         7.8695673128        5.4084716221        9.0531677415
F        13.9378768121        3.2708408789        6.5445079785
F        13.7965810034        3.4876918696        8.7499185067
F        13.2538418831        1.5943915108        7.7322700044
F         9.1903111703       -1.7407025065        7.3520269693
F        11.2097866667       -1.9314707530        6.4754075606
F         9.6160195060       -3.3297929527        5.8840611299
F         8.6369848356       -2.2258440831        1.1739102440
F         9.9261950816       -0.5162059893        0.5908588814
F         7.7635599126       -0.2377499668        0.7428643963
F        12.3664245581        2.8356759761        0.9538926610
F        13.2545716172        4.7986123985        1.4707169835
F        11.9530970508        4.6270880247       -0.2901108557
F         8.8236388221        8.0114275501        1.1805890772
F         8.9024957673        8.2414229848        3.3798507552
F         7.1762630454        7.2706048676        2.4292135537
F         4.0584373034        2.5726182137        2.3455292674
F         4.2876961035        4.6980951104        2.8684116677
F         2.7121145382        3.4717967323        3.8244080836
F         5.4624161229        2.9840735555        9.0462783810
F         3.6868519826        1.9407711042        8.2416235219
F         5.5914406987        0.8649101989        8.4656415805
C         3.6917019467        9.3932627490       14.7009951132
C         4.1672493735        9.7615532617       13.4289806446
C         5.5333191261        9.8710889605       13.1485222768
C         6.4926724343        9.6106477023       14.1280128304
C         6.0468897336        9.2284382062       15.3935260887
C         4.6751946722        9.1327715702       15.6753780996
C         5.9505430458       10.2593667632       11.7637174999
C         7.0375823104        8.8782664180       16.4692627986
C         1.6383521025        8.4230231492       16.2394161954
C         2.2480278873        7.1707490829       16.4374707158
C         1.7973511011        6.2688383687       17.4143003408
C         0.7157329738        6.5881161867       18.2331231562
C         0.0764595621        7.8168878758       18.0312207747
C         0.5209076716        8.7062897115       17.0500883742
C         2.4464383172        4.9172461631       17.5228652366
C        -1.1311945921        8.1351980773       18.8600666163
C         1.8550980231       11.0143613941       15.4238784068
C         2.0562323118       11.4825761944       16.7324834450
C         1.9721935335       12.8405418312       17.0590405866
C         1.6880797306       13.7977982720       16.0800770640
C         1.4982750838       13.3532381272       14.7661734510
C         1.5832173987       11.9916788682       14.4492813305
C         2.1542501028       13.2192992517       18.5006726706
C         1.1247966799       14.3189183424       13.6750679220
C         1.1537507031        8.9573889392       13.7808178783
C        -0.1379620282        9.4520325626       13.5244854474
C        -0.9536175444        8.9115774026       12.5130150093
C        -0.5082382388        7.8545867797       11.7263255135
C         0.7755183567        7.3542259254       11.9680778637
C         1.5814931109        7.8873000303       12.9718311020
C        -2.3416079259        9.4534632722       12.3241699009
C         1.2670560232        6.2391984653       11.1045585806
B         2.0848934554        9.4441371145       15.0384056683
H         3.4529431708        9.9683692748       12.6330319915
H         7.5514711423        9.6775960724       13.9040940331
H         4.3709799418        8.8437954515       16.6807309612
H         3.0986060372        6.8868036090       15.8187636194
H         0.3776015361        5.8980066359       18.9994258701
H        -0.0109167643        9.6471009073       16.9184279491
H         2.2914397412       10.7720421928       17.5234804207
H         1.6081031291       14.8510001828       16.3306996425
H         1.4362276340       11.6898200492       13.4128354919
H        -0.5295632086       10.2723643009       14.1264666733
H        -1.1449413501        7.4302200552       10.9549382705
H         2.5676303695        7.4570088416       13.1330632806
F         1.2551665250        6.5974814272        9.7762245986
F         0.4743820020        5.1265860934       11.1854756141
F         2.5333198545        5.8454514737       11.4027065769
F        -3.0995626861        9.2138381774       13.4594276924
F        -3.0196749330        8.9104628364       11.2664878104
F        -2.3469252133       10.8116984326       12.1401977184
F         1.8006626962       14.0697496615       12.5057140536
F        -0.2232439991       14.2619696635       13.3865094292
F         1.3829685893       15.6159806336       13.9859015262
F         2.3524065273       14.5602242422       18.6872138663
F         1.0669540503       12.8500368520       19.2730122074
F         3.2319575631       12.5702118492       19.0552257216
F        -1.4326706589        9.4584130458       18.9093294140
F        -2.2694647959        7.5232883194       18.3922400559
F        -0.9645685489        7.7031948173       20.1596874421
F         2.1729995894        4.2552542358       18.6838016647
F         2.0213704694        4.0947373733       16.4864620054
F         3.8131390955        4.9920358367       17.4324911904
F         7.0005940912        9.7615741491       17.5167351317
F         6.7715292827        7.6357281199       16.9953864558
F         8.3369002282        8.8639096797       16.0364480018
F         5.5269753069        9.3491448914       10.8165444484
F         7.3016250986       10.3935055021       11.6225897674
F         5.3981806451       11.4669664695       11.3998028446
310
SCF Energy = -2189.6386555245 (a.u.)
Lowest Frequencies = i655.819341  26.195520  28.379642 (cm^-1)
TS(Ieta1-VI) / [1-(propene)][BArF4]
C         1.7814649540       10.3023158337        7.9786921812
C         0.6385017776       11.3128925494        7.7541547122
C        -0.1459680103       11.5349854956        9.0593581839
C         0.7671694850       12.0124112690       10.1927893985
C         1.9317179985       11.0361164009       10.4057532779
C         2.7233307086       10.7681423137        9.1096462106
C         4.0275549928        8.6690847307        6.9429059207
C         4.7986425819        8.1101270312        5.7287219648
C         5.8841999379        7.1048314711        6.1489413665
C         5.2979404248        5.9807382186        7.0070853760
C         4.6064853277        6.5566622073        8.2460873275
C         3.4956675701        7.5373952037        7.8428016152
C         3.4834946870       11.3291521662        5.7255037826
C         3.7020369759       11.2173352532        4.2053241825
C         2.9012160155        9.4550328048        1.8877548034
C         3.6688753666       10.3932019335        0.9456095953
C         4.0269705594        9.6798131071       -0.3695888622
C         4.7865239892        8.3674795081       -0.1297630295
C         4.0365525176        7.4506407452        0.8461422508
C         3.7085417331        8.1714422948        2.1647978574
C         1.0516199974       11.5207712737        2.8612228680
C        -0.1977355512       10.7788145666        2.3420215934
C        -1.2874334747       11.7514104663        1.8688256862
C        -1.6674344844       12.7374932883        2.9792045222
C        -0.4315161437       13.4956297949        3.4785370909
C         0.6697289027       12.5323609223        3.9604045115
Rh        1.3328115799        8.8509648353        4.9600519198
P         2.2999503663       10.2667637893        3.4416840831
P         2.6540550835        9.8123865671        6.4206017413
C        -0.0688677073        7.6148939471        6.0807424543
C        -1.1886100906        8.0672424607        6.9484643975
C        -1.0974315067        8.2681512935        8.2712737524
H         1.3129633969        9.3542340494        8.2883052612
H         1.0447706858       12.2742046357        7.4062166314
H        -0.0421193263       10.9485017772        6.9707115540
H        -0.6293653485       10.5913724787        9.3479887213
H        -0.9555906236       12.2554979270        8.8829020253
H         0.1890506159       12.1186549125       11.1228469444
H         1.1593426568       13.0113620322        9.9565308911
H         2.6243941544       11.4335353892       11.1624242906
H         1.5429921466       10.0831186120       10.7974273119
H         3.5032969042       10.0224648291        9.3092769394
H         3.2357655041       11.6854494597        8.8023515744
H         4.7117403849        9.3035411077        7.5337644759
H         5.2536257733        8.9266366270        5.1510210324
H         4.0849733956        7.6063814625        5.0580159592
H         6.6730471914        7.6232898733        6.7117653151
H         6.3598914841        6.7004063334        5.2426844475
H         6.0789901917        5.2688835135        7.3023981997
H         4.5697587285        5.4090869370        6.4146582127
H         4.1753054660        5.7548285924        8.8631703831
H         5.3466441786        7.0711850098        8.8773243194
H         3.0205086982        7.9505706519        8.7397306511
H         2.7136318868        6.9839545343        7.3012958584
H         4.4258986112       11.5062471886        6.2643970361
H         2.8168162959       12.1707296185        5.9577444561
H         4.6230423991       10.6623846929        3.9807392182
H         3.8036789940       12.2094720540        3.7427490149
H         1.9634861047        9.1510237838        1.3907699247
H         4.5894394148       10.7240450136        1.4422157495
H         3.0855260845       11.2965182342        0.7332768056
H         4.6230710350       10.3596119185       -0.9961730922
H         3.0999705157        9.4628534974       -0.9232268951
H         5.7862598499        8.5886936102        0.2694797975
H         4.9445778427        7.8456767631       -1.0850567364
H         4.6248646178        6.5461192054        1.0521783963
H         3.0972425186        7.1095892978        0.3861443808
H         4.6431444769        8.4249486087        2.6874718230
H         3.1476890738        7.4982518940        2.8329010584
H         1.5170486136       12.0705295273        2.0264045714
H        -0.5999154432       10.1550978005        3.1599591599
H         0.0682921779       10.0960676126        1.5269823381
H        -2.1647479060       11.1828158212        1.5307081802
H        -0.9224770311       12.3073352158        0.9911206495
H        -2.1315226429       12.1917200579        3.8141611289
H        -2.4280623560       13.4400883567        2.6104226794
H        -0.6952882617       14.1806761663        4.2981863526
H        -0.0373923701       14.1252764264        2.6681538815
H         1.5514260081       13.1101597800        4.2736579331
H         0.3135554660       11.9814865998        4.8441381947
H        -2.1194706294        8.3201497873        6.4388969646
H        -0.4262733296        7.0712752268        5.1861897459
H         0.6602427140        6.9999726614        6.6268585161
H        -1.9250616391        8.6753425606        8.8418638713
H        -0.1911932384        8.0331817712        8.8190554143
H         0.1052913503        9.2370798770        5.8245360310
C         9.2035218807        2.2054669453       11.8432769261
C        10.4438100182        1.3282036423       12.1127272346
C        11.2353212632        1.0984847508       10.8147068892
C        10.3518464158        0.4465611279        9.7416722814
C         9.0859747974        1.2776694703        9.4825485351
C         8.2946289632        1.5761711336       10.7724942935
C         6.8809788058        3.7009340581       12.9523039691
C         6.0641655692        4.1491887846       14.1799598191
C         4.9341494694        5.1173608272       13.7910413840
C         5.4683798387        6.3230102873       13.0158516767
C         6.2111310194        5.8591840182       11.7607827069
C         7.3555700735        4.9061625270       12.1271336418
C         7.6198981880        1.0923824761       14.1089648520
C         7.4430607229        1.1837293152       15.6332379390
C         8.2345351349        2.9175910370       17.9409175135
C         7.4671758264        1.9474076889       18.8548376987
C         7.0824541316        2.6294126817       20.1806406963
C         6.3011427975        3.9318342760       19.9591069159
C         7.0483763112        4.8791599117       19.0112416926
C         7.4016805988        4.1892120387       17.6837820178
C        10.0995197577        0.8833212121       16.9402165466
C        11.3886115423        1.6081420585       17.3742195547
C        12.4346445783        0.6209556262       17.9064592100
C        12.7496216581       -0.4576775002       16.8635007122
C        11.4746506408       -1.1785178918       16.4093933922
C        10.4171067819       -0.1905837493       15.8813327875
Rh        9.6913198709        3.6689177221       14.8962041986
P         8.8547597353        2.1389218025       16.3719873665
P         8.3521371180        2.6665322701       13.4293131482
C        10.9868398057        4.7256191269       13.3741290612
C        10.5459628717        5.5693675483       14.3883849773
C        11.0956352394        5.4470261074       15.7748901691
H         9.5646361959        3.1726069835       11.4606122119
H        10.1295787208        0.3524633971       12.5142954773
H        11.0760886353        1.7979387375       12.8812297452
H        11.6184581968        2.0628452950       10.4478934500
H        12.1166669071        0.4744698776       11.0221473613
H        10.9175093885        0.3220141490        8.8062123476
H        10.0697605043       -0.5644525026       10.0696255880
H         8.4275980010        0.7518761213        8.7748488646
H         9.3693536692        2.2281373645        9.0060995590
H         7.4505440022        2.2388624888       10.5381866803
H         7.8678778343        0.6447169163       11.1596464626
H         6.2498330535        3.0554038105       12.3178615343
H         5.6386604692        3.2799885385       14.7006502361
H         6.7450066387        4.6457526008       14.8878511280
H         4.1941352279        4.5939645424       13.1726898114
H         4.4091748849        5.4332987110       14.7046002623
H         4.6512881482        7.0041169995       12.7432822281
H         6.1492532031        6.9020975033       13.6550834665
H         6.6142675304        6.7168169027       11.2036867362
H         5.5096113890        5.3509133690       11.0820490117
H         7.8490826289        4.5534214814       11.2193525449
H         8.1101849868        5.4591095548       12.7069193172
H         6.6702687400        0.8734535430       13.5998481556
H         8.3182410696        0.2846429518       13.8510820265
H         6.5256685496        1.7310318997       15.8887654532
H         7.3637165267        0.1892087872       16.0950390754
H         9.1626635969        3.2237503638       18.4540546609
H         6.5542505186        1.6131848333       18.3434426501
H         8.0589577526        1.0473459808       19.0593570701
H         6.4922973607        1.9270819321       20.7877780925
H         7.9992555459        2.8528019402       20.7480640431
H         5.3114215870        3.7001863180       19.5408063570
H         6.1203402873        4.4294069018       20.9233030240
H         6.4483441433        5.7780426359       18.8144175409
H         7.9756465845        5.2268220632       19.4898784748
H         6.4748113073        3.9192993553       17.1555925740
H         7.9481731359        4.8780657819       17.0215783984
H         9.6580048899        0.3819583298       17.8177073697
H        11.7973551778        2.1413033308       16.4998534688
H        11.1719581446        2.3688996569       18.1333421365
H        13.3437449376        1.1674103078       18.1916222787
H        12.0581871147        0.1481335896       18.8267203000
H        13.2401978875        0.0059394143       15.9951079605
H        13.4704071182       -1.1762281788       17.2776117201
H        11.7015789111       -1.9200072395       15.6294782659
H        11.0520008623       -1.7430754093       17.2529994872
H         9.5075917010       -0.7415830307       15.6017218954
H        10.7902428423        0.3014507668       14.9694937492
H         9.8211954785        6.3580710162       14.1850422621
H        10.6123712800        4.8642507759       12.3627609213
H        11.9118639692        4.1559672901       13.4650780128
H        10.8323907344        6.2942047612       16.4152682675
H        12.1742191673        5.2507419124       15.8111051440
H        10.6260048635        4.5531427522       16.3575806886
C         7.3036307261        2.8895956700        5.1615110404
C         6.8233242820        2.5145766853        6.4300640620
C         5.4569878337        2.4473056355        6.7162788981
C         4.5029381877        2.7372283907        5.7407204690
C         4.9658888470        3.0986615006        4.4760674283
C         6.3330775964        3.1675228859        4.1892003191
C         5.0391391559        2.0735403163        8.1026345866
C         4.0035627561        3.4561761560        3.3925656669
C         9.3549296187        3.8869230016        3.6412396406
C         8.7539985244        5.1439771624        3.4591787880
C         9.2138883168        6.0508028295        2.4949069559
C        10.2971921814        5.7394789109        1.6766296951
C        10.9218228612        4.5028812483        1.8573679679
C        10.4673821587        3.6027239327        2.8249295474
C         8.5397483278        7.3811610122        2.3576599589
C        12.1150769331        4.1795640817        1.0132415253
C         9.1518954669        1.3001240881        4.4482904793
C         8.9289719100        0.8450378092        3.1358362147
C         8.9951546478       -0.5088102936        2.7937987080
C         9.2773182491       -1.4791749313        3.7667538816
C         9.4886072284       -1.0501369764        5.0831124827
C         9.4310572801        0.3133576496        5.4099929669
C         8.8272936517       -0.8801549972        1.3438552669
C         9.8646512338       -2.0138845144        6.1808690171
C         9.7518691137        3.3934256307        6.1181181431
C        11.0503442622        2.9545190830        6.4033689765
C        11.7770293137        3.4666899063        7.4848221136
C        11.2277381243        4.4208787651        8.3488201900
C         9.9322486854        4.8730328081        8.0755298439
C         9.2343284333        4.3896333542        6.9630679240
C        13.1778686773        2.9658060935        7.6523991685
C         9.1827927008        5.8029820372        8.9923727283
B         8.9011365003        2.8681222751        4.8339014580
H         7.5326356782        2.2796288990        7.2225191652
H         3.4409100049        2.7064621408        5.9643863589
H         6.6415843607        3.4538614468        3.1843124661
H         7.9013355939        5.4256301958        4.0759151755
H        10.6366681202        6.4348009208        0.9164858967
H        10.9858330106        2.6525463266        2.9384584254
H         8.6920109975        1.5659922170        2.3546755501
H         9.3445127784       -2.5309061473        3.5065331878
H         9.6007783587        0.6077681161        6.4453947633
H        11.5142618428        2.1946491081        5.7742922270
H        11.7867165546        4.7842088390        9.2062085645
H         8.2331202381        4.7712301371        6.7753171006
F         9.6595264302        5.8018816836       10.2885613423
F         9.1600481697        7.1135623784        8.6049269231
F         7.8687577008        5.4080807237        9.0534069893
F        13.9380506261        3.2711147248        6.5445614227
F        13.7965639797        3.4878022598        8.7500053324
F        13.2537745353        1.5947667054        7.7321749501
F         9.1903177218       -1.7406563902        7.3520043341
F        11.2095945634       -1.9311604209        6.4754654444
F         9.6162846090       -3.3296379033        5.8840332800
F         8.6371470310       -2.2258495020        1.1739858017
F         9.9266814954       -0.5162532738        0.5908234304
F         7.7638831393       -0.2378669892        0.7430927231
F        12.3663866119        2.8355152345        0.9540783159
F        13.2546103987        4.7986462537        1.4706924740
F        11.9530843909        4.6270773883       -0.2900488611
F         8.8236529880        8.0114468132        1.1805406275
F         8.9025022333        8.2413685739        3.3799201224
F         7.1764529582        7.2705706856        2.4291225088
F         4.0583659470        2.5724887527        2.3454639395
F         4.2876238218        4.6979586569        2.8684005304
F         2.7119523934        3.4714146943        3.8242995131
F         5.4624858626        2.9843305212        9.0464905822
F         3.6869327916        1.9409148674        8.2415582632
F         5.5917439659        0.8656698496        8.4654809834
C         3.6906864535        9.3923714577       14.7009131617
C         4.1660834501        9.7608299419       13.4287923071
C         5.5322365518        9.8705851346       13.1483306256
C         6.4914228175        9.6101952419       14.1280167896
C         6.0459368573        9.2276235039       15.3935569414
C         4.6741813054        9.1314119348       15.6751272293
C         5.9499349691       10.2592207132       11.7635263283
C         7.0371054655        8.8780652560       16.4692678348
C         1.6367195078        8.4214491446       16.2384559576
C         2.2466639686        7.1694068012       16.4368072107
C         1.7965673206        6.2679427735       17.4142280407
C         0.7154035611        6.5872561560       18.2335997010
C         0.0756030264        7.8156391222       18.0308989274
C         0.5189922792        8.7043714090       17.0488012507
C         2.4462891266        4.9168330406       17.5229716379
C        -1.1314327223        8.1349720360       18.8599570965
C         1.8530595042       11.0131963321       15.4240492817
C         2.0533966484       11.4812705749       16.7328162414
C         1.9703933912       12.8393655850       17.0592790011
C         1.6863716054       13.7964432361       16.0800925601
C         1.4968937515       13.3520658609       14.7660551769
C         1.5817487367       11.9904565891       14.4491206889
C         2.1534186970       13.2187115525       18.5008215168
C         1.1242588535       14.3182093660       13.6748998519
C         1.1534518552        8.9566256341       13.7807713881
C        -0.1378433963        9.4515767903       13.5238338338
C        -0.9544974816        8.9089849386       12.5144191395
C        -0.5107541408        7.8482965141       11.7318664569
C         0.7744034313        7.3507813795       11.9712286478
C         1.5814688932        7.8861976726       12.9726253481
C        -2.3414060718        9.4530905528       12.3253924825
C         1.2670105211        6.2372803508       11.1065932802
B         2.0838083604        9.4431915472       15.0383345700
H         3.4515754729        9.9673477245       12.6328633638
H         7.5501829354        9.6776430676       13.9042460836
H         4.3696368751        8.8414689996       16.6801064416
H         3.0971307448        6.8852207365       15.8180620082
H         0.3779773538        5.8973886087       19.0004476303
H        -0.0137209047        9.6445867935       16.9165754707
H         2.2872657745       10.7703111102       17.5238528993
H         1.6059242500       14.8495722005       16.3307862712
H         1.4351977591       11.6885864792       13.4125335327
H        -0.5288464949       10.2733488566       14.1241930559
H        -1.1467501954        7.4199429864       10.9624727401
H         2.5682139285        7.4571143754       13.1331824074
F         1.2564715157        6.5963347750        9.7776529785
F         0.4742648975        5.1249818489       11.1855980214
F         2.5335282641        5.8450812692       11.4030571889
F        -3.0998596561        9.2138039617       13.4596271823
F        -3.0201293387        8.9102612075       11.2668479320
F        -2.3467098008       10.8111717265       12.1402548144
F         1.8004999592       14.0695451116       12.5056951784
F        -0.2235487225       14.2618799804       13.3864305358
F         1.3828291205       15.6152805953       13.9859441334
F         2.3521768118       14.5597603260       18.6871024309
F         1.0666285969       12.8498564457       19.2733001475
F         3.2316862820       12.5699417339       19.0552720448
F        -1.4326176030        9.4580108828       18.9093708173
F        -2.2698221843        7.5231304598       18.3923157686
F        -0.9646200893        7.7030399951       20.1596682939
F         2.1730248917        4.2550615989       18.6838788592
F         2.0213618030        4.0945663333       16.4864039209
F         3.8130356581        4.9919953128       17.4324414700
F         7.0004703604        9.7615289907       17.5166999361
F         6.7715506793        7.6356245422       16.9954471515
F         8.3366595035        8.8639088528       16.0364526005
F         5.5268694702        9.3491246206       10.8165042259
F         7.3014203447       10.3934501796       11.6226871588
F         5.3981563065       11.4670350089       11.3998122199
310
SCF Energy = -2189.6643286019 (a.u.)
Lowest Frequencies = 12.571327  25.809580  26.562909 (cm^-1)
VI (sigma-complex intermediate) / [1-(propene)][BArF4]
C         1.8622034519       10.1815580501        8.0408153980
C         0.6480891518       11.0814073870        7.7358262954
C        -0.2205359502       11.2633702651        8.9928682160
C         0.5986504006       11.8560515065       10.1477985727
C         1.8327046792       10.9936753162       10.4488332566
C         2.7033172481       10.7528315289        9.2002203872
C         4.2368261355        8.6768991331        7.1157804467
C         5.0671766807        8.1636153928        5.9203830900
C         6.1210131847        7.1301003786        6.3478957780
C         5.4731417335        5.9691656938        7.1067914333
C         4.7404103325        6.4903158031        8.3463957786
C         3.6663302869        7.5150824767        7.9559675157
C         3.6312757789       11.3193106518        5.8607193248
C         3.7665409136       11.2232096920        4.3310857412
C         2.9056850262        9.4363511335        2.0624518761
C         3.5962965797       10.4059570770        1.0844168493
C         3.9076347736        9.7039877237       -0.2516941423
C         4.7169885200        8.4133933682       -0.0617735917
C         4.0505172711        7.4754539361        0.9534653792
C         3.7775969897        8.1862137398        2.2898905063
C         1.0504465627       11.4530507102        3.0750874712
C        -0.2206403236       10.6911472945        2.6397898605
C        -1.2994034752       11.6501731787        2.1137743500
C        -1.6422448308       12.7198526720        3.1580175079
C        -0.3850247605       13.4809773510        3.5979537837
C         0.7048648478       12.5266977269        4.1236877729
Rh        1.5815756572        8.7554819959        5.0514581822
P         2.3447368342       10.2411956217        3.6427740608
P         2.8481616725        9.7636085274        6.5191922518
C         0.0260976734        6.9890403420        5.1190414734
C        -1.2396207916        7.6300352808        5.5998902300
C        -2.3974186028        6.9713875468        5.6576020568
H         1.4691998058        9.1973829516        8.3492974914
H         0.9915066748       12.0693210772        7.3924561026
H         0.0597131075       10.6464495871        6.9134978881
H        -0.6341383863       10.2883869768        9.2931419237
H        -1.0810411158       11.9065928776        8.7588436124
H        -0.0242924704       11.9474437761       11.0500926399
H         0.9151052432       12.8759233915        9.8847838527
H         2.4506674481       11.4755959592       11.2214768505
H         1.5082908395       10.0249178904       10.8582176384
H         3.5318421607       10.0790529665        9.4541919394
H         3.1544351842       11.7003909931        8.8858796549
H         4.8774158181        9.3053440796        7.7576770930
H         5.5525126216        9.0039097612        5.4046283668
H         4.3789870738        7.7031702230        5.1944642590
H         6.8760876005        7.6057490371        6.9885148896
H         6.6510520873        6.7713082049        5.4525252737
H         6.2215317877        5.2222626229        7.3985883796
H         4.7625542904        5.4501431745        6.4477142345
H         4.2717158494        5.6657702227        8.9032983270
H         5.4649044837        6.9574519137        9.0310175310
H         3.1785572838        7.9010099214        8.8587520128
H         2.8840091309        7.0011278452        7.3730972315
H         4.5987434258       11.5012779845        6.3496175778
H         2.9651093798       12.1471157753        6.1394269768
H         4.6812244471       10.6810845300        4.0534118188
H         3.8209202760       12.2147199297        3.8587807127
H         1.9576282696        9.1011018267        1.6075572681
H         4.5316283650       10.7642089509        1.5333097427
H         2.9785125126       11.2927726492        0.8961743132
H         4.4511441799       10.4041910812       -0.9034617635
H         2.9599063622        9.4648911596       -0.7588384991
H         5.7308027687        8.6617223638        0.2813832157
H         4.8358231427        7.8997275143       -1.0276497547
H         4.6771252094        6.5898743840        1.1253209261
H         3.0976587900        7.1037387800        0.5469946680
H         4.7316192288        8.4812270076        2.7522929044
H         3.2850778263        7.5041452685        2.9993072339
H         1.4818436307       11.9577886358        2.1935797192
H        -0.6132180186       10.1415294902        3.5119249408
H         0.0131850263        9.9404703346        1.8739239471
H        -2.1946220658       11.0778737280        1.8318435429
H        -0.9403700163       12.1344217972        1.1925685537
H        -2.1107094123       12.2425810273        4.0313165060
H        -2.3896539491       13.4149741205        2.7488694745
H        -0.6263994464       14.2185757193        4.3776535414
H         0.0122395937       14.0538355426        2.7476951192
H         1.6003164089       13.1037315213        4.3973980376
H         0.3495392913       12.0310174731        5.0390139009
H        -1.1892809775        8.6790925924        5.8920554973
H        -0.0944201414        5.9097148452        4.9398644548
H         0.8721229943        7.0286842446        5.8758762938
H        -3.3113394506        7.4527594953        5.9916322814
H        -2.4628978340        5.9282890550        5.3633823571
H         0.3674137964        7.3796758924        4.1096689052
C         9.3243555487        2.2700881525       11.8034700616
C        10.5651632572        1.3916623056       12.0689764462
C        11.3200329563        1.0986168919       10.7628584609
C        10.4066568387        0.4036036127        9.7440841160
C         9.1360262447        1.2267039220        9.4862444362
C         8.3867991847        1.5924158237       10.7839569060
C         7.1486211421        3.9388824329       12.9166044207
C         5.9728517664        3.9939500181       13.9089224741
C         4.8871525334        4.9586547325       13.3993520145
C         5.4425094246        6.3586929260       13.1200252950
C         6.6461235086        6.3086092302       12.1739590327
C         7.7183427366        5.3543852500       12.7129188647
C         7.6490861963        1.2138029293       14.0002000958
C         7.4299920216        1.2571700366       15.5211492938
C         8.2186861696        2.9102645731       17.8927813846
C         7.4966997767        1.9473462252       18.8491464954
C         7.1035555426        2.6631138678       20.1546386603
C         6.2906152943        3.9406833159       19.9022252334
C         6.9967289183        4.8743375915       18.9093647854
C         7.3457726744        4.1466035891       17.5998390752
C         9.9925246259        0.7515961823       16.9339424486
C        11.1628452433        1.3645589584       17.7287890559
C        12.1921268498        0.3093915598       18.1577557533
C        12.7024346838       -0.4844493616       16.9506552139
C        11.5328231865       -1.1454096277       16.2146967715
C        10.5002795403       -0.1020274187       15.7531259421
Rh        9.8668706397        3.5999401666       14.9429469308
P         8.8621674510        2.1058427388       16.3489264125
P         8.5020937912        2.7582770028       13.4008587965
C        11.2775681683        4.6068907443       13.4937076368
C        10.8730254388        5.4477575366       14.5258081589
C        11.3546959426        5.2232762282       15.9226016861
H         9.6686402877        3.2276288041       11.3796774197
H        10.2499513719        0.4373110713       12.5184343536
H        11.2233897963        1.8786218160       12.8022840492
H        11.6988169663        2.0428068680       10.3440159012
H        12.2035901779        0.4798604728       10.9758941491
H        10.9448074843        0.2382409864        8.7987386225
H        10.1330471152       -0.5917867498       10.1224920598
H         8.4517090541        0.6709798962        8.8273793161
H         9.4064689003        2.1501890887        8.9551640175
H         7.5350424863        2.2413952988       10.5385388421
H         7.9718583103        0.6790688533       11.2258894030
H         6.7681397604        3.5648721513       11.9509937377
H         5.5324969550        2.9994370705       14.0577015329
H         6.3464804874        4.3354307278       14.8855840699
H         4.4448352172        4.5437871157       12.4826526716
H         4.0707035678        5.0104153979       14.1338903751
H         4.6601713324        7.0021176980       12.6954617022
H         5.7448540843        6.8245690629       14.0682555091
H         7.0777336497        7.3103994770       12.0376986393
H         6.3222455992        5.9748055663       11.1775713792
H         8.5848816587        5.3367902728       12.0449924870
H         8.0780784901        5.7157806910       13.6884048514
H         6.7060691620        1.0661772139       13.4543841039
H         8.3089199040        0.3782743654       13.7296418430
H         6.5334984468        1.8418884850       15.7688663405
H         7.2863600215        0.2501184801       15.9382380388
H         9.1386369107        3.2694543438       18.3851800145
H         6.5938025005        1.5571374697       18.3593423004
H         8.1270806779        1.0803738348       19.0802509347
H         6.5335620939        1.9668112637       20.7876817286
H         8.0192710790        2.9225727274       20.7080886395
H         5.2992566479        3.6741219688       19.5102626188
H         6.1150211096        4.4655124489       20.8529892171
H         6.3672100456        5.7483647122       18.6933846417
H         7.9222784368        5.2651729305       19.3577732392
H         6.4154699784        3.8304161321       17.1034420611
H         7.8626948520        4.8232914424       16.9017633613
H         9.4020880078        0.1055469403       17.6043915080
H        11.6636773588        2.1170092010       17.0980326113
H        10.7861335802        1.8934712084       18.6123687856
H        13.0219293824        0.8033532083       18.6812783425
H        11.7326194029       -0.3804483278       18.8817589617
H        13.2416051875        0.1857393132       16.2652237377
H        13.4313127897       -1.2376923799       17.2796463527
H        11.8826526733       -1.7169002712       15.3427319188
H        11.0492363279       -1.8708463694       16.8830348920
H         9.6575851701       -0.6086762329       15.2598664428
H        10.9574346952        0.5628399617       15.0029731543
H        10.2211411542        6.2988366652       14.3298696709
H        10.9462977617        4.8090101377       12.4779266620
H        12.1551045917        3.9665380386       13.5878752952
H        11.1474075115        6.0668017758       16.5876636057
H        12.4053978602        4.9194050323       15.9884881963
H        10.7738117638        4.3616720548       16.4597880884
C         7.2918779868        2.8430168811        5.1497451686
C         6.8115999484        2.4613281623        6.4153790954
C         5.4479039658        2.4354117392        6.7139472671
C         4.4940878724        2.7542684102        5.7473775503
C         4.9569908838        3.0953508539        4.4775189012
C         6.3225387750        3.1361949127        4.1822804737
C         5.0363308959        2.0696696734        8.1034126138
C         4.0005305345        3.4574771112        3.3918404504
C         9.3270444089        3.8564052874        3.6311627677
C         8.6933876259        5.0973390039        3.4394190871
C         9.1502589470        6.0200796986        2.4922532364
C        10.2547475654        5.7278410857        1.6867090685
C        10.9044861609        4.5020423785        1.8626058915
C        10.4553112398        3.5943883730        2.8280329163
C         8.4984486652        7.3691641198        2.3619994430
C        12.1073369802        4.1851733398        1.0148268562
C         9.1454309461        1.2748452190        4.4347854967
C         8.9270292881        0.8239140055        3.1243685991
C         8.9960644741       -0.5279743117        2.7875719680
C         9.2783260633       -1.4981667455        3.7605358969
C         9.4876244750       -1.0661761472        5.0764578843
C         9.4258596381        0.2952678477        5.4001774811
C         8.8268712572       -0.8881191174        1.3393333342
C         9.8645942520       -2.0190086239        6.1795899150
C         9.7343106313        3.3160620169        6.1157303006
C        11.0561268112        2.9219296276        6.3695925305
C        11.7717721154        3.4197401379        7.4663770617
C        11.1961691650        4.3200834335        8.3635749567
C         9.8824961796        4.7183205638        8.1161041691
C         9.1822943064        4.2437740034        7.0094664395
C        13.1804872409        2.9518258514        7.6453446114
C         9.1679201622        5.6705971779        9.0137277240
B         8.8863583568        2.8277963882        4.8205848851
H         7.5180681525        2.1928268656        7.1996709658
H         3.4336269818        2.7502237772        5.9790112289
H         6.6291618978        3.4133920786        3.1744659980
H         7.8273040551        5.3585434685        4.0469010790
H        10.5959354253        6.4348295324        0.9379031905
H        10.9881064684        2.6526015423        2.9478347041
H         8.6898474115        1.5442637682        2.3427844184
H         9.3458974634       -2.5499269964        3.5010502189
H         9.5930465770        0.5934990831        6.4347224654
H        11.5437452225        2.2084500835        5.7045713892
H        11.7514126742        4.6856176312        9.2220940511
H         8.1684739561        4.6032169270        6.8472836883
F         9.7994780942        5.8090903436       10.2263740622
F         9.0532431020        6.9191153154        8.4648598268
F         7.8872769166        5.2565574983        9.2736069240
F        13.9398652446        3.2698331056        6.5416627959
F        13.7928396052        3.4856790907        8.7442451010
F        13.2581875301        1.5866118192        7.7325903079
F         9.1907827973       -1.7411348038        7.3504814488
F        11.2105107757       -1.9321525523        6.4754170053
F         9.6168494673       -3.3323833880        5.8847994504
F         8.6363654131       -2.2303065596        1.1711946802
F         9.9267586590       -0.5172913049        0.5905012385
F         7.7640832298       -0.2394648562        0.7429513998
F        12.3642620887        2.8407694114        0.9563759390
F        13.2515391938        4.7996609445        1.4718087881
F        11.9513317886        4.6271754268       -0.2889755392
F         8.8277919051        7.9500071320        1.1751779686
F         8.8980149749        8.2341227940        3.3687388021
F         7.1219116255        7.3364365364        2.4294075142
F         4.0579136090        2.5727255335        2.3458574868
F         4.2874216426        4.6975427532        2.8685186735
F         2.7086086051        3.4725727927        3.8236561043
F         5.4621636755        2.9833913831        9.0451816704
F         3.6851252946        1.9400970017        8.2427320849
F         5.5914837459        0.8643966844        8.4663574213
C         3.6999285645        9.3946489625       14.7012914646
C         4.1772520599        9.7671871289       13.4299375864
C         5.5443972861        9.8755463696       13.1490895136
C         6.5015190897        9.6026404727       14.1281152091
C         6.0555205581        9.2194916391       15.3946493019
C         4.6829485898        9.1325604739       15.6773769552
C         5.9649568437       10.2783183532       11.7658686944
C         7.0534732525        8.8761069048       16.4690782420
C         1.6438626509        8.4214043830       16.2393661841
C         2.2537833470        7.1693970075       16.4388640136
C         1.8058389241        6.2731377020       17.4224308527
C         0.7305301154        6.5977959971       18.2474861362
C         0.0836393476        7.8214145917       18.0370882625
C         0.5247367371        8.7046935197       17.0486348562
C         2.4497880891        4.9196617216       17.5272214805
C        -1.1287445252        8.1381498804       18.8619006733
C         1.8537886463       11.0123814404       15.4238665482
C         2.0552203333       11.4806923496       16.7326496453
C         1.9716905132       12.8388058445       17.0592621324
C         1.6884942813       13.7961055951       16.0799179946
C         1.4949948381       13.3513952879       14.7665324010
C         1.5770590126       11.9893938706       14.4502250682
C         2.1538037416       13.2181139038       18.5011227231
C         1.1235940117       14.3176344049       13.6749040282
C         1.1563246109        8.9536291432       13.7806269050
C        -0.1374757213        9.4452891367       13.5271868183
C        -0.9509973112        8.9136535109       12.5089673711
C        -0.4984963089        7.8702953919       11.7075762599
C         0.7798629902        7.3607458977       11.9587610498
C         1.5824824858        7.8840408669       12.9704098357
C        -2.3408854307        9.4537520656       12.3237975649
C         1.2687677245        6.2434647964       11.0975643662
B         2.0895976205        9.4426485303       15.0374209065
H         3.4629557712        9.9821401074       12.6357084817
H         7.5606505209        9.6670600931       13.9049477261
H         4.3774847950        8.8469499479       16.6838548654
H         3.1011819834        6.8801839864       15.8173978175
H         0.3976165661        5.9115067235       19.0195374909
H        -0.0106972165        9.6424734507       16.9102546789
H         2.2905524683       10.7700105803       17.5235570326
H         1.6128822739       14.8497036112       16.3301635123
H         1.4264936021       11.6873625421       13.4143706562
H        -0.5309355428       10.2597056204       14.1357143855
H        -1.1239116379        7.4619697258       10.9180689134
H         2.5662205092        7.4493948706       13.1343498325
F         1.2546608042        6.5983265516        9.7700114296
F         0.4754242861        5.1294278768       11.1841449924
F         2.5324814579        5.8462562253       11.4013579684
F        -3.0985452909        9.2135326998       13.4586419092
F        -3.0198702052        8.9103881186       11.2664332122
F        -2.3472044112       10.8121195567       12.1402730338
F         1.7999491149       14.0690984594       12.5052547372
F        -0.2241535746       14.2619956967       13.3862459649
F         1.3822622279       15.6146807211       13.9853289645
F         2.3523737226       14.5594932166       18.6870628398
F         1.0663467776       12.8500556741       19.2730850571
F         3.2316276369       12.5692249613       19.0559322517
F        -1.4325672951        9.4603582131       18.9103368905
F        -2.2669250431        7.5239781793       18.3916292410
F        -0.9646176889        7.7036102720       20.1608005514
F         2.1734634655        4.2550197048       18.6845557355
F         2.0218421583        4.0963026308       16.4875834036
F         3.8144266597        4.9915249031       17.4321380476
F         7.0012654494        9.7613335464       17.5159611070
F         6.8350580004        7.6306073387       16.9977348483
F         8.3462290595        8.8689736371       16.0334257688
F         5.5941822650        9.3494450961       10.8157696543
F         7.3057614776       10.4630124673       11.6263051695
F         5.3897037230       11.4698810081       11.3975359654
310
SCF Energy = -2189.6974412897 (a.u.)
Lowest Frequencies = 23.265762  24.871416  26.562806 (cm^-1)
VII (alkene complex) / [1-(propene)][BArF4]
C         1.6291216572       10.1812563567        7.9859499632
C         0.4492137665       11.1450531807        7.7506840352
C        -0.3427993828       11.3467253018        9.0538463325
C         0.5614922850       11.8958423938       10.1660478185
C         1.7808613481       10.9892040588       10.3885082238
C         2.5653584325       10.7209806793        9.0879465122
C         3.8994913353        8.6156797033        6.9324684951
C         4.7312558430        8.1179269841        5.7357176088
C         5.8454428862        7.1527420558        6.1752097186
C         5.2746326850        5.9801283015        6.9774963594
C         4.5085147644        6.4891776225        8.2023261564
C         3.3813305406        7.4462043390        7.7863299915
C         3.3461063308       11.2852418215        5.8246590860
C         3.5832167108       11.2561491022        4.3064630381
C         2.7747255097        9.5133973465        1.9719381535
C         3.5492832443       10.4456036779        1.0233644020
C         3.9230614825        9.7156727426       -0.2804683507
C         4.6859752053        8.4092900653       -0.0208128061
C         3.9277386224        7.5027263567        0.9579982341
C         3.5885048216        8.2376201850        2.2663931509
C         0.9800029817       11.6635469056        2.8892337027
C        -0.2456673245       10.9397953401        2.2917694210
C        -1.3319157339       11.9221337093        1.8376090829
C        -1.7478630616       12.8529665236        2.9809704112
C        -0.5328983519       13.6078978807        3.5315258739
C         0.5599852590       12.6356731850        4.0108516912
Rh        1.1324775389        8.9145496411        4.8635833701
P         2.1636984623       10.3740375414        3.5045376024
P         2.4964100600        9.7235012971        6.4043229123
C         0.5296008054        5.8894394565        5.0255305102
C        -0.1917977106        7.1985933417        5.1465183456
C        -0.3973243566        7.9260468793        6.3062381989
H         1.2087102258        9.2234439799        8.3311365744
H         0.8269682604       12.1206419700        7.4083033202
H        -0.1994554093       10.7594641110        6.9513327362
H        -0.7781453479       10.3853749537        9.3671658760
H        -1.1886958353       12.0251043322        8.8736731104
H        -0.0054184895       12.0004314299       11.1031786887
H         0.8981763685       12.9066436254        9.8933312000
H         2.4618203414       11.4449347342       11.1235199275
H         1.4491724013       10.0300628346       10.8145534179
H         3.3828290637       10.0174663173        9.2953908068
H         3.0299732624       11.6536785442        8.7462853120
H         4.5403175504        9.2568793977        7.5622206288
H         5.1713185602        8.9659161312        5.1923088298
H         4.0584160793        7.6040003416        5.0336072151
H         6.5854981638        7.6894127733        6.7853057548
H         6.3790264660        6.7953370687        5.2813926713
H         6.0721708643        5.2926219580        7.2876746340
H         4.5969784551        5.3970404670        6.3383783213
H         4.0834940428        5.6523487890        8.7758763042
H         5.2027405752        7.0093711860        8.8800130998
H         2.8765786732        7.8288128657        8.6792337179
H         2.6259434649        6.8893053102        7.2104282580
H         4.2809774386       11.4287597863        6.3851316639
H         2.6783725413       12.1156816240        6.0913526235
H         4.4935553861       10.6936512961        4.0581036110
H         3.7022881454       12.2667614327        3.8901076832
H         1.8436733169        9.2010197311        1.4692776033
H         4.4647650623       10.7890740646        1.5233975781
H         2.9640281431       11.3423809242        0.7897602299
H         4.5216343902       10.3916571938       -0.9090982239
H         3.0022072764        9.4890834589       -0.8401834492
H         5.6802245365        8.6380445050        0.3875340106
H         4.8569115378        7.8791289448       -0.9698619939
H         4.5161423032        6.6020450765        1.1808150210
H         2.9938158641        7.1536209482        0.4926128165
H         4.5203414918        8.5049493138        2.7866889568
H         3.0291855461        7.5765940914        2.9459863403
H         1.4861812909       12.2370794014        2.0955686612
H        -0.6669456024       10.2699811429        3.0643655298
H         0.0525486408       10.3034779223        1.4501031290
H        -2.1941623271       11.3617760061        1.4521143780
H        -0.9498102950       12.5216121737        0.9969744212
H        -2.2169005183       12.2665125005        3.7847499938
H        -2.5140215954       13.5552460180        2.6261861940
H        -0.8201802811       14.2671913560        4.3642335861
H        -0.1252116459       14.2625468776        2.7486185712
H         1.4317417255       13.2020885646        4.3699137873
H         0.1821331115       12.0516534057        4.8647148958
H        -0.8187284384        7.4730189561        4.2784134400
H        -0.2024230467        5.0719307130        4.9134204971
H         1.1373267497        5.6768095504        5.9111632746
H        -1.1895803529        8.6698858923        6.3760724469
H         0.0395942148        7.5896954532        7.2466473254
H         1.1764640357        5.8549237899        4.1369472730
C         9.1966915602        2.2407500847       11.8520867604
C        10.4258488778        1.3467380890       12.1182040448
C        11.2108709096        1.1042177904       10.8187893437
C        10.3167626933        0.4581179744        9.7515980180
C         9.0598313070        1.3022581494        9.4935859884
C         8.2766896360        1.6219015528       10.7836755817
C         6.9194991052        3.7863758262       12.9609385076
C         5.9753135369        4.1065503231       14.1337114090
C         4.8466833105        5.0520381443       13.6856650272
C         5.3962263566        6.3369723412       13.0622646554
C         6.3125556748        6.0117048919       11.8798219120
C         7.4462945427        5.0792629297       12.3213344949
C         7.5787499350        1.1469693058       14.1001002402
C         7.4095934064        1.2178253909       15.6266100264
C         8.2196529993        2.9296404144       17.9433889988
C         7.4723378759        1.9653956511       18.8793082346
C         7.0804962327        2.6659725848       20.1934727388
C         6.2831152795        3.9556093745       19.9533856571
C         7.0157703229        4.8957330620       18.9869294652
C         7.3702171076        4.1868876208       17.6694072850
C        10.0480656636        0.8462981506       16.9461394848
C        11.3151446478        1.5405751463       17.4821303993
C        12.3537985423        0.5249707027       17.9735819509
C        12.7155242814       -0.4680185291       16.8634223059
C        11.4616649489       -1.1712382589       16.3311861307
C        10.4090250960       -0.1613624321       15.8365340177
Rh        9.7172899078        3.6574698760       14.9245316144
P         8.8377515308        2.1362785140       16.3809064285
P         8.3540596154        2.7094525558       13.4429381297
C        11.0190367817        4.7234364941       13.4061534242
C        10.6296406440        5.5436526167       14.4594807147
C        11.1947214947        5.3483263175       15.8304043944
H         9.5693589222        3.2030408911       11.4679523235
H        10.0993781875        0.3760038470       12.5220586212
H        11.0665737534        1.8080694635       12.8845772235
H        11.6032561876        2.0632117060       10.4476433202
H        12.0862080294        0.4717499468       11.0255568397
H        10.8770650445        0.3242745053        8.8140526268
H        10.0252581871       -0.5487626549       10.0838755267
H         8.3914353461        0.7789523641        8.7934564338
H         9.3521184754        2.2454104457        9.0084853018
H         7.4469317679        2.3001906598       10.5438237472
H         7.8312505436        0.7001890008       11.1750865912
H         6.3586943083        3.2114091338       12.2042149198
H         5.5393150368        3.1875508381       14.5486532601
H         6.5592502680        4.5804037887       14.9365509677
H         4.2123718209        4.5388607810       12.9515809329
H         4.2006361139        5.2742724140       14.5478034446
H         4.5774711977        6.9908755468       12.7348643591
H         5.9577607247        6.9023635973       13.8184420359
H         6.7370674024        6.9289449965       11.4469388840
H         5.7295901367        5.5329380472       11.0785724983
H         8.0847823531        4.8359960907       11.4715718624
H         8.0771343877        5.6001018189       13.0575133674
H         6.6210702696        0.9650601259       13.5911326210
H         8.2515094347        0.3235015997       13.8248884835
H         6.5027655586        1.7772442858       15.8935927601
H         7.3147802679        0.2174040107       16.0725513945
H         9.1468736572        3.2576914024       18.4440269410
H         6.5644843628        1.6032497889       18.3778562507
H         8.0821030227        1.0812987298       19.0998320106
H         6.4997028653        1.9661961614       20.8126139451
H         7.9952684738        2.9085637573       20.7560805592
H         5.2949982447        3.7056953722       19.5421519320
H         6.0990265687        4.4671722305       20.9095768216
H         6.4039416879        5.7840606425       18.7780369626
H         7.9411919869        5.2627326232       19.4549007283
H         6.4425027011        3.8963957930       17.1536742098
H         7.9052088492        4.8692934846       16.9910278443
H         9.5637378781        0.2963105672       17.7701117203
H        11.7520879886        2.1432817610       16.6689606483
H        11.0628169661        2.2366738324       18.2902270309
H        13.2460222964        1.0563571830       18.3310909062
H        11.9505302711       -0.0213702393       18.8399463211
H        13.2183627577        0.0646505086       16.0429666699
H        13.4388607766       -1.2034818250       17.2420545300
H        11.7146622370       -1.8615452871       15.5133885866
H        11.0248594569       -1.7892246236       17.1283763647
H         9.5125101516       -0.7009107449       15.4978959580
H        10.8022092425        0.3880939856       14.9668822139
H         9.9301139555        6.3645108212       14.2994499901
H        10.6263643488        4.9130253352       12.4099061284
H        11.9242521202        4.1181916762       13.4553752835
H        10.9876224103        6.1875840681       16.5010291749
H        12.2607241953        5.0917574881       15.8419346080
H        10.6823767635        4.4656223412       16.3971842649
C         7.3004596782        2.8794773542        5.1547719708
C         6.8219535991        2.5046826582        6.4243014625
C         5.4563586359        2.4430126827        6.7149821079
C         4.5015796250        2.7366176958        5.7411123118
C         4.9632876752        3.0960487737        4.4756502230
C         6.3294098867        3.1609022499        4.1850897543
C         5.0393441439        2.0703600546        8.1030296053
C         4.0036638857        3.4560695947        3.3922552639
C         9.3475256383        3.8819046258        3.6306042865
C         8.7475527323        5.1400963961        3.4521255382
C         9.2119674243        6.0503038412        2.4931581204
C        10.2979479222        5.7416790130        1.6771753044
C        10.9214143793        4.5041978824        1.8553115999
C        10.4630999795        3.6012993606        2.8179600034
C         8.5378495539        7.3813599899        2.3571943979
C        12.1146370672        4.1804108029        1.0117044344
C         9.1486884209        1.2933202430        4.4405925816
C         8.9242996341        0.8376564736        3.1301993135
C         8.9904022388       -0.5159660082        2.7919265292
C         9.2719057967       -1.4853059053        3.7659951934
C         9.4860645634       -1.0544875673        5.0814146423
C         9.4289823333        0.3095013387        5.4048211809
C         8.8244103489       -0.8839000888        1.3428028800
C         9.8617762220       -2.0175462451        6.1806467939
C         9.7471550669        3.3857815302        6.0969856357
C        11.0442215792        2.9493930490        6.3957672576
C        11.7629971372        3.4645676041        7.4821373651
C        11.1924021717        4.4147314908        8.3408529860
C         9.8935650295        4.8620393689        8.0519218451
C         9.2150881729        4.3819473438        6.9302389733
C        13.1701402672        2.9635993258        7.6558000119
C         9.1073146016        5.7495804796        8.9822687861
B         8.8959038029        2.8582017523        4.8193738993
H         7.5319321539        2.2660262340        7.2149998078
H         3.4399883918        2.7097955966        5.9671027755
H         6.6360290945        3.4470915036        3.1797694473
H         7.8919430958        5.4197362821        4.0658873692
H        10.6389865371        6.4389874693        0.9194268725
H        10.9801459861        2.6504923574        2.9301403375
H         8.6869605970        1.5572333146        2.3479099466
H         9.3354488961       -2.5376849748        3.5077522232
H         9.5985044713        0.6058897545        6.4397162004
H        11.5116315270        2.1861233840        5.7730738632
H        11.7355451841        4.7711039573        9.2118586320
H         8.2130992653        4.7579090869        6.7329378742
F         9.6630273874        5.8034257917       10.2339182025
F         8.9657019905        7.0527490014        8.5960221619
F         7.8244833552        5.2632566350        9.1248697775
F        13.9344532068        3.2661276095        6.5472067001
F        13.7936183138        3.4882953906        8.7495255664
F        13.2516999329        1.5939931769        7.7344330237
F         9.1904979664       -1.7407656568        7.3516325169
F        11.2101670554       -1.9318114033        6.4751320529
F         9.6161935404       -3.3307702361        5.8842443315
F         8.6361163423       -2.2278190312        1.1729319047
F         9.9254300024       -0.5166906421        0.5909620073
F         7.7629571957       -0.2385255096        0.7425455672
F        12.3664068071        2.8364478578        0.9540402294
F        13.2548262766        4.7989388849        1.4706594422
F        11.9532898170        4.6271804382       -0.2906207246
F         8.8235535970        8.0114810940        1.1803984863
F         8.9027396315        8.2409613631        3.3796710726
F         7.1759316524        7.2708052043        2.4291096021
F         4.0579978560        2.5724727466        2.3451392791
F         4.2874268766        4.6976013154        2.8686476824
F         2.7112668160        3.4715305086        3.8242688222
F         5.4622871651        2.9836859633        9.0456496821
F         3.6865140598        1.9403022757        8.2416632233
F         5.5910964100        0.8637448133        8.4660264542
C         3.6953482017        9.3907089222       14.7065357003
C         4.1688962008        9.7630187481       13.4346048309
C         5.5347041989        9.8666877611       13.1501812414
C         6.4946626514        9.5962401225       14.1272523889
C         6.0523170922        9.2154334397       15.3955866549
C         4.6802073164        9.1266103136       15.6803936309
C         5.9498546373       10.2588467679       11.7637110918
C         7.0525748538        8.8752284236       16.4691344521
C         1.6402474053        8.4228414284       16.2425507254
C         2.2510729193        7.1714025954       16.4417696353
C         1.7999518832        6.2700715528       17.4187665059
C         0.7192228569        6.5901795624       18.2384012518
C         0.0780562350        7.8176560223       18.0340819828
C         0.5213456895        8.7054789981       17.0512192740
C         2.4475686433        4.9179869927       17.5248578882
C        -1.1307791856        8.1360931183       18.8607456208
C         1.8542484286       11.0128447977       15.4243157846
C         2.0546026226       11.4817427181       16.7328288656
C         1.9705647430       12.8397893521       17.0590037678
C         1.6859399134       13.7963849310       16.0794858958
C         1.4964053548       13.3512837246       14.7656229726
C         1.5816534067       11.9895592936       14.4490923064
C         2.1540811274       13.2190961198       18.5003095148
C         1.1238068928       14.3174683270       13.6743493910
C         1.1533699266        8.9533335859       13.7842345685
C        -0.1391659770        9.4470136275       13.5283828942
C        -0.9521527094        8.9134597171       12.5107637733
C        -0.5012472041        7.8667644330       11.7130022750
C         0.7770180265        7.3571586556       11.9645949727
C         1.5788723019        7.8820283856       12.9759670379
C        -2.3412952353        9.4540892522       12.3236927361
C         1.2671643372        6.2405659477       11.1032478525
B         2.0866030741        9.4423563410       15.0412398930
H         3.4531201359        9.9782894355       12.6415518268
H         7.5530122824        9.6581304181       13.8999962698
H         4.3764491869        8.8404474393       16.6871545010
H         3.1026641122        6.8875532274       15.8242011640
H         0.3819165311        5.9007211373       19.0055712223
H        -0.0120554863        9.6450412808       16.9171186159
H         2.2899233938       10.7714253192       17.5239193568
H         1.6060649679       14.8497170873       16.3295843909
H         1.4350613898       11.6875367556       13.4124969424
H        -0.5325828826       10.2634972850       14.1344054189
H        -1.1290762091        7.4557795535       10.9267029448
H         2.5616144484        7.4461690876       13.1418463357
F         1.2527776955        6.5975929716        9.7749272119
F         0.4739777326        5.1272601181       11.1855621042
F         2.5323572676        5.8457146688       11.4020984604
F        -3.0989071755        9.2137126632       13.4590883030
F        -3.0194899432        8.9104368325       11.2667382839
F        -2.3472904800       10.8120733919       12.1402977341
F         1.8001681365       14.0691114371       12.5050065263
F        -0.2238681814       14.2617935001       13.3863121983
F         1.3823420994       15.6142047947       13.9857405858
F         2.3523418323       14.5600048320       18.6871052699
F         1.0667118508       12.8500809812       19.2731499056
F         3.2317606356       12.5700219639       19.0552668259
F        -1.4327352245        9.4591582551       18.9096283250
F        -2.2687954142        7.5235114326       18.3921553199
F        -0.9645060797        7.7037935899       20.1607418092
F         2.1732050663        4.2549422210       18.6843463465
F         2.0214493054        4.0954568391       16.4869742789
F         3.8134530653        4.9919414326       17.4323494535
F         7.0010702128        9.7611657140       17.5156277030
F         6.8350582441        7.6300448233       16.9982407853
F         8.3457039537        8.8690396137       16.0333463261
F         5.5266258318        9.3495207934       10.8166850441
F         7.3015966952       10.3934025599       11.6227855672
F         5.3983240299       11.4669808289       11.4004503544
86
SCF Energy = -320.5460492310 (a.u.)
Lowest Frequencies = 26.359660  29.116219  32.391067 (cm^-1)
I+ (molecular, CP2K) / [1-(propene)]+
C        12.0799647837       12.8582904717       15.4828972027
C        10.8438457214       13.7261833444       15.1742071575
C        10.0925915648       14.0949519580       16.4642704890
C        11.0195354861       14.7997934669       17.4657101253
C        12.2606464147       13.9471769330       17.7666352226
C        13.0203370311       13.5666744228       16.4809784365
C        14.3206041957       11.2110561222       14.4901071773
C        15.1935562949       10.7527513569       13.3051753494
C        16.3675661283        9.8776380583       13.7766512206
C        15.8798400069        8.6766027140       14.5990506207
C        15.0152924314        9.1354628557       15.7817377880
C        13.8332273789       10.0022314935       15.3122874769
C        13.7373055147       13.8225944237       13.2537053998
C        13.8810848211       13.7768783056       11.7266972403
C        13.1024695544       12.1405462684        9.3844524875
C        13.8174188116       13.1493512398        8.4617708283
C        14.2656345067       12.4693897058        7.1538751058
C        15.1493590261       11.2434585556        7.4255807002
C        14.4420154848       10.2453857914        8.3543806149
C        13.9988340921       10.9169096928        9.6651685436
C        11.2466668927       14.1859014436       10.4132948288
C        10.0048053550       13.5403569769        9.7631631784
C         8.9941977846       14.6070019419        9.3067975092
C         8.5871252116       15.5268575072       10.4667704134
C         9.8196117813       16.1683609887       11.1197088014
C        10.8334752090       15.1058016546       11.5787340447
Rh       11.5884180150       11.3361561723       12.4137677532
P        12.4489334657       12.8812733245       10.9569852517
P        12.9161750939       12.2896330667       13.9264175826
C        10.3362594808       10.2142391718       13.9201158003
C        10.7680190275        9.4149402407       12.8636704261
C        10.1968682523        9.5837931870       11.4889573742
H        11.7231230449       11.9270690301       15.9507542601
H        11.1613564347       14.6512886960       14.6694021889
H        10.1849942362       13.1969738747       14.4692571037
H         9.6836854219       13.1810776428       16.9205261063
H         9.2299296128       14.7320883241       16.2211570519
H        10.4775685422       15.0225316696       18.3964359337
H        11.3333766147       15.7694836809       17.0517150010
H        12.9394411474       14.4799582373       18.4483152399
H        11.9561650484       13.0285783218       18.2897380017
H        13.8772549055       12.9260192175       16.7328176102
H        13.4298199566       14.4767494009       16.0179034082
H        14.9303854912       11.8578933985       15.1436311027
H        15.5784921268       11.6216366723       12.7521938490
H        14.5597102230       10.1893369834       12.6030717360
H        17.0529238551       10.4848679550       14.3865516467
H        16.9474296165        9.5402907982       12.9051944360
H        16.7359970681        8.0873223692       14.9583595257
H        15.2913854288        8.0067975863       13.9545878658
H        14.6359768181        8.2694157748       16.3433577259
H        15.6323336687        9.7131148161       16.4859015510
H        13.2460868397       10.3333589496       16.1806721517
H        13.1622508970        9.3956488721       14.6849638020
H        14.7075601437       13.9640214673       13.7501575274
H        13.0961118130       14.6623554628       13.5540443135
H        14.7795829910       13.2153321203       11.4369577871
H        13.9759340590       14.7835227410       11.2962963289
H        12.1966015303       11.7805874759        8.8679648591
H        14.6989849101       13.5554418471        8.9802256023
H        13.1640814449       14.0029656789        8.2328242341
H        14.7979350748       13.1982636076        6.5256431185
H        13.3762410152       12.1620118010        6.5841805667
H        16.0923132757       11.5682300115        7.8895831322
H        15.4232415486       10.7554363326        6.4788156568
H        15.0998433038        9.3932350238        8.5787979039
H        13.5604929522        9.8297617327        7.8436649593
H        14.8901041694       11.2368255123       10.2263615953
H        13.4672712680       10.2043603073       10.3151413308
H        11.7700065207       14.7938642515        9.6571487110
H         9.5301592906       12.8763132789       10.5040388464
H        10.2942254726       12.9095487388        8.9102826601
H         8.1105729681       14.1159899165        8.8739529513
H         9.4396261366       15.2073850558        8.4996822637
H         8.0366050280       14.9434970645       11.2195503375
H         7.8961161589       16.3049797089       10.1112968018
H         9.5236168940       16.7891574283       11.9779393271
H        10.3040014213       16.8464052581       10.4013842936
H        11.7156698241       15.5994591757       12.0113701613
H        10.3906579384       14.4878757332       12.3748739287
H        11.5100979970        8.6333526375       13.0254070513
H        10.7352494214       10.0419887757       14.9180146884
H         9.4028147515       10.7748908834       13.8693019131
H        10.4466055125        8.7575258393       10.8131801000
H         9.1188789205        9.7858112906       11.4750811270
H        10.6647415927       10.4973589254       10.9312607272
9
SCF Energy =   -20.6112167826 (a.u.)
Lowest Frequencies = 200.233747  413.850329  580.127021 (cm^-1)
propene (molecular, CP2K)
C        12.3661501875       12.8525966367       13.5534244300
C        12.9717358256       12.3263859871       12.4816871953
C        12.4382028542       12.3684520319       11.0785251986
H        13.9274519282       11.8229627131       12.6159084704
H        12.8062999968       12.7884817091       14.5467101207
H        11.4107559625       13.3655100456       13.4767329960
H        12.2995284823       11.3528546406       10.6741820248
H        11.4747194922       12.8904858835       11.0247578211
H        13.1409260031       12.8784976897       10.4001711025
86
SCF Energy = -1261.41807403 (a.u.)
Lowest Frequencies = 29.3884  33.030600  37.738500 (cm^-1)
I+ (molecular, G09) / [1-(propene)]+
C       -1.352458000     -0.969050000      2.947972000
C       -0.812342000      0.244125000      3.399519000
C        0.611986000      0.348610000      3.876845000
C        3.225303000     -0.668126000     -0.128499000
C        3.129272000     -1.821303000      0.898155000
C        4.499831000     -2.503077000      1.097447000
C        5.090572000     -2.996432000     -0.236649000
C        5.161646000     -1.857426000     -1.270232000
C        3.783930000     -1.189657000     -1.473140000
C        2.161424000      2.106667000     -0.341912000
C        3.066144000      2.450630000     -1.546276000
C        3.557869000      3.913891000     -1.467993000
C        2.387772000      4.906972000     -1.344584000
C        1.483956000      4.554571000     -0.148763000
C        0.981429000      3.098180000     -0.229736000
C        0.804061000     -0.155421000     -1.912055000
C       -0.699113000      0.144893000     -1.890251000
C       -3.076369000      0.736131000     -0.122205000
C       -2.893527000      2.041119000      0.685735000
C       -4.240322000      2.773199000      0.870035000
C       -4.924880000      3.061024000     -0.478762000
C       -5.069559000      1.776020000     -1.313048000
C       -3.711234000      1.063681000     -1.497699000
C       -2.089925000     -2.103440000     -0.348293000
C       -3.168595000     -2.383676000     -1.419747000
C       -3.621748000     -3.861250000     -1.376652000
C       -2.438778000     -4.835589000     -1.509238000
C       -1.370538000     -4.551415000     -0.437839000
C       -0.901549000     -3.082824000     -0.488439000
H       -1.449730000      1.130993000      3.498525000
H        3.929743000      0.089705000      0.271302000
H        2.767698000      2.189705000      0.584890000
H       -3.766468000      0.072715000      0.438637000
H       -2.549002000     -2.260109000      0.648722000
H       -0.860390000     -1.927236000      3.159719000
H       -2.419496000     -1.024692000      2.708430000
H        6.093886000     -3.430847000     -0.074157000
H        4.454914000     -3.811251000     -0.637263000
H        5.534173000     -2.236991000     -2.239304000
H        5.888466000     -1.094044000     -0.928732000
H        3.085850000     -1.939074000     -1.893322000
H        3.862335000     -0.375010000     -2.213816000
H        2.496386000      2.311098000     -2.485549000
H        3.934793000      1.771146000     -1.590847000
H        4.225517000      4.023386000     -0.590545000
H        4.169241000      4.144208000     -2.359795000
H        2.771089000      5.938989000     -1.245704000
H        1.786757000      4.881327000     -2.275543000
H        0.621844000      5.244476000     -0.098309000
H        2.053065000      4.689281000      0.792758000
H        0.326274000      2.990777000     -1.116701000
H        0.365486000      2.845114000      0.653969000
H        1.308467000      0.370629000     -2.739953000
H        0.983943000     -1.234736000     -2.047362000
H       -1.229514000     -0.382965000     -2.701575000
H       -0.878945000      1.224752000     -2.025433000
H       -2.438949000      1.826197000      1.666999000
H       -2.186644000      2.703750000      0.149255000
H       -4.908024000      2.145336000      1.493259000
H       -4.077785000      3.712747000      1.429522000
H       -5.913343000      3.528347000     -0.316147000
H       -4.317978000      3.794856000     -1.045699000
H       -5.501782000      2.004518000     -2.304548000
H       -5.776716000      1.086001000     -0.811356000
H       -3.033698000      1.734592000     -2.058914000
H       -3.843450000      0.158755000     -2.112267000
H       -2.764880000     -2.154686000     -2.425452000
H       -4.047494000     -1.735383000     -1.266023000
H       -4.142488000     -4.048413000     -0.416496000
H       -4.363762000     -4.038416000     -2.176511000
H       -2.792675000     -5.880021000     -1.433632000
H       -1.984775000     -4.727139000     -2.514558000
H       -0.502447000     -5.223581000     -0.566908000
H       -1.790994000     -4.764596000      0.565134000
H       -0.159501000     -2.883508000      0.307314000
H       -0.393996000     -2.903758000     -1.456575000
H        0.972313000     -0.558440000      4.388144000
H        0.776515000      1.235354000      4.509450000
H        1.341738000      0.525346000      3.011229000
H        2.747976000     -1.443915000      1.864896000
H        2.395172000     -2.569003000      0.538599000
H        5.198318000     -1.777668000      1.560438000
H        4.398664000     -3.342284000      1.810020000
P        1.586702000      0.298949000     -0.259215000
P       -1.479446000     -0.303630000     -0.226153000
Rh       0.012220000     -0.044051000      1.436358000
95
SCF Energy = -1379.34327467 (a.u.)
Lowest Frequencies = 29.895400  37.4020  44.3137 (cm^-1)
Ibis+ (molecular, G09) / [1-(propene)2]+
C       -1.705410000     -0.524729000      2.738400000
C       -0.836873000     -1.635688000      2.584081000
C        0.019040000     -2.197968000      3.695391000
C        1.834076000      0.347731000      2.679417000
C        0.765782000      1.072299000      3.215676000
C        0.577561000      2.555287000      3.011892000
C        3.076552000     -0.997754000     -0.296168000
C        2.710584000     -2.316079000      0.425632000
C        3.951715000     -3.215133000      0.610213000
C        4.650729000     -3.509276000     -0.729676000
C        4.975492000     -2.207256000     -1.483431000
C        3.719251000     -1.326593000     -1.667625000
C        2.314490000      1.943572000     -0.593179000
C        3.482587000      2.102583000     -1.591392000
C        3.996930000      3.560444000     -1.620671000
C        2.873385000      4.568515000     -1.917717000
C        1.712690000      4.405717000     -0.920389000
C        1.187281000      2.955349000     -0.908608000
C        0.746707000     -0.243838000     -2.006592000
C       -0.735318000      0.144064000     -2.016926000
C       -3.036144000      0.991743000     -0.254346000
C       -2.684209000      2.239130000      0.588852000
C       -3.926487000      3.129445000      0.804404000
C       -4.570311000      3.541687000     -0.532208000
C       -4.882461000      2.311211000     -1.403081000
C       -3.630926000      1.430179000     -1.615606000
C       -2.373170000     -1.946616000     -0.568951000
C       -3.596918000     -2.018730000     -1.510845000
C       -4.185032000     -3.447894000     -1.545859000
C       -3.129914000     -4.500772000     -1.927827000
C       -1.908593000     -4.420374000     -0.994614000
C       -1.312896000     -2.997301000     -0.976859000
H       -1.106548000     -2.390035000      1.833458000
H        0.235614000      0.649932000      4.076765000
H        3.817312000     -0.452542000      0.323214000
H        2.699797000      2.173108000      0.421231000
H       -1.716568000      0.032497000      3.683404000
H       -2.660355000     -0.507979000      2.199514000
H       -3.804925000      0.410945000      0.295315000
H       -2.722510000     -2.181182000      0.457649000
H       -0.553150000     -2.997873000      4.206663000
H        0.284166000     -1.450927000      4.460312000
H        2.624088000      0.863720000      2.123113000
H        2.119982000     -0.616560000      3.109912000
H        5.571951000     -4.096642000     -0.561314000
H        3.986633000     -4.136554000     -1.357434000
H        5.414615000     -2.432133000     -2.472790000
H        5.740420000     -1.635398000     -0.921526000
H        2.988381000     -1.878960000     -2.288352000
H        3.981280000     -0.413193000     -2.223758000
H        3.145107000      1.813332000     -2.606146000
H        4.317300000      1.433953000     -1.322025000
H        4.450666000      3.799929000     -0.638439000
H        4.805198000      3.647402000     -2.369779000
H        3.266464000      5.601020000     -1.886650000
H        2.495063000      4.404841000     -2.946618000
H        0.886499000      5.097003000     -1.168418000
H        2.060309000      4.677962000      0.096040000
H        0.762149000      2.727688000     -1.905321000
H        0.364535000      2.852850000     -0.176806000
H        1.289882000      0.226395000     -2.844986000
H        0.861088000     -1.335732000     -2.111261000
H       -1.280360000     -0.368251000     -2.829456000
H       -0.850109000      1.228096000     -2.179052000
H       -2.255135000      1.932977000      1.559695000
H       -1.904125000      2.824472000      0.063354000
H       -4.667115000      2.571863000      1.411712000
H       -3.646853000      4.023852000      1.390865000
H       -5.490296000      4.126946000     -0.350687000
H       -3.875100000      4.208211000     -1.080806000
H       -5.281652000      2.624123000     -2.385342000
H       -5.674064000      1.706318000     -0.918200000
H       -2.874906000      2.017959000     -2.170299000
H       -3.884675000      0.561813000     -2.244870000
H       -3.293674000     -1.722276000     -2.534279000
H       -4.380811000     -1.313316000     -1.186732000
H       -4.597011000     -3.690230000     -0.546169000
H       -5.034876000     -3.476000000     -2.252090000
H       -3.571508000     -5.513516000     -1.898636000
H       -2.801522000     -4.328904000     -2.972461000
H       -1.132624000     -5.142836000     -1.307302000
H       -2.210628000     -4.703528000      0.033255000
H       -0.440384000     -2.952495000     -0.299438000
H       -0.942037000     -2.757952000     -1.992747000
H        0.942555000     -2.666712000      3.314243000
H        1.085783000      2.915360000      2.101872000
H        1.007278000      3.105798000      3.873047000
H       -0.489612000      2.833081000      2.960278000
H        2.242186000     -2.104666000      1.401466000
H        1.953608000     -2.857648000     -0.176401000
H        4.663947000     -2.708051000      1.291504000
H        3.657022000     -4.157456000      1.107744000
P        1.587056000      0.192981000     -0.372928000
P       -1.576513000     -0.231588000     -0.370117000
Rh      -0.027045000      0.038166000      1.396630000
9
SCF Energy =  -117.90683351 (a.u.)
Lowest Frequencies = 221.422400  404.539600  569.648800 (cm^-1)
propene (molecular, G09)
C        1.291853000     -0.220649000      0.000001000
C        0.130193000      0.456836000     -0.000002000
C       -1.238838000     -0.165377000      0.000000000
H        0.158443000      1.556803000      0.000001000
H        1.317769000     -1.317947000      0.000000000
H        2.258363000      0.295847000     -0.000001000
H       -1.189175000     -1.267492000     -0.000040000
H       -1.822341000      0.153995000     -0.884420000
H       -1.822305000      0.153939000      0.884465000
632
SCF Energy = -4406.9982432671 (a.u.)
Lowest Frequencies = 12.749961  14.195197  20.240388 (cm^-1)
III (cis) / [1-(2-butene)][BArF4]
B         9.5706799092        4.5163885511        5.0045928177
C        10.7828120153        5.5520517875        5.3866314950
C        10.9143514698        6.0961370995        6.6815033499
C        11.8640069789        7.0820541615        6.9867827740
C        12.7201826780        7.5699933399        5.9932574859
C        12.6058884635        7.0418478628        4.7014279514
C        11.6546628044        6.0583679868        4.4080161253
C        12.0000825283        7.5475437580        8.4174986518
C        13.5169548778        7.4973925712        3.5960990757
C         9.2300594124        3.4939343949        6.2233778796
C         7.9393557958        2.9797537379        6.4158064270
C         7.6617571348        2.0454713159        7.4206854867
C         8.6654166145        1.5838055714        8.2678185958
C         9.9641969426        2.0680081435        8.0742229486
C        10.2412489697        2.9947984187        7.0681017825
C         6.2566050766        1.5505985572        7.5683792060
C        11.0393507709        1.5667825152        8.9883394873
F        12.8954874804        8.5690811633        8.5784814558
F        12.3948362064        6.5101516171        9.2440724136
F        14.4844274783        8.3542080996        4.0600564590
F        12.8516424963        8.1533904509        2.5895842860
F        14.1380750924        6.4387100148        2.9668336424
F         6.0678321961        0.7825893928        8.6704029287
F         5.8672283952        0.7810780621        6.4957626894
F         5.3562554647        2.5804246578        7.6214757625
F        10.6070584831        1.5713246936       10.2955770842
F        12.1859007394        2.2941318698        8.9496918086
F        11.4009888273        0.2704914520        8.7272235228
F        10.8203305924        8.0040474831        8.9493234650
H        10.2620400183        5.7384306789        7.4775102064
H        13.4690669376        8.3196726140        6.2246658638
H        11.5967801604        5.6786023057        3.3880495805
H         7.1237110180        3.3208523125        5.7783905828
H         8.4409300735        0.8777893643        9.0605078450
H        11.2634021518        3.3493642296        6.9481693686
F         8.4509224015        8.0729961336        1.2545312289
F         6.3192320617        8.5786384643        1.4779905240
F         8.5351677529        1.5046113882       -0.3032365471
F         4.6536029931        8.3639275002        5.9887455785
F         7.7414049458        0.2196115894        1.2621168966
F        13.0762252112        0.7827162851        1.3172840007
F         6.9644030017        2.2822021835        1.0364334970
F         4.9415459771        6.4386983595        7.0265712676
C        11.4800553948        2.0427003518        2.5697046020
F         6.8965263505        6.5820214638        0.7430205820
C        10.4752727786        1.5616555716        1.7336875969
H        10.7015314593        0.8445743618        0.9507038976
F         6.2930965480        8.1468645917        7.4059728301
C         8.2288398552        6.0820105663        3.3594080786
H         8.8983155120        5.7418095490        2.5699874686
C         9.9092513633        3.4995591312        3.7636316733
C         8.3482905587        5.5357635575        4.6485539158
C        11.2016229706        2.9896625796        3.5641362985
H        12.0194982640        3.3420127076        4.1922622611
C         8.8982222217        2.9839260519        2.9215728178
H         7.8744274225        3.3349892680        3.0396342708
F        13.2765909924        0.7807382038        3.4917990496
C         7.4652706453        6.0341734006        5.6222649216
H         7.5207492711        5.6560558842        6.6427665139
C         6.4036779158        7.5413475194        4.0317908517
H         5.6572832050        8.2916115415        3.7942277408
C         9.1737027848        2.0420077205        1.9232102766
C         7.2783413221        7.0601542153        3.0545056574
C         6.5096730864        7.0123532553        5.3211541237
C         8.1012426028        1.5269218275        1.0042284955
C         7.2251208356        7.5746586052        1.6477872633
C        12.8876385087        1.5495359730        2.4210763074
F        13.7868984471        2.5804957163        2.3652398446
C         5.6026540122        7.4877176752        6.4188902973
B        -0.0341549379       13.0865954195        4.9989522031
C         1.1771276732       14.1208308267        5.3742405575
C         1.3042297546       14.6622128679        6.6698248694
C         2.2522249359       15.6460994789        6.9756802688
C         3.1111073506       16.1355312212        5.9845471430
C         3.0011610034       15.6108883083        4.6929036407
C         2.0501695432       14.6272795196        4.3966576062
C         2.3958260253       16.1202147265        8.3995895462
C         3.9164198891       16.0725362788        3.5936832465
C        -0.3703987563       12.0666527633        6.2204462544
C        -1.6607687194       11.5532496010        6.4146626180
C        -1.9377096229       10.6217257478        7.4218580231
C        -0.9340640876       10.1620345604        8.2699529334
C         0.3648426356       10.6450810991        8.0742260846
C         0.6415466565       11.5689553467        7.0652567090
C        -3.3425858697       10.1277510148        7.5694950753
C         1.4403195526       10.1443046199        8.9883460124
F         3.2957515000       17.1456598562        8.5113321587
F         2.7976006163       15.0937628731        9.2400680626
F         4.8837915741       16.9301147477        4.0601987517
F         3.2526015940       16.7310574299        2.5887080454
F         4.5395560419       15.0153781291        2.9657402431
F        -3.5313665882        9.3598125591        8.6711558251
F        -3.7317330924        9.3585644955        6.4962244140
F        -4.2427633909       11.1578181705        7.6216269687
F         1.0081279429       10.1488364187       10.2955850226
F         2.5869144206       10.8715766973        8.9497117977
F         1.8020254021        8.8479715980        8.7272897388
F         1.2248855496       16.5823886746        8.9478690903
H         0.6497104967       14.3044341422        7.4639267222
H         3.8596026426       16.8845916675        6.2180197338
H         1.9935153203       14.2477602068        3.3765768706
H        -2.4766208487       11.8927996161        5.7767104946
H        -1.1585259597        9.4584347777        9.0647765455
H         1.6638187729       11.9226360378        6.9434741797
F        -1.1482064363       16.6505083420        1.2545510878
F        -3.2798264822       17.1562357640        1.4779052863
F        -1.0640970820       10.0819655527       -0.3043327499
F        -4.9453127989       16.9413556723        5.9887345920
F        -1.8578216229        8.7966840878        1.2618225968
F         3.4774332118        9.3600606637        1.3170449598
F        -2.6346302549       10.8594048002        1.0361344034
F        -4.6574663186       15.0160867927        7.0266343257
C         1.8805235317       10.6190950311        2.5683599107
F        -2.7025386818       15.1593893179        0.7428655884
C         0.8770963193       10.1405550425        1.7293678195
H         1.1048644570        9.4273814668        0.9438930251
F        -3.3057445859       16.7241543872        7.4057089189
C        -1.3751686196       14.6543979764        3.3567362866
H        -0.7071482944       14.3130642529        2.5665600369
C         0.3061766864       12.0708925454        3.7618154370
C        -1.2567794938       14.1064112163        4.6451580525
C         1.5994499290       11.5627195465        3.5647119294
H         2.4153900820       11.9145439623        4.1955875938
C        -0.7035454930       11.5560271009        2.9196538093
H        -1.7278494809       11.9051059165        3.0384831091
F         3.6775823850        9.3582669303        3.4916352293
C        -2.1378338496       14.6064688881        5.6198831639
H        -2.0833688685       14.2268154836        6.6398489668
C        -3.1949298237       16.1192646701        4.0318291532
H        -3.9389631906       16.8722054190        3.7953343468
C        -0.4253245009       10.6175402534        1.9200357287
C        -2.3222619180       15.6362300802        3.0536319844
C        -3.0903109106       15.5883355742        5.3204985839
C        -1.4979603549       10.1035682204        1.0026685935
C        -2.3742383172       16.1520657822        1.6475150121
C         3.2884924998       10.1268445217        2.4206182565
F         4.1877815474       11.1578983163        2.3652535246
C        -3.9963676193       16.0648541100        6.4186952028
B         9.5109417024       12.6461311586       14.9848213865
C        10.7221480548       11.6117770589       15.3604753173
C        10.8491992454       11.0704458555       16.6561383326
C        11.7970144786       10.0863439521       16.9620875010
C        12.6557641682        9.5966559448       15.9709482920
C        12.5459985401       10.1213996165       14.6793246992
C        11.5951317325       11.1050834851       14.3829708728
C        11.9406935017        9.6122867855       18.3860915228
C        13.4613456292        9.6598266919       13.5801620303
C         9.1747217798       13.6663855137       16.2062018308
C         7.8842854446       14.1796303586       16.4005587905
C         7.6072515287       15.1110907901       17.4078103816
C         8.6109136495       15.5708012359       18.2558975908
C         9.9098412136       15.0877426821       18.0602175161
C        10.1866243711       14.1639896088       17.0511329183
C         6.2022157852       15.6049066455       17.5555468367
C        10.9852477052       15.5882426480       18.9746092835
F        12.8406505915        8.5868787521       18.4981501081
F        12.3425052473       10.6386784876       19.2265250749
F        14.4287164207        8.8023693315       14.0466789272
F        12.7974818784        9.0013515011       12.5752021137
F        14.0844650976       10.7169798449       12.9521575777
F         6.0135347491       16.3725246344       18.6575800156
F         5.8130154557       16.3739893820       16.4825365989
F         5.3022362466       14.5745934685       17.6080256380
F        10.5529828030       15.5835481615       20.2818899493
F        12.1318355769       14.8608526230       18.9361138563
F        11.3469055061       16.8845304657       18.7137667421
F        10.7697612301        9.1499674912       18.9343129663
H        10.1947928423       11.4284802276       17.4502167817
H        13.4041122988        8.8474479225       16.2044305410
H        11.5386793388       11.4845895134       13.3628759458
H         7.0684223433       13.8400413073       15.7626422618
H         8.3864646268       16.2745509687       19.0506109460
H        11.2089228174       13.8103777280       16.9293767738
F         8.3966744683        9.0820110923       11.2410520828
F         6.2651265345        8.5761786279       11.4643966582
F         8.4807932729       15.6505681729        9.6820255645
F         4.5996513737        8.7910568777       15.9751892913
F         7.6870287429       16.9359856870       11.2482291509
F        13.0224480604       16.3724512195       11.3031829945
F         6.9104191176       14.8730475673       11.0226465914
F         4.8874438295       10.7162939333       17.0130921384
C        11.4253408735       15.1145744152       12.5543304833
F         6.8423346268       10.5729326941       10.7291538445
C        10.4217078787       15.5950903190       11.7165099171
H        10.6489673110       16.3105550075       10.9324212352
F         6.2391512758        9.0081909426       17.3921641653
C         8.1696295138       11.0782268817       13.3429740495
H         8.8375721658       11.4195211664       12.5527172037
C         9.8513773131       13.6616065282       13.7473048015
C         8.2881570015       11.6262484019       14.6313577102
C        11.1445411326       14.1697855233       13.5497029982
H        11.9609216411       13.8172651602       14.1796192616
C         8.8418464887       14.1766821565       12.9050610521
H         7.8176588103       13.8270109173       13.0230646410
F        13.2226109861       16.3742124780       13.4780642245
C         7.4072054738       11.1261610708       15.6062288965
H         7.4618306846       11.5058030732       16.6261992842
C         6.3499544420        9.6133018784       14.0182879151
H         5.6059707094        8.8602968555       13.7818467247
C         9.1197282012       15.1162745681       11.9063768370
C         7.2225718283       10.0963055769       13.0400515785
C         6.4547148041       10.1442144629       15.3069658919
C         8.0468731423       15.6293517974       10.9889444551
C         7.1705771305        9.5804537683       11.6339565951
C        12.8335201665       15.6060026754       12.4069594431
F        13.7325381727       14.5745861989       12.3516790232
C         5.5485769499        9.6676290609       16.4051360990
B        -0.0850253940        4.0749505955       14.9916573751
C         1.1269675560        3.0401919384       15.3637792688
C         1.2549371861        2.4989564576       16.6592132252
C         2.1993997168        1.5109873699       16.9630188644
C         3.0556870759        1.0193152373       15.9707671072
C         2.9469343926        1.5456579778       14.6796267653
C         1.9977938511        2.5317352941       14.3848684098
C         2.3421228359        1.0351335924       18.3863203648
C         3.8620647535        1.0829607267       13.5802415768
C        -0.4170971537        5.0990784520       16.2144078925
C        -1.7102391289        5.6046179706       16.4105670620
C        -1.9897805350        6.5418300197       17.4110187751
C        -0.9864449307        7.0186465856       18.2504568276
C         0.3159253521        6.5448294983       18.0559947450
C         0.5941118733        5.6112079561       17.0533828444
C        -3.3967731492        7.0291580704       17.5571467668
C         1.3899762259        7.0542754720       18.9712669432
F         3.2417076671        0.0093724225       18.4978418341
F         2.7435244177        2.0613681556       19.2269758514
F         4.8295294915        0.2252545832       14.0466946454
F         3.1985138344        0.4239626202       12.5752987665
F         4.4854543567        2.1396928982       12.9520921008
F        -3.5862868501        7.7957263060       18.6594366871
F        -3.7861504259        7.7968279470       16.4830655576
F        -4.2958266589        5.9975486033       17.6080459946
F         0.9551553016        7.0738266771       20.2782214570
F         2.5259077786        6.2960919222       18.9374440755
F         1.7503813888        8.3589264226       18.7124024652
F         1.1708909720        0.5726838800       18.9341914667
H         0.6033179019        2.8596037493       17.4544252461
H         3.8020029260        0.2677109794       16.2031764518
H         1.9409822553        2.9118055653       13.3649820804
H        -2.5264660222        5.2547718367       15.7787753820
H        -1.2143095044        7.7273169583       19.0395326011
H         1.6178484588        5.2617594124       16.9313488800
F        -1.2020729426        0.5047252308       11.2411694879
F        -3.3333780387       -0.0006211327       11.4649673458
F        -1.1181119604        7.0730676095        9.6822356782
F        -4.9989070459        0.2138219645       15.9751084292
F        -1.9119502730        8.3585085003       11.2482321229
F         3.4236227523        7.7950489813       11.3029767592
F        -2.6884618370        6.2955386053       11.0227220560
F        -4.7114945155        2.1389083628       17.0132545574
C         1.8264866042        6.5381880863       12.5546977879
F        -2.7564647946        1.9956739278       10.7294294992
C         0.8228539663        7.0170700011       11.7159833221
H         1.0501416223        7.7307702531       10.9302972192
F        -3.3597548463        0.4306966383       17.3923664691
C        -1.4265492452        2.5039898617       13.3467685289
H        -0.7581673425        2.8459077251       12.5570524550
C         0.2525597609        5.0892988327       13.7521658067
C        -1.3087630072        3.0525386815       14.6361214209
C         1.5458210941        5.5962065425       13.5525648338
H         2.3623651864        5.2448920294       14.1829555635
C        -0.7573075928        5.6025962493       12.9090471822
H        -1.7816658443        5.2539003149       13.0286640969
F         3.6237464928        7.7968739027       13.4779578241
C        -2.1908490585        2.5507773069       15.6093514932
H        -2.1377755126        2.9295245707       16.6297513450
C        -3.2462358803        1.0378473073       14.0195504715
H        -3.9900233530        0.2847340076       13.7825417328
C        -0.4792955460        6.5393739463       11.9075004112
C        -2.3733354737        1.5213972388       13.0417096930
C        -3.1427444888        1.5683054689       15.3084337922
C        -1.5520077902        7.0518090354       10.9892473449
C        -2.4272724051        1.0041438489       11.6348648931
C         3.2347158731        7.0287610302       12.4067945637
F         4.1335728820        5.9971706573       12.3516351857
C        -4.0499147591        1.0904984507       16.4054469558
C         8.5202364357        1.0010936730       14.1272963116
C         8.4974671286        1.3434234275       15.5885270089
C         9.6822234025        1.4487926108       16.3237740020
C        11.0185228257        0.9248871060       15.8640494629
C         8.8513642475        4.6892860916       11.8953812375
C         7.3492593211        4.4528122091       12.1594932270
C         6.6135518960        4.1229328280       10.8500569427
C         6.8002694058        5.2365214539        9.8107041713
C         8.2882780375        5.5232866518        9.5645406249
C         9.0517188006        5.8191955870       10.8697708254
C        11.5861303233        4.9764460543       12.9462846509
C        12.0755359111        3.5755725371       12.5305665939
C        13.5178015297        3.6206305526       12.0059044276
C        14.4635138527        4.2430871755       13.0404871386
C        13.9749580578        5.6284317562       13.4815892853
C        12.5269575668        5.5825234372       14.0054752671
C         9.3969027927        6.5514629990       14.1948524799
H         9.2659018105        3.7566270161       11.4742777073
H        11.6011107730        5.6358539284       12.0625145747
H         7.2124405755        3.6464121143       12.8958228601
H         6.9063505834        5.3565692898       12.6054438408
H         6.9983834845        3.1725681183       10.4494212278
H         5.5457976127        3.9617905404       11.0548892524
H         6.3020136912        6.1520313054       10.1620074112
H         6.3093343212        4.9592172461        8.8664008448
H         8.4035414761        6.3785799517        8.8817326115
H         8.7461516180        4.6536367191        9.0678197690
H        10.1163404148        5.9662645679       10.6456107500
H         8.6875998927        6.7625707600       11.2959191498
H        11.4156411183        3.1423020473       11.7703347187
H        12.0214557035        2.9150038679       13.4115686745
H        13.8465416893        2.6058951740       11.7384143814
H        13.5482849745        4.2085304514       11.0759370671
H        15.4785785684        4.3072027057       12.6241971900
H        14.5319798078        3.5826128135       13.9170175392
H        14.0300114302        6.3274258517       12.6341442328
H        14.6303418887        6.0430536210       14.2619110575
H        12.4821570058        4.9720671590       14.9202301431
H        12.2055160445        6.5979800245       14.2768872375
H         9.9949013330        7.3413934489       13.7183115692
H         8.3449797556        6.7499742162       13.9480308611
P         9.8061226538        4.8881731368       13.4789065744
Rh        9.3296088690        3.2192986666       14.9644037019
P         9.1332568012        4.8571472177       16.4404786150
C         6.4105624929        5.2952622627       15.8540810529
H         6.5021287459        4.4232913545       15.1874083090
H         6.6927927640        6.1761357429       15.2594823119
C         7.3844081611        5.1156384835       17.0370942333
H         7.4095176052        6.0571468612       17.6119283518
C        10.1319425972        4.6765856024       17.9965003561
H         9.7300371078        3.7513232832       18.4416395212
C         6.9403993532        3.9781169337       17.9757913169
H         7.5859491951        3.9428821275       18.8623829755
H         7.0660549827        3.0148780211       17.4593787464
C        11.6268675689        4.4351449644       17.7120469864
H        11.7450546286        3.6315344037       16.9707682299
H        12.0709927805        5.3403344943       17.2699688872
C        12.2023908429        5.2126737709       20.0572417801
H        12.7094914415        6.1222477121       19.7029862956
H        12.6955998953        4.9301136837       20.9991133825
C         4.9540070995        5.4366936531       16.3269557958
H         4.8369943594        6.3704170200       16.8952440328
H         4.2987141181        5.5259153497       15.4474038619
C         9.9504566034        5.8212678615       19.0126447586
H         8.8894734823        5.9831829961       19.2440211198
H        10.3241567649        6.7584362512       18.5781346189
C         4.5426426127        4.2493502963       17.2030162540
H         3.5028168371        4.3518011697       17.5406970188
H         4.5810486827        3.3240196915       16.6100024872
C        10.7199943075        5.5202908628       20.3138858402
H        10.6216449979        6.3784990991       20.9958472550
H        10.2525621181        4.6586916951       20.8161479931
C        12.3721974998        4.0977326280       19.0149744884
H        11.9842686526        3.1492226746       19.4175002400
H        13.4373674289        3.9299837825       18.8026030464
C         5.4751686540        4.1281470536       18.4126367758
H         5.1922892115        3.2693224550       19.0378909888
H         5.3712193955        5.0230750196       19.0442978371
C         9.6056282279        6.5171066586       15.7189801414
H         9.0397731985        7.3132317295       16.2239102607
H        10.6656622734        6.6694095033       15.9643363736
C        18.1077518446        9.5839085213       14.1243991110
C        18.0927870375        9.9252583390       15.5860481717
C        19.2814533761       10.0317653332       16.3148559606
C        20.6158581835        9.5101429242       15.8471267413
C        18.4440575920       13.2687165909       11.8906129935
C        16.9422587077       13.0303553870       12.1549228466
C        16.2067484587       12.6986818886       10.8459362218
C        16.3917737676       13.8121870773        9.8062796234
C        17.8794830267       14.0994282335        9.5588188198
C        18.6433938582       14.3972704908       10.8633591849
C        21.1780739073       13.5592046318       12.9445767685
C        21.6687185787       12.1577600073       12.5320200282
C        23.1122503728       12.2020067258       12.0107688687
C        24.0556549201       12.8252258313       13.0469752731
C        23.5662659922       14.2113495062       13.4847401622
C        22.1167525869       14.1671481968       14.0046165679
C        18.9861191974       15.1342085390       14.1894228563
H        18.8602367516       12.3359972703       11.4712662512
H        21.1940376499       14.2171983003       12.0597654839
H        16.8066694584       12.2242023203       12.8917323016
H        16.4981199203       13.9336864889       12.6004624865
H        16.5928544631       11.7487208959       10.4455713003
H        15.1393202947       12.5360080230       11.0512146715
H        15.8934761336       14.7274905314       10.1580816155
H        15.8999862675       13.5346253643        8.8625474947
H        17.9938589204       14.9540429153        8.8750120447
H        18.3373631155       13.2293944867        9.0627459214
H        19.7079101512       14.5445593207       10.6386906325
H        18.2789252321       15.3409905686       11.2883069370
H        21.0106473329       11.7232152340       11.7709250343
H        21.6126605874       11.4985620627       13.4138669978
H        23.4414840637       11.1870251297       11.7448732667
H        23.1450631363       12.7892625813       11.0804696529
H        25.0717510146       12.8887454693       12.6330512919
H        24.1219324316       12.1658159729       13.9244948174
H        23.6241395070       14.9090214346       12.6363911532
H        24.2194205783       14.6269832257       14.2663678485
H        22.0693360727       13.5586928978       14.9205253001
H        21.7949950674       15.1833170587       14.2729749215
H        19.5826180074       15.9247987477       13.7121036162
H        17.9337718940       15.3309090979       13.9428982392
P        19.3972405018       13.4709071556       13.4746083035
Rh       18.9203598529       11.8027477095       14.9599976459
P        18.7263848398       13.4405202389       16.4362504782
C        16.0031461015       13.8705107928       15.8509494836
H        16.0986776864       12.9976069782       15.1859991553
H        16.2820468046       14.7512994183       15.2546462671
C        16.9777215667       13.6971973361       17.0344680584
H        17.0010239731       14.6406747827       17.6061328943
C        19.7268076245       13.2598315601       17.9911292750
H        19.3250747806       12.3342744790       18.4358713473
C        16.5375969064       12.5616376958       17.9774443653
H        17.1826357810       12.5328595235       18.8646822144
H        16.6677335971       11.5967669799       17.4652045989
C        21.2215975844       13.0184602431       17.7059994442
H        21.3395350416       12.2160822020       16.9633623553
H        21.6657566535       13.9244178929       17.2655220602
C        21.7973097290       13.7910984322       20.0530758164
H        22.3053040907       14.7011003735       19.7012724559
H        22.2898837959       13.5058673976       20.9944896778
C        14.5456621755       14.0063689488       16.3223376168
H        14.4232011975       14.9411542852       16.8877520764
H        13.8907220429       14.0894005239       15.4419233279
C        19.5464244247       14.4035865888       19.0084462881
H        18.4856512896       14.5672117446       19.2395384794
H        19.9220782634       15.3405515564       18.5752463511
C        14.1398728618       12.8193207925       17.2012954311
H        13.0990276042       12.9164451492       17.5371294946
H        14.1848588051       11.8925516625       16.6110213587
C        20.3149796571       14.0993703397       20.3095796016
H        20.2169335247       14.9562228395       20.9932698380
H        19.8465149597       13.2371152510       20.8098081004
C        21.9670177478       12.6784468878       19.0082641911
H        21.5792276655       11.7289576635       19.4086356862
H        23.0322211968       12.5112340494       18.7954935901
C        15.0713845619       12.7070859003       18.4124540712
H        14.7917289258       11.8493845692       19.0406992646
H        14.9627262108       13.6039254758       19.0405920865
C        19.1954295334       15.1011543232       15.7136244707
H        18.6275940496       15.8961596538       16.2181263158
H        20.2551067900       15.2563397993       15.9587009346
C         8.5677951500       16.1531021126        4.1416749467
C         8.5478193759       15.8100494427        5.6027847077
C         9.7339721212       15.7041333298        6.3358092348
C        11.0690671972       16.2295021895        5.8741885060
C         8.8995339015       12.4664107231        1.9060469371
C         7.3975180545       12.7042132180        2.1696766430
C         6.6622039966       13.0341929813        0.8600413796
C         6.8483777856       11.9202678500       -0.1790115117
C         8.3363277326       11.6332592445       -0.4252628430
C         9.0994948440       11.3367824164        0.8800054872
C        11.6338069848       12.1762981215        2.9587601771
C        12.1249859333       13.5773978218        2.5457451866
C        13.5684296146       13.5323670615        2.0243919445
C        14.5114859551       12.9088051392        3.0606945568
C        14.0216934003       11.5227679223        3.4982228623
C        12.5724241976       11.5677363292        4.0185163740
C         9.4424422552       10.6024602212        4.2052749614
H         9.3152316421       13.3988630826        1.4857081311
H        11.6492078323       11.5180834578        2.0741122630
H         7.2612037090       13.5111610583        2.9055031098
H         6.9536329119       11.8011394451        2.6159991344
H         7.0476118237       13.9841859893        0.4591038163
H         5.5945382460       13.1960719143        1.0647354382
H         6.3499885636       11.0049407699        0.1725880781
H         6.3572819971       12.1973900202       -1.1232510315
H         8.4514948406       10.7781454036       -1.1083289695
H         8.7943024181       12.5030424291       -0.9216911316
H        10.1641188692       11.1893739888        0.6559484217
H         8.7349348366       10.3933874357        1.3057012225
H        11.4669795181       14.0117972530        1.7845441515
H        12.0691451779       14.2369051699        3.4273966665
H        13.8981814347       14.5471689714        1.7583907606
H        13.6009186577       12.9450496174        1.0941251585
H        15.5277188508       12.8452404819        2.6471419867
H        14.5774741999       13.5680101604        3.9383892183
H        14.0788398593       10.8252213976        2.6496887121
H        14.6749495587       11.1066469827        4.2795130893
H        12.5255807439       12.1761587480        4.9345166546
H        12.2500786548       10.5517701179        4.2868402857
H        10.0385138950        9.8117445609        3.7276271197
H         8.3899590624       10.4058695448        3.9594391493
P         9.8533509968       12.2656752641        3.4899787048
Rh        9.3785103482       13.9342309600        4.9765054804
P         9.1831042861       12.2956584188        6.4521374556
C         6.4608052416       11.8633377597        5.8649297549
H         6.5558112409       12.7361325164        5.1997584214
H         6.7411544545       10.9826714818        5.2691984989
C         7.4342615017       12.0381750220        7.0490626968
H         7.4577858791       11.0951462655        7.6214759331
C        10.1826059739       12.4756141974        8.0076218725
H         9.7803726590       13.4007091234        8.4528497443
C         6.9924599697       13.1740200976        7.9908400745
H         7.6369154804       13.2041795160        8.8784241077
H         7.1219666839       14.1386022963        7.4779183066
C        11.6773889638       12.7178856772        7.7232008948
H        11.7951634818       13.5204471150        6.9807357995
H        12.1222448043       11.8123254649        7.2825981642
C        12.2525674897       11.9449812199       10.0703263625
H        12.7617224276       11.0355717131        9.7188492308
H        12.7441584372       12.2306339480       11.0121218653
C         5.0032999592       11.7257049995        6.3355398155
H         4.8819863336       10.7911389442        6.9015521666
H         4.3489770458       11.6411496736        5.4547938415
C        10.0023788265       11.3312947067        9.0243384874
H         8.9415830928       11.1672777291        9.2551030062
H        10.3782964753       10.3945719790        8.5908371054
C         4.5954708366       12.9128189320        7.2134547052
H         3.5546028316       12.8144608869        7.5488423507
H         4.6393363411       13.8391833355        6.6224744681
C        10.7703821577       11.6352027682       10.3258798223
H        10.6728366993       10.7777644560       11.0088919679
H        10.3010001697       12.4966974937       10.8265264766
C        12.4219822477       13.0579912613        9.0258757504
H        12.0332218477       14.0070334780        9.4263125984
H        13.4871583028       13.2260738046        8.8136723334
C         5.5261454686       13.0275106906        8.4250519712
H         5.2451069973       13.8856042663        9.0521169159
H         5.4181067337       12.1312475362        9.0541512035
C         9.6528207036       10.6355405206        5.7292619395
H         9.0860270660        9.8400555586        6.2341543288
H        10.7128068198       10.4812852100        5.9735504987
C        18.1706346460        7.5854813496        4.1411921861
C        18.1503280788        7.2417596861        5.6020746565
C        19.3363623155        7.1344637196        6.3348374334
C        20.6719348344        7.6589382708        5.8737803244
C        18.4999457296        3.9013716380        1.8979773219
C        16.9986166562        4.1424678690        2.1620938047
C        16.2627252928        4.4689748547        0.8520245509
C        16.4472247328        3.3521811005       -0.1842555179
C        17.9346522278        3.0624573437       -0.4301779371
C        18.6970208510        2.7676056338        0.8757708244
C        21.2342676717        3.6214459467        2.9453101307
C        21.7237768038        5.0263805702        2.5428087135
C        23.1636942652        4.9834002537        2.0112916073
C        24.1132864103        4.3469477397        3.0340010569
C        23.6230411723        2.9589267862        3.4652103956
C        22.1774440771        3.0039837317        3.9957222035
C        19.0499972456        2.0372462686        4.1931251470
H        18.9171382395        4.8316315442        1.4739329662
H        21.2477318767        2.9714331349        2.0546221590
H        16.8641856438        4.9521803882        2.8951657927
H        16.5540066607        3.2416150983        2.6121739417
H        16.6486305162        5.4175538296        0.4482207527
H        15.1953275859        4.6323715821        1.0569266751
H        15.9477707755        2.4382982283        0.1696830808
H        15.9562377676        3.6277674379       -1.1289847028
H        18.0486110717        2.2057604357       -1.1114502043
H        18.3940693188        3.9305387662       -0.9283716748
H        19.7612145709        2.6162391357        0.6521515261
H        18.3296006492        1.8265056498        1.3043811931
H        21.0613346563        5.4697141906        1.7899995897
H        21.6745738309        5.6773366310        3.4311604935
H        23.4939950388        6.0001142538        1.7534647111
H        23.1880238725        4.4057391120        1.0747896892
H        25.1253765654        4.2830962611        2.6104068447
H        24.1899490730        4.9985169679        3.9165045707
H        23.6724186337        2.2667762397        2.6117352702
H        24.2809696969        2.5360283637        4.2389846337
H        22.1377090525        3.6063756214        4.9160661605
H        21.8547129658        1.9869054718        4.2593918069
H        19.6478279743        1.2494175334        3.7129389627
H        17.9977849205        1.8383604131        3.9477111685
P        19.4551414138        3.7031612045        3.4810770961
Rh       18.9795354073        5.3667890381        4.9717406816
P        18.7884069964        3.7245401184        6.4439842576
C        16.0666584484        3.2862493791        5.8575302578
H        16.1597919378        4.1589047104        5.1919142519
H        16.3483801546        2.4057225742        5.2621367417
C        17.0403012128        3.4630014579        7.0411939685
H        17.0660568162        2.5198399301        7.6132589018
C        19.7879232916        3.9017243549        7.9996690023
H        19.3868446404        4.8267694338        8.4460600204
C        16.5966948112        4.5977132163        7.9836152677
H        17.2416293693        4.6290305036        8.8708703412
H        16.7238252424        5.5626960507        7.4708592210
C        21.2831193966        4.1422041169        7.7158268231
H        21.4023109200        4.9461638006        6.9750459764
H        21.7266899761        3.2368966999        7.2734084796
C        21.8558174248        3.3647735762       10.0625191179
H        22.3631973238        2.4546488804        9.7101660339
H        22.3477535499        3.6483488392       11.0047761177
C        14.6095723311        3.1460325894        6.3288123543
H        14.4901788637        2.2109919394        6.8944195317
H        13.9550477779        3.0605372819        5.4483451491
C        19.6055323656        2.7562566326        9.0148372788
H        18.5443467950        2.5933386241        9.2446946404
H        19.9806098044        1.8195937737        8.5803751402
C        14.1997444379        4.3319054765        7.2075216600
H        13.1592840135        4.2309622625        7.5434840367
H        14.2412247289        5.2586798310        6.6169837412
C        20.3729223642        3.0577399749       10.3172381755
H        20.2731215379        2.2001385928       10.9997421058
H        19.9046957891        3.9198662797       10.8179535556
C        22.0279032776        4.4787310076        9.0194058923
H        21.6409967335        5.4280539368        9.4210013550
H        23.0935191480        4.6448061450        8.8079181520
C        15.1309167565        4.4479434577        8.4186329831
H        14.8484586251        5.3051271952        9.0463495560
H        15.0250356151        3.5512187430        9.0474587968
C        19.2616802865        2.0673771607        5.7168979036
H        18.6976947814        1.2691692006        6.2206204532
H        20.3223837473        1.9156461918        5.9596961724
H         9.6357656950       15.5296051261        7.4077281092
H         7.5834558480       15.7470677630        6.1039802094
H         7.5633756368       16.2924177401        3.7289593100
H         9.0187876378       15.3080293903        3.5047840329
H         9.2006849206       17.0178262069        3.8983088690
H        11.1289222034       17.3156025036        6.0596153928
H        11.2470227736       16.0837625614        4.8000941545
H        11.8946491023       15.7613770198        6.4211265705
H         7.5322687061        1.4056959716       16.0881362906
H         9.5821741163        1.6223886470       17.3956290477
H         7.5167346151        0.8621228956       13.7122823686
H         9.1536585557        0.1366083415       13.8849096159
H         8.9726664005        1.8464528304       13.4916220611
H        11.8425514614        1.3906979136       16.4153931937
H        11.1998887291        1.0754076578       14.7911657463
H        11.0774550115       -0.1620236165       16.0446368238
H        17.1858354705        7.1786063647        6.1029254958
H        19.2380492342        6.9584940685        7.4064657427
H        21.4968878492        7.1883533054        6.4194871213
H        20.8493580102        7.5140300964        4.7995811974
H        20.7335012078        8.7447705866        6.0606006166
H        17.1665473040        7.7252599958        3.7279704397
H        18.8044282383        8.4495208304        3.8981304695
H        18.6215259863        6.7402640309        3.5036193513
H        17.1302616102        9.9856667847       16.0910669362
H        19.1874163521       10.2044088230       17.3874004827
H        20.6798897655        8.4242050021       16.0322477796
H        20.7882259112        9.6558754535       14.7720560428
H        21.4427275927        9.9809238529       16.3900282748
H        17.1019787104        9.4455961639       13.7146917571
H        18.7393960536        8.7190796232       13.8782390142
H        18.5575533637       10.4291783973       13.4872443374
632
SCF Energy = -4406.9722395541 (a.u.)
Lowest Frequencies = i496.038129  16.751191  19.213056 (cm^-1)
TS(III-IV) / [1-(2-butene)][BArF4]
B         9.5706346831        4.5153507041        5.0057708811
C        10.7824154855        5.5520627284        5.3868256334
C        10.9144554249        6.0964949005        6.6814709695
C        11.8643819607        7.0822601538        6.9862558080
C        12.7203773409        7.5700385251        5.9925808831
C        12.6055178826        7.0417273023        4.7009189571
C        11.6540731578        6.0582940954        4.4079732112
C        12.0002731085        7.5484472603        8.4164101677
C        13.5169978124        7.4970744694        3.5957146982
C         9.2305609603        3.4934473595        6.2255827879
C         7.9401828994        2.9780266827        6.4165560158
C         7.6617155821        2.0451640438        7.4223714638
C         8.6642892535        1.5853994793        8.2718998574
C         9.9630532036        2.0698123072        8.0792324866
C        10.2408266708        2.9957924798        7.0723306847
C         6.2565745849        1.5501077597        7.5690170217
C        11.0380385449        1.5670067901        8.9930064408
F        12.8956313523        8.5692903471        8.5784338817
F        12.3947441449        6.5104460853        9.2437295164
F        14.4845584619        8.3533398062        4.0599434307
F        12.8516576887        8.1532814727        2.5894889118
F        14.1380457821        6.4383891866        2.9666686177
F         6.0676535169        0.7824756064        8.6709876149
F         5.8672678842        0.7810656733        6.4960913192
F         5.3563129267        2.5803288065        7.6215346629
F        10.6083002084        1.5720596416       10.2998513502
F        12.1859983809        2.2942246378        8.9496976546
F        11.4005916851        0.2715120500        8.7278431476
F        10.8207412032        8.0043634126        8.9490375293
H        10.2619156774        5.7394721829        7.4774381013
H        13.4695710214        8.3195287439        6.2237249363
H        11.5964316315        5.6778115480        3.3883155611
H         7.1253345077        3.3171640807        5.7772005534
H         8.4393483903        0.8795077273        9.0647361886
H        11.2630607624        3.3503004921        6.9532263301
F         8.4508720476        8.0725911753        1.2543274616
F         6.3192805938        8.5784787202        1.4780373560
F         8.5355334765        1.5044574932       -0.3030547801
F         4.6537968157        8.3639803386        5.9887097553
F         7.7412657811        0.2195356480        1.2623893447
F        13.0762497168        0.7828387220        1.3178772443
F         6.9644775750        2.2822651494        1.0362059660
F         4.9414910248        6.4387091553        7.0265830412
C        11.4800012448        2.0417684264        2.5713249812
F         6.8963913210        6.5817809075        0.7428019619
C        10.4748821262        1.5601274248        1.7359873187
H        10.7014377573        0.8437260040        0.9525745528
F         6.2931308061        8.1467190795        7.4057186475
C         8.2292957452        6.0812210848        3.3593760114
H         8.8989599309        5.7408694171        2.5701900191
C         9.9094666960        3.4980446880        3.7654185470
C         8.3475273142        5.5340739625        4.6483241721
C        11.2019000943        2.9884749086        3.5660424362
H        12.0197991766        3.3410453183        4.1940368075
C         8.8982471337        2.9826153002        2.9235099408
H         7.8746897785        3.3340166220        3.0418482196
F        13.2767755550        0.7805238838        3.4923245407
C         7.4628454331        6.0311380935        5.6210942412
H         7.5160868185        5.6506667947        6.6405753800
C         6.4044374746        7.5412733288        4.0315992411
H         5.6589820037        8.2926026819        3.7940264306
C         9.1734229907        2.0409189594        1.9249067499
C         7.2789730590        7.0595668495        3.0543314976
C         6.5089579309        7.0111102659        5.3206176935
C         8.1014613516        1.5270893638        1.0043899820
C         7.2252848856        7.5743694285        1.6476291192
C        12.8876521110        1.5492113047        2.4215690837
F        13.7868554844        2.5805047679        2.3653407512
C         5.6024855992        7.4873954619        6.4184500560
B        -0.0333345779       13.0861812812        4.9994954419
C         1.1780176000       14.1198961303        5.3748666453
C         1.3048164282       14.6616139236        6.6703355475
C         2.2527574544       15.6455940256        6.9760093974
C         3.1116513704       16.1348698651        5.9848669124
C         3.0016207693       15.6102631825        4.6932074968
C         2.0509160724       14.6263324265        4.3971433460
C         2.3959737881       16.1200797824        8.3998654915
C         3.9165353644       16.0722394006        3.5938173358
C        -0.3702707748       12.0663360661        6.2208289056
C        -1.6607043217       11.5531869935        6.4150236396
C        -1.9375557721       10.6211769966        7.4219044186
C        -0.9338605869       10.1608204417        8.2695454214
C         0.3649534566       10.6441119567        8.0740785174
C         0.6416385111       11.5683931908        7.0655025101
C        -3.3425082555       10.1276323200        7.5695495940
C         1.4403761917       10.1439967249        8.9884261531
F         3.2957301920       17.1455927201        8.5113885829
F         2.7975352855       15.0937413654        9.2402715274
F         4.8837302499       16.9300848860        4.0602236790
F         3.2525567280       16.7309793883        2.5888225637
F         4.5395980857       15.0153575416        2.9656547860
F        -3.5314296415        9.3597717129        8.6713728630
F        -3.7316843189        9.3583024618        6.4963532083
F        -4.2427360753       11.1577439446        7.6216278772
F         1.0081415999       10.1487514369       10.2956119425
F         2.5867977248       10.8713838082        8.9497586389
F         1.8020140256        8.8475752401        8.7273185586
F         1.2248721008       16.5823617338        8.9478427899
H         0.6499542416       14.3041840197        7.4643992701
H         3.8601783196       16.8838122821        6.2183361742
H         1.9941610634       14.2465936445        3.3771293959
H        -2.4766090895       11.8929639905        5.7772970917
H        -1.1581511585        9.4567589633        9.0640131397
H         1.6639372962       11.9221812104        6.9440053274
F        -1.1482512500       16.6503217003        1.2546745795
F        -3.2797573680       17.1560574587        1.4780626918
F        -1.0640817846       10.0819660192       -0.3043635513
F        -4.9452255784       16.9410668683        5.9887143553
F        -1.8577671409        8.7968561845        1.2617285197
F         3.4774503873        9.3600372216        1.3170143410
F        -2.6345524540       10.8594549890        1.0362620625
F        -4.6574989333       15.0159716275        7.0266351136
C         1.8808556605       10.6188929988        2.5681553392
F        -2.7026010150       15.1592832396        0.7427890801
C         0.8776902954       10.1412762561        1.7284613643
H         1.1055355704        9.4285323119        0.9428010299
F        -3.3058130217       16.7241570794        7.4058817824
C        -1.3742010472       14.6543020477        3.3572669408
H        -0.7062076542       14.3126957481        2.5670982946
C         0.3068617118       12.0703270556        3.7625490029
C        -1.2551354248       14.1070528800        4.6460319090
C         1.5999924070       11.5616427420        3.5655603453
H         2.4161043152       11.9123733738        4.1970806550
C        -0.7026913629       11.5556576304        2.9199910547
H        -1.7269813040       11.9044541295        3.0393406592
F         3.6776366956        9.3581848120        3.4916622486
C        -2.1354366265       14.6078608152        5.6210638362
H        -2.0801564416       14.2288526097        6.6412897353
C        -3.1951051529       16.1177960841        4.0320386298
H        -3.9398782736       16.8698880592        3.7954908007
C        -0.4247025831       10.6179113387        1.9195653150
C        -2.3221229580       15.6353579003        3.0537965269
C        -3.0893318241       15.5883364448        5.3211265099
C        -1.4977835504       10.1039786807        1.0025557565
C        -2.3743564938       16.1515355466        1.6475401684
C         3.2887306152       10.1268633411        2.4205068171
F         4.1878687968       11.1579033445        2.3652211889
C        -3.9961600749       16.0647745982        6.4188451290
B         9.5125034092       12.6640007656       15.0082517497
C        10.7234743871       11.6204571397       15.3688243127
C        10.8482968102       11.0698830167       16.6606871034
C        11.7964392929       10.0855047601       16.9630579007
C        12.6541910005        9.5977898265       15.9703156110
C        12.5442648728       10.1265653914       14.6800773744
C        11.5966249281       11.1162008344       14.3888298604
C        11.9407836382        9.6115598389       18.3866470834
C        13.4599989388        9.6627407277       13.5808349418
C         9.1844789668       13.6742114679       16.2504491191
C         7.8987609333       14.2047149237       16.4326985593
C         7.6131933790       15.1176234823       17.4552241154
C         8.6063486082       15.5402719163       18.3383516755
C         9.9049303443       15.0463151020       18.1586367724
C        10.1858456860       14.1413964261       17.1285380369
C         6.2034213293       15.6121390864       17.5864299376
C        10.9786599658       15.5062899502       19.1069298430
F        12.8408425598        8.5864344468       18.4982271795
F        12.3425047400       10.6382193542       19.2264812970
F        14.4277547000        8.8039075288       14.0469344798
F        12.7972342173        9.0014975846       12.5755493081
F        14.0842700561       10.7173955776       12.9518897166
F         6.0115603082       16.3665248520       18.7086879247
F         5.8169321920       16.3734971126       16.4992474537
F         5.3042925554       14.5772606886       17.6117468325
F        10.5523146353       15.4374597925       20.4190506750
F        12.1290647880       14.7885675960       19.0125613966
F        11.3436098823       16.8152131560       18.9337878094
F        10.7697025721        9.1496754644       18.9344999478
H        10.1923483325       11.4216399530       17.4561880776
H        13.4026857683        8.8479009459       16.2016759371
H        11.5426719350       11.5025114029       13.3711842735
H         7.0906353995       13.8919001288       15.7715497710
H         8.3730847537       16.2246038676       19.1477079641
H        11.2056704036       13.7781666335       17.0161785529
F         8.3969498606        9.0829899415       11.2416596801
F         6.2663397582        8.5779890334       11.4658886626
F         8.4810598606       15.6504405628        9.6833111452
F         4.6003260711        8.7914985180       15.9750690479
F         7.6860673625       16.9350539935       11.2484908296
F        13.0222030585       16.3721124284       11.3034429151
F         6.9104667326       14.8726931158       11.0229550963
F         4.8870455928       10.7165744607       17.0136699278
C        11.4255361244       15.1142828929       12.5571151526
F         6.8425045342       10.5734451656       10.7297372873
C        10.4233940684       15.5844412272       11.7119103335
H        10.6531188088       16.2863928459       10.9163500128
F         6.2391620944        9.0082175946       17.3923852589
C         8.1722024288       11.0909654771       13.3528305627
H         8.8410311868       11.4355286467       12.5646799075
C         9.8482758995       13.6821373784       13.7702826347
C         8.2868955875       11.6407218036       14.6437595384
C        11.1422749407       14.1853244843       13.5668015859
H        11.9575591091       13.8403469239       14.2022930159
C         8.8389797336       14.1922201297       12.9237747324
H         7.8136666017       13.8476899210       13.0470251223
F        13.2224614855       16.3743685688       13.4781549208
C         7.4028992094       11.1367749914       15.6140281520
H         7.4509304334       11.5168621651       16.6343011903
C         6.3563198320        9.6185056875       14.0220601912
H         5.6149959508        8.8629503427       13.7846384751
C         9.1189790017       15.1171884914       11.9117548380
C         7.2283525205       10.1048672693       13.0444762769
C         6.4559686782       10.1498010116       15.3107239365
C         8.0470340377       15.6288618668       10.9915500689
C         7.1724307071        9.5844235178       11.6368638866
C        12.8330030491       15.6047067294       12.4068648894
F        13.7329037997       14.5743535163       12.3517448159
C         5.5487288363        9.6689334113       16.4060530247
B        -0.0848479463        4.0745439437       14.9920222513
C         1.1263298564        3.0386123540       15.3632955789
C         1.2549305381        2.4978788713       16.6588352054
C         2.2000333841        1.5105016255       16.9627854800
C         3.0563972031        1.0187825075       15.9706390246
C         2.9466361473        1.5441199075       14.6791746117
C         1.9968250457        2.5295178091       14.3842936741
C         2.3422223213        1.0347497056       18.3860386597
C         3.8631452858        1.0818487137       13.5802648179
C        -0.4160505304        5.0984103227       16.2154387265
C        -1.7088333869        5.6047781728       16.4112330042
C        -1.9891684652        6.5420146119       17.4113814019
C        -0.9859120508        7.0186863272       18.2509196907
C         0.3162988992        6.5443200847       18.0567270982
C         0.5948061115        5.6098917197       17.0550227583
C        -3.3962716864        7.0295438292       17.5572270272
C         1.3901660964        7.0542510822       18.9716004235
F         3.2417721926        0.0092659550       18.4978728221
F         2.7435807123        2.0613502676       19.2269558993
F         4.8296618200        0.2253050967       14.0467952100
F         3.1984641593        0.4238809837       12.5751549258
F         4.4855341026        2.1397482190       12.9522012197
F        -3.5862399888        7.7957088647       18.6596509147
F        -3.7860260732        7.7969113009       16.4833190444
F        -4.2955172070        5.9977280380       17.6079938819
F         0.9552755565        7.0739037329       20.2784578097
F         2.5261835438        6.2958843412       18.9373934838
F         1.7504499794        8.3588405119       18.7124375688
F         1.1710819014        0.5725823368       18.9341626482
H         0.6031811974        2.8582157589       17.4540376871
H         3.8039403102        0.2683842211       16.2032241006
H         1.9396311572        2.9089303243       13.3641492515
H        -2.5242865912        5.2546317281       15.7788858614
H        -1.2136436851        7.7276074223       19.0398131960
H         1.6183234868        5.2593740004       16.9344859585
F        -1.2021017629        0.5047929114       11.2411038879
F        -3.3333077018       -0.0006847850       11.4649100287
F        -1.1179786782        7.0730135275        9.6823501319
F        -5.0003905869        0.2141208717       15.9751135935
F        -1.9119080430        8.3584993810       11.2482908377
F         3.4236734446        7.7950635967       11.3029895386
F        -2.6882494951        6.2956223000       11.0225442377
F        -4.7119981147        2.1390911987       17.0135334912
C         1.8272257630        6.5379192257       12.5548914674
F        -2.7565984475        1.9958119568       10.7292267284
C         0.8237777256        7.0166758039       11.7159029407
H         1.0514791304        7.7296647336       10.9297537061
F        -3.3599764288        0.4309126015       17.3914967283
C        -1.4265190083        2.5041230982       13.3464477828
H        -0.7566436149        2.8444881502       12.5573454530
C         0.2539718755        5.0895961835       13.7531943464
C        -1.3103096229        3.0541506672       14.6353526939
C         1.5473057034        5.5960286528       13.5531718328
H         2.3641860970        5.2443368899       14.1830717276
C        -0.7557115237        5.6039334397       12.9105589975
H        -1.7799783776        5.2562216658       13.0320599472
F         3.6239225851        7.7969454230       13.4780144097
C        -2.1948904955        2.5547209526       15.6076440522
H        -2.1425590080        2.9341557748       16.6277685131
C        -3.2472814882        1.0389294558       14.0190739222
H        -3.9892724897        0.2838528861       13.7823363420
C        -0.4785025472        6.5397037706       11.9078749142
C        -2.3735367104        1.5218277629       13.0414330720
C        -3.1459492668        1.5711474335       15.3074299719
C        -1.5514086183        7.0519003885       10.9893355521
C        -2.4274404400        1.0039357410       11.6349647233
C         3.2350013555        7.0287689306       12.4066545655
F         4.1338664155        5.9970583555       12.3516457291
C        -4.0522808040        1.0920220619       16.4053675827
C         9.3216733302        1.3785896808       13.6243937749
C         8.6438064949        1.2364942151       14.8954741384
C         9.3717142099        1.2717202026       16.0904115044
C        10.8219505084        0.8893633671       16.2258897475
C         8.8862213629        4.7477418505       11.8201465793
C         7.3955849317        4.4950098582       12.1267015956
C         6.6324643541        4.1467370443       10.8381763484
C         6.7824729845        5.2551322716        9.7874114539
C         8.2610055712        5.5509171757        9.4984333004
C         9.0589238154        5.8635458098       10.7782861438
C        11.6413886936        5.2084887500       12.8126495216
C        12.1348782953        3.9887487040       12.0120031329
C        13.6234012261        4.0788374164       11.6504353305
C        14.4868891165        4.3201675434       12.8919167610
C        14.0400223057        5.5998777246       13.6041215499
C        12.5598506038        5.5165757349       14.0148719586
C         9.4031118022        6.5793400003       14.1617083601
H         9.2980994137        3.8109301953       11.4077688589
H        11.6322407065        6.0868926794       12.1464931845
H         7.2967824031        3.6884783043       12.8690234129
H         6.9497801348        5.3946555831       12.5777835973
H         7.0185683069        3.1980958631       10.4345245005
H         5.5717979350        3.9747401543       11.0697313037
H         6.2866255684        6.1690025939       10.1462243977
H         6.2690147460        4.9680953853        8.8583743245
H         8.3511465533        6.4004479901        8.8049146946
H         8.7104782718        4.6793799733        8.9972377945
H        10.1183312727        6.0022741683       10.5274300094
H         8.7090749161        6.8132373413       11.2007283232
H        11.5356293162        3.8639095267       11.1015761078
H        11.9806897980        3.0761928215       12.6124249611
H        13.9259413546        3.1555521888       11.1361330227
H        13.7782627221        4.8993259896       10.9356037575
H        15.5448332186        4.3805031494       12.6030513485
H        14.4060763751        3.4645891891       13.5784278702
H        14.1897534440        6.4598855854       12.9364692141
H        14.6500574860        5.7941069727       14.4987656158
H        12.4351802778        4.7260200430       14.7715359634
H        12.2574908106        6.4618465313       14.4879208170
H         9.9700528045        7.4021931881       13.7019462922
H         8.3452812018        6.7426867488       13.9141783451
P         9.8826678879        4.9653047059       13.3696051347
Rh        9.4951818384        3.2245721050       14.7662637565
P         9.1759063392        4.8755640717       16.4087056591
C         6.4515338312        5.3479638563       15.8176937099
H         6.5276032415        4.5234546310       15.0911247676
H         6.7407451533        6.2653652556       15.2854001653
C         7.4165882885        5.0788888972       16.9902485188
H         7.4179055304        5.9666509284       17.6443175106
C        10.1660232281        4.6827916042       17.9671407761
H         9.7834974024        3.7322500644       18.3766379185
C         6.9662724378        3.8591439704       17.8149354847
H         7.6225670925        3.7204209358       18.6827703967
H         7.0655917740        2.9522785430       17.1979255395
C        11.6674652020        4.4794764686       17.6814399919
H        11.8068118666        3.6947298627       16.9233657513
H        12.0956089568        5.4026514101       17.2616367551
C        12.2180434357        5.2110860401       20.0482317888
H        12.7055271739        6.1394904705       19.7161808736
H        12.7164589999        4.9168952454       20.9837439268
C         4.9980950339        5.4766807800       16.3069405178
H         4.9029285451        6.3717132220       16.9381463973
H         4.3395692568        5.6397216573       15.4406524873
C         9.9532319646        5.7908492961       19.0155265294
H         8.8873327464        5.9148139496       19.2490466590
H        10.2988160460        6.7503478780       18.6064406520
C         4.5657187783        4.2405711350       17.1027575887
H         3.5345943480        4.3510727137       17.4648868264
H         4.5652172219        3.3602791288       16.4438503149
C        10.7288332753        5.4788528765       20.3102463462
H        10.6110045486        6.3195691380       21.0107038549
H        10.2812438616        4.5965635542       20.7939164059
C        12.4128637018        4.1251878782       18.9801186453
H        12.0408054582        3.1604496406       19.3587720972
H        13.4814743853        3.9817368528       18.7687659940
C         5.5104313051        3.9983112112       18.2851529820
H         5.2164808131        3.0960696308       18.8400754742
H         5.4350774502        4.8379546592       18.9929064852
C         9.6051349744        6.5432300334       15.6890992190
H         9.0140234430        7.3265992398       16.1852488130
H        10.6577956974        6.7297730744       15.9417515586
C        18.1027303396        9.5826957374       14.1332300390
C        18.0918337078        9.9264507676       15.5944877481
C        19.2827138797       10.0333501405       16.3197562327
C        20.6150778857        9.5094252267       15.8487875413
C        18.4427566278       13.2685283260       11.8935640599
C        16.9412014566       13.0269683236       12.1562601699
C        16.2079851760       12.6948973434       10.8460347600
C        16.3918673551       13.8093257001        9.8071092701
C        17.8791705813       14.1010262019        9.5624235271
C        18.6396293566       14.3997355580       10.8687225302
C        21.1762604764       13.5537484420       12.9462141124
C        21.6675739344       12.1480444771       12.5490463107
C        23.1085245427       12.1894522673       12.0204552012
C        24.0554834859       12.8270720863       13.0447192723
C        23.5643861602       14.2162085756       13.4711497731
C        22.1170098417       14.1738767943       13.9972319144
C        18.9858890283       15.1334654407       14.1921204214
H        18.8611563969       12.3375861672       11.4723779451
H        21.1909929497       14.2015532721       12.0539036767
H        16.8061041237       12.2200708839       12.8923307971
H        16.4949373017       13.9292215099       12.6019070219
H        16.5964999263       11.7459770581       10.4455170056
H        15.1406218713       12.5300242569       11.0497186888
H        15.8903982313       14.7231019535       10.1584142896
H        15.9025244617       13.5307700197        8.8623838294
H        17.9923394975       14.9566426561        8.8796556835
H        18.3404935341       13.2327843362        9.0663582642
H        19.7038460904       14.5523427056       10.6462113621
H        18.2701079805       15.3409220649       11.2948415875
H        21.0068554304       11.7021355222       11.7966923775
H        21.6169950392       11.5004267114       13.4397025163
H        23.4388764421       11.1721171590       11.7650354750
H        23.1352839888       12.7657207759       11.0831852470
H        25.0689706584       12.8899727587       12.6243328586
H        24.1290097064       12.1770848048       13.9286993663
H        23.6173976366       14.9061855251       12.6162163764
H        24.2200172398       14.6407356140       14.2458882014
H        22.0743778672       13.5740309588       14.9190427280
H        21.7941647985       15.1919150120       14.2570272737
H        19.5813652824       15.9239783962       13.7133524746
H        17.9330116862       15.3297240789       13.9474603236
P        19.3956267917       13.4697982546       13.4777910241
Rh       18.9185781362       11.8027951026       14.9647292123
P        18.7288828368       13.4414077310       16.4407365368
C        16.0056887806       13.8718931885       15.8601350425
H        16.1018733370       12.9993723466       15.1947170529
H        16.2832233338       14.7532639887       15.2640930177
C        16.9815215943       13.6993953129       17.0427620379
H        17.0061627621       14.6435156580       17.6133017407
C        19.7332170585       13.2602957305       17.9929891091
H        19.3329271557       12.3343674246       18.4382554789
C        16.5428994909       12.5648411826       17.9880244647
H        17.1881431837       12.5390530683       18.8752213719
H        16.6750192324       11.5991942180       17.4777700550
C        21.2274498571       13.0198320692       17.7040180832
H        21.3439690410       12.2182586838       16.9602713439
H        21.6700488175       13.9264357896       17.2632706206
C        21.8084786271       13.7910897414       20.0502385194
H        22.3153497062       14.7014366211       19.6977620624
H        22.3035447545       13.5054139908       20.9902039452
C        14.5483875562       14.0055946160       16.3324012401
H        14.4249506869       14.9399388242       16.8983702810
H        13.8927401260       14.0880168705       15.4524900616
C        19.5547648861       14.4033852769       19.0113702056
H        18.4944513803       14.5664194635       19.2450205598
H        19.9288236432       15.3407266944       18.5776487786
C        14.1453268933       12.8172886990       17.2108366246
H        13.1039811117       12.9112502540       17.5456943829
H        14.1931576868       11.8907433644       16.6203671245
C        20.3266211261       14.0988558609       20.3104828913
H        20.2299159208       14.9553936748       20.9947955590
H        19.8594964771       13.2362967623       20.8114681146
C        21.9761887629       12.6792001462       19.0042309025
H        21.5897305336       11.7292360328       19.4047689596
H        23.0410247748       12.5127606899       18.7888915754
C        15.0760536521       12.7072129583       18.4228627109
H        14.7978587878       11.8488168779       19.0508048349
H        14.9647712829       13.6037569685       19.0511018494
C        19.1983036467       15.1010024269       15.7159076726
H        18.6327307511       15.8971468577       16.2211124438
H        20.2588190785       15.2546874823       15.9584004565
C         8.5571467063       16.1360836739        4.1558824389
C         8.5385928383       15.8011569995        5.6194621775
C         9.7250194208       15.7035907506        6.3529041410
C        11.0581370693       16.2305134750        5.8873826105
C         8.9216710709       12.4475607638        1.9420678279
C         7.4195504322       12.6931852522        2.2006344674
C         6.6875028372       13.0199241550        0.8884991197
C         6.8702526278       11.9001756523       -0.1447782009
C         8.3574660213       11.6040061249       -0.3857156455
C         9.1164210506       11.3107126135        0.9232377334
C        11.6529432064       12.1751643720        3.0195462117
C        12.1588338468       13.5962096467        2.7053389677
C        13.5950314522       13.5690578014        2.1646479613
C        14.5375833671       12.8713100764        3.1524634767
C        14.0325009921       11.4690779112        3.5154446858
C        12.5844519953       11.4969736005        4.0422668619
C         9.4503043906       10.5880631104        4.2464413784
H         9.3447150031       13.3749648978        1.5183470471
H        11.6721486617       11.5765497632        2.0935530738
H         7.2842626849       13.5034707138        2.9329125599
H         6.9714652086       11.7936530687        2.6500609792
H         7.0776389560       13.9661863862        0.4835409156
H         5.6202333684       13.1874854944        1.0910608306
H         6.3661041215       10.9893922912        0.2101736691
H         6.3825960659       12.1753488583       -1.0915631479
H         8.4697742591       10.7449573146       -1.0642278842
H         8.8209062347       12.4688119339       -0.8853886579
H        10.1804346685       11.1534892949        0.7024933052
H         8.7438061376       10.3732624375        1.3542923332
H        11.4979896059       14.0954680631        1.9894940715
H        12.1230191388       14.1862416452        3.6356135950
H        13.9346288075       14.5949314463        1.9610639305
H        13.6120859073       13.0422531598        1.1983109971
H        15.5486815058       12.8162505521        2.7254414334
H        14.6218847844       13.4784928198        4.0654708358
H        14.0803836357       10.8180837663        2.6301761848
H        14.6841395695       11.0052284041        4.2702509394
H        12.5462761566       12.0539542739        4.9907480703
H        12.2536508325       10.4706464126        4.2543553501
H        10.0446663389        9.7946010774        3.7713214009
H         8.3975265126       10.3943838947        3.9994158241
P         9.8654787056       12.2498009194        3.5324043853
Rh        9.3734733645       13.9219262012        5.0072179259
P         9.1825658100       12.2872623942        6.4865075969
C         6.4636496750       11.8429402437        5.8963841012
H         6.5623069390       12.7095046640        5.2236054713
H         6.7448261963       10.9562456025        5.3100286816
C         7.4336984089       12.0272132909        7.0821677722
H         7.4581518519       11.0878992188        7.6605644059
C        10.1833840729       12.4764688041        8.0394457438
H         9.7810694661       13.4031407148        8.4812532015
C         6.9887913748       13.1688037016        8.0155593194
H         7.6292689916       13.2024437942        8.9058734511
H         7.1227837661       14.1303383774        7.4981758225
C        11.6772243444       12.7185739252        7.7496600010
H        11.7925580703       13.5174144766        7.0027446409
H        12.1212044565       11.8108335373        7.3125426031
C        12.2599829267       11.9547755899       10.0973267954
H        12.7687547028       11.0445069907        9.7473006718
H        12.7540324296       12.2441499746       11.0365662952
C         5.0039650246       11.7121356727        6.3623386376
H         4.8785706608       10.7828931890        6.9361457274
H         4.3530058867       11.6207314980        5.4797392996
C        10.0066829745       11.3361856140        9.0609756354
H         8.9465511182       11.1733632132        9.2951731823
H        10.3811586147       10.3978211893        8.6297757691
C         4.5948782543       12.9074016544        7.2285362771
H         3.5522524877       12.8141908899        7.5598388858
H         4.6438195964       13.8291652254        6.6306732141
C        10.7788000354       11.6449458278       10.3587284105
H        10.6841860720       10.7897112538       11.0449266281
H        10.3107872188       12.5078924094       10.8581112389
C        12.4254353580       13.0643041921        9.0485827040
H        12.0369171106       14.0143166094        9.4468175540
H        13.4898279932       13.2325946046        8.8326573334
C         5.5201808896       13.0282957562        8.4436657519
H         5.2382985386       13.8910829924        9.0638087513
H         5.4069572744       12.1363892994        9.0779683734
C         9.6590221975       10.6256054200        5.7703308138
H         9.0944719283        9.8298047411        6.2772100974
H        10.7195182879       10.4755967191        6.0152226044
C        18.2360575179        7.5705468674        4.0946918829
C        18.1882106275        7.2352826017        5.5563298065
C        19.3588464908        7.1247524630        6.3121582985
C        20.7062111507        7.6395824668        5.8759495248
C        18.5172122087        3.8876323926        1.8818521714
C        17.0173990778        4.1266629976        2.1561495580
C        16.2734168070        4.4575914936        0.8518315750
C        16.4517324119        3.3434651660       -0.1882562945
C        17.9376674980        3.0564337673       -0.4453997915
C        18.7102341790        2.7590134248        0.8538085501
C        21.2586367188        3.5861982474        2.9162290106
C        21.7435616372        4.9768661353        2.4630629481
C        23.1888437473        4.9256199347        1.9471168978
C        24.1326516549        4.3342974722        3.0014583036
C        23.6502744681        2.9562529063        3.4707164489
C        22.2009997199        3.0076045602        3.9896425505
C        19.0742782392        2.0202234117        4.1745615581
H        18.9301443576        4.8205094615        1.4597080658
H        21.2713193904        2.9042572174        2.0496932836
H        16.8876411655        4.9336752334        2.8931287947
H        16.5757500433        3.2238498273        2.6051628329
H        16.6568031008        5.4073180002        0.4482947799
H        15.2073378026        4.6203237966        1.0640334296
H        15.9557423544        2.4282641192        0.1670890633
H        15.9540878103        3.6202025408       -1.1290798530
H        18.0476490235        2.2018700620       -1.1299462846
H        18.3919829039        3.9266881252       -0.9444501645
H        19.7733335789        2.6127555492        0.6226327920
H        18.3491220844        1.8150150189        1.2812128088
H        21.0852480858        5.3843935746        1.6871333836
H        21.6813033168        5.6632507860        3.3237129353
H        23.5135422025        5.9349393360        1.6556891619
H        23.2268856559        4.3137863416        1.0328637177
H        25.1503829268        4.2681030417        2.5924812774
H        24.1915235841        5.0148705183        3.8632190377
H        23.7108173680        2.2398134913        2.6384293562
H        24.3051867722        2.5610746633        4.2615918039
H        22.1510693516        3.6369326197        4.8913874145
H        21.8829491828        1.9968508735        4.2818169484
H        19.6738131515        1.2316490992        3.6976497680
H        18.0228750746        1.8203104964        3.9270127962
P        19.4826266224        3.6837831479        3.4579196750
Rh       19.0186933536        5.3539154607        4.9436255830
P        18.8122860888        3.7143188636        6.4174048390
C        16.0958563828        3.2400248122        5.8202864695
H        16.1884323888        4.0876635525        5.1233819325
H        16.3839818642        2.3383346500        5.2609379457
C        17.0603979972        3.4651423764        7.0026867261
H        17.0825094898        2.5453513826        7.6117131879
C        19.8003967266        3.8966007175        7.9802051381
H        19.4008678490        4.8271205253        8.4164109826
C        16.6089843769        4.6373575064        7.8927924498
H        17.2451931428        4.7056196081        8.7843113478
H        16.7431463476        5.5786155112        7.3400588670
C        21.2983296857        4.1287242618        7.7041971325
H        21.4251944742        4.9263617410        6.9579393227
H        21.7413982181        3.2184052364        7.2717147920
C        21.8546310645        3.3659409773       10.0588000045
H        22.3599427253        2.4518397661        9.7138995027
H        22.3436088675        3.6528473394       11.0016172158
C        14.6368388872        3.1114491511        6.2890118950
H        14.5205029928        2.2020198466        6.8954458386
H        13.9876882061        2.9815206179        5.4102324955
C        19.6056865467        2.7608118985        9.0039862725
H        18.5422713052        2.6080914990        9.2309977620
H        19.9754858816        1.8177370393        8.5789241909
C        14.2152518202        4.3324657368        7.1118305006
H        13.1747935545        4.2377602820        7.4507279444
H        14.2504923498        5.2322484338        6.4806497813
C        20.3691346005        3.0668182747       10.3079965330
H        20.2624552541        2.2134351914       10.9947601298
H        19.9024403750        3.9336280875       10.8019403202
C        22.0356152301        4.4728086750        9.0098365661
H        21.6482456932        5.4256374820        9.4027050137
H        23.1026944334        4.6353191381        8.8037888590
C        15.1406054717        4.5088693923        8.3195431992
H        14.8544058839        5.3955353386        8.9023393007
H        15.0299634232        3.6446980464        8.9908947740
C        19.2822993947        2.0535161310        5.6989874697
H        18.7130764842        1.2595276870        6.2036047623
H        20.3415007366        1.8979330355        5.9457021188
H         9.6280506887       15.5355897507        7.4259050127
H         7.5744771736       15.7390816706        6.1212283977
H         7.5520531278       16.2668641306        3.7419270226
H         9.0149336077       15.2911920697        3.5249450768
H         9.1844004485       17.0038050196        3.9084315979
H        11.1185815039       17.3157429387        6.0774840040
H        11.2307925004       16.0897948905        4.8119699148
H        11.8865248524       15.7601936636        6.4285337434
H         7.5535113868        1.2639355960       14.9350856662
H         8.7943614345        1.2920247771       17.0158334257
H         8.7084194267        1.4586343702       12.7280505399
H        10.2384169753        0.8104182119       13.4585876496
H        10.5634024011        2.7404092727       13.7400208221
H        11.2946919214        1.3971637066       17.0743483174
H        11.4175406045        1.0989769697       15.3314456339
H        10.8931144327       -0.1932865302       16.4181561523
H        17.2140416803        7.1800683882        6.0391646177
H        19.2379804633        6.9531020349        7.3823338218
H        21.5167441565        7.1704167161        6.4439656598
H        20.9068315874        7.4846047885        4.8071013111
H        20.7685151163        8.7266159554        6.0549415532
H        17.2400067645        7.7162143512        3.6645461414
H        18.8810864102        8.4276057636        3.8570123518
H        18.6895933178        6.7176989280        3.4681341396
H        17.1306656391        9.9883637155       16.1019069451
H        19.1919349265       10.2074601090       17.3923468644
H        20.6789698892        8.4240715040       16.0372970642
H        20.7833167156        9.6516368044       14.7727022949
H        21.4442170270        9.9814881617       16.3870135562
H        17.0957514649        9.4447031599       13.7264120438
H        18.7328846411        8.7168822353       13.8868065088
H        18.5517049564       10.4266150633       13.4938509462
632
SCF Energy = -4406.9844942468 (a.u.)
Lowest Frequencies = 13.683735  18.493521  21.522437 (cm^-1)
IV (cis) / [1-(2-butene)][BArF4]
B         9.5698328864        4.5158113335        5.0049594450
C        10.7813785651        5.5528440109        5.3865684552
C        10.9132241849        6.0975203609        6.6811884790
C        11.8638613517        7.0825949763        6.9862195318
C        12.7202294813        7.5700196244        5.9927013254
C        12.6053330245        7.0418631188        4.7010131862
C        11.6536195360        6.0586712698        4.4080072734
C        12.0002962193        7.5484976002        8.4164789297
C        13.5168964774        7.4971962158        3.5959006350
C         9.2297560897        3.4939619297        6.2244948287
C         7.9394390243        2.9785417158        6.4159961722
C         7.6616680174        2.0450314061        7.4214896606
C         8.6648966921        1.5842535394        8.2697097462
C         9.9635391927        2.0689432774        8.0765046433
C        10.2405140111        2.9959237706        7.0704514881
C         6.2566708713        1.5498980874        7.5686848876
C        11.0386048081        1.5661672448        8.9904183146
F        12.8956150259        8.5692624312        8.5783915409
F        12.3947488988        6.5103350695        9.2437638794
F        14.4845128375        8.3533723954        4.0599631766
F        12.8516535991        8.1532576977        2.5894959134
F        14.1381416044        6.4384748842        2.9668539747
F         6.0677511215        0.7825534107        8.6708340262
F         5.8671604782        0.7810375061        6.4959275751
F         5.3562623163        2.5803442443        7.6215127710
F        10.6078007535        1.5715397604       10.2962311919
F        12.1860682357        2.2942471836        8.9494073993
F        11.4009104248        0.2707231008        8.7272870414
F        10.8207048328        8.0044421183        8.9490426538
H        10.2600886388        5.7411299278        7.4770223363
H        13.4695849325        8.3192626287        6.2239669240
H        11.5959407740        5.6780833558        3.3883992508
H         7.1242285449        3.3179420141        5.7771433293
H         8.4407162917        0.8771984884        9.0617174257
H        11.2626517494        3.3506885952        6.9509863916
F         8.4507589172        8.0727302784        1.2543782743
F         6.3192011140        8.5786156749        1.4779152585
F         8.5354478018        1.5045403764       -0.3034761919
F         4.6536323079        8.3640548584        5.9887010309
F         7.7413197612        0.2196166535        1.2623384040
F        13.0762180880        0.7828915004        1.3179674356
F         6.9643974558        2.2822992704        1.0361844214
F         4.9414197110        6.4387770069        7.0265232000
C        11.4799384561        2.0420755479        2.5709707518
F         6.8963481891        6.5817976115        0.7427978209
C        10.4751277612        1.5608006591        1.7350540099
H        10.7017200633        0.8446485353        0.9514695791
F         6.2931036648        8.1467900949        7.4056619501
C         8.2280372964        6.0811898854        3.3589435681
H         8.8973118103        5.7405660142        2.5696296216
C         9.9090714022        3.4985712064        3.7646047637
C         8.3466444322        5.5340639609        4.6477629940
C        11.2015330941        2.9887891456        3.5656740004
H        12.0192266042        3.3411990086        4.1940788379
C         8.8981320527        2.9829779980        2.9223640943
H         7.8744511843        3.3342263865        3.0404399442
F        13.2767455314        0.7805998539        3.4923356879
C         7.4620283778        6.0312102614        5.6204830989
H         7.5151352027        5.6503684933        6.6398198292
C         6.4040886352        7.5421997549        4.0314905182
H         5.6592651774        8.2941059011        3.7941732496
C         9.1736262177        2.0414038354        1.9236993377
C         7.2782227290        7.0600386486        3.0542032198
C         6.5084360007        7.0115421576        5.3202513134
C         8.1020270769        1.5270355219        1.0026195312
C         7.2250321321        7.5747446329        1.6476903504
C        12.8875231078        1.5492058767        2.4216111309
F        13.7868632662        2.5805810184        2.3653264776
C         5.6023128619        7.4876907785        6.4182375050
B        -0.0332160180       13.0867868583        4.9991291539
C         1.1780291346       14.1205357278        5.3745516437
C         1.3047334915       14.6621622912        6.6700211469
C         2.2526961016       15.6460246561        6.9758078685
C         3.1116566794       16.1353647591        5.9847108990
C         3.0016324327       15.6107239667        4.6930543020
C         2.0509131570       14.6269388504        4.3968632137
C         2.3960103544       16.1201609593        8.3997567094
C         3.9166795059       16.0723923305        3.5937443126
C        -0.3701565640       12.0667798479        6.2204066009
C        -1.6606644062       11.5536556292        6.4145782229
C        -1.9375922875       10.6216759722        7.4214579689
C        -0.9338244420       10.1614168580        8.2691358298
C         0.3650738235       10.6446369372        8.0737011186
C         0.6417733774       11.5688743349        7.0651031031
C        -3.3425177953       10.1279193178        7.5693745971
C         1.4403743787       10.1443172648        8.9881868823
F         3.2957632535       17.1457007760        8.5114081276
F         2.7975257980       15.0938453577        9.2401662312
F         4.8838051012       16.9301626437        4.0601770882
F         3.2525847525       16.7310135053        2.5887631571
F         4.5395818927       15.0154098238        2.9656575647
F        -3.5313234807        9.3598404831        8.6711119667
F        -3.7316896090        9.3583908697        6.4962472086
F        -4.2427525936       11.1578001529        7.6215195160
F         1.0080843479       10.1487457816       10.2954547817
F         2.5868409860       10.8714757858        8.9496701990
F         1.8020003729        8.8477325191        8.7272820274
F         1.2248805966       16.5823977977        8.9478259253
H         0.6498228576       14.3047943691        7.4639993006
H         3.8603009446       16.8842702882        6.2181692363
H         1.9942318904       14.2473730833        3.3768039754
H        -2.4765143399       11.8935782030        5.7767921695
H        -1.1582137979        9.4574810491        9.0636566861
H         1.6640276311       11.9227259407        6.9435546229
F        -1.1482092394       16.6503473066        1.2546058277
F        -3.2797805662       17.1561532157        1.4779489044
F        -1.0640253435       10.0820338728       -0.3044332178
F        -4.9452391367       16.9411409406        5.9886992319
F        -1.8577308440        8.7969248519        1.2618235717
F         3.4774831339        9.3600420375        1.3169389205
F        -2.6345254233       10.8594615025        1.0362958504
F        -4.6574479130       15.0160651839        7.0265663375
C         1.8809560046       10.6193581072        2.5680238648
F        -2.7025528874       15.1592968185        0.7428502451
C         0.8776789295       10.1414617351        1.7284720846
H         1.1055256787        9.4285643533        0.9428042024
F        -3.3057869073       16.7241887112        7.4058796833
C        -1.3740108075       14.6549125542        3.3570506865
H        -0.7059604835       14.3135827516        2.5668517154
C         0.3070904786       12.0710133461        3.7619289946
C        -1.2549660591       14.1076809879        4.6457621988
C         1.6002167854       11.5624266584        3.5650159405
H         2.4163526831       11.9134249187        4.1962007394
C        -0.7025453037       11.5563175060        2.9195477580
H        -1.7267042307       11.9053583701        3.0387315589
F         3.6776087728        9.3582587888        3.4915559151
C        -2.1352400205       14.6083910062        5.6208238662
H        -2.0798394422       14.2295106626        6.6410387978
C        -3.1952247185       16.1180918509        4.0318439674
H        -3.9401616689       16.8700744215        3.7951618445
C        -0.4247497464       10.6182698285        1.9194706386
C        -2.3221208616       15.6357021012        3.0536467496
C        -3.0893127269       15.5886488623        5.3209760832
C        -1.4977645825       10.1041224269        1.0025335308
C        -2.3744097450       16.1516608125        1.6474319897
C         3.2887455724       10.1270473543        2.4204202513
F         4.1879295680       11.1579301394        2.3652212910
C        -3.9961861195       16.0648517937        6.4188020549
B         9.5127564933       12.6639492345       15.0082343221
C        10.7231078119       11.6198998323       15.3691109624
C        10.8481728912       11.0694169034       16.6609497391
C        11.7967290661       10.0854217197       16.9631766320
C        12.6549735458        9.5982832314       15.9706181327
C        12.5444038676       10.1265151854       14.6802260643
C        11.5961449580       11.1155723150       14.3890384127
C        11.9409530202        9.6118008243       18.3865358207
C        13.4599896357        9.6629585710       13.5807716056
C         9.1846049287       13.6739520173       16.2504721603
C         7.8988162108       14.2041908268       16.4329354879
C         7.6133989112       15.1179743666       17.4548116373
C         8.6070312993       15.5428256600       18.3363409475
C         9.9054224683       15.0485063129       18.1570185917
C        10.1858895080       14.1419307735       17.1282777760
C         6.2037408137       15.6120841331       17.5863225352
C        10.9788844719       15.5083111566       19.1056190478
F        12.8409577449        8.5863982800       18.4982781010
F        12.3424376977       10.6381764743       19.2265684732
F        14.4277633502        8.8038167318       14.0468694420
F        12.7971979022        9.0015809240       12.5755582958
F        14.0843167955       10.7173947980       12.9518604474
F         6.0115805382       16.3664991478       18.7085785902
F         5.8169400123       16.3736433590       16.4990899677
F         5.3042723822       14.5772839625       17.6116815992
F        10.5523527140       15.4377262098       20.4185364346
F        12.1289579795       14.7891178910       19.0123857747
F        11.3435105647       16.8170080831       18.9332847170
F        10.7697319628        9.1497853852       18.9345049727
H        10.1922701463       11.4210200718       17.4566036548
H        13.4042341891        8.8494045933       16.2022977824
H        11.5414934884       11.5020002166       13.3714782355
H         7.0906206995       13.8907737050       15.7721109329
H         8.3742938153       16.2289823541       19.1441680938
H        11.2057035452       13.7784646054       17.0162650508
F         8.3968580173        9.0833717257       11.2415886724
F         6.2663132869        8.5780270956       11.4658855452
F         8.4811378704       15.6505327426        9.6835963561
F         4.6003098754        8.7914556348       15.9750614948
F         7.6858072462       16.9352335138       11.2486178592
F        13.0220994993       16.3721760676       11.3037128375
F         6.9104501089       14.8727433569       11.0230725511
F         4.8870481244       10.7165588343       17.0136491375
C        11.4249976767       15.1147839752       12.5580264733
F         6.8423707034       10.5735658417       10.7296892423
C        10.4222958368       15.5877798536       11.7157751501
H        10.6511324274       16.2936519309       10.9238170798
F         6.2391406000        9.0081892304       17.3924122497
C         8.1726612800       11.0907032847       13.3529040386
H         8.8414290878       11.4356523284       12.5648268772
C         9.8485392947       13.6808812051       13.7696599683
C         8.2875505843       11.6402389333       14.6439413910
C        11.1425170081       14.1837000810       13.5659013882
H        11.9582315136       13.8373391549       14.2000974447
C         8.8391912065       14.1910146668       12.9233892246
H         7.8141129250       13.8454703974       13.0457275967
F        13.2227443275       16.3744563079       13.4783303268
C         7.4036305549       11.1361220707       15.6141482622
H         7.4522094672       11.5161196301       16.6344487834
C         6.3561078392        9.6188895284       14.0218824903
H         5.6140539530        8.8643085350       13.7840938750
C         9.1188129420       15.1179262017       11.9129755857
C         7.2284321264       10.1050320984       13.0444400374
C         6.4561145721       10.1497428049       15.3106953688
C         8.0473346768       15.6297487108       10.9928137343
C         7.1724825923        9.5851036162       11.6368296596
C        12.8320034092       15.6051640446       12.4076286605
F        13.7327170511       14.5744741243       12.3518372407
C         5.5488849924        9.6693418117       16.4060028637
B        -0.0853192494        4.0747394282       14.9914896363
C         1.1260649645        3.0388749864       15.3630111961
C         1.2544984266        2.4980497532       16.6585923517
C         2.1996638042        1.5107482575       16.9627335733
C         3.0561623667        1.0190599812       15.9706570408
C         2.9464080068        1.5443630492       14.6791377287
C         1.9965322403        2.5296895380       14.3840030913
C         2.3421326952        1.0347077098       18.3860765729
C         3.8626733130        1.0811841617       13.5804866282
C        -0.4166229110        5.0989647153       16.2145837059
C        -1.7094051549        5.6055492290       16.4101175571
C        -1.9893513956        6.5423578413       17.4107876035
C        -0.9861829585        7.0188675955       18.2505476552
C         0.3160418578        6.5445806331       18.0563821433
C         0.5941754737        5.6102605136       17.0544445970
C        -3.3963066029        7.0297361436       17.5570566977
C         1.3899806132        7.0543869973       18.9714981878
F         3.2417216345        0.0094034039       18.4978059648
F         2.7435786979        2.0613647408       19.2269709111
F         4.8295898058        0.2253186784       14.0467258453
F         3.1984901976        0.4239812265       12.5751069602
F         4.4855860642        2.1398666689       12.9521777490
F        -3.5862468911        7.7957289215       18.6593721641
F        -3.7861527626        7.7969210129       16.4830685389
F        -4.2956808728        5.9977376730       17.6079818306
F         0.9551979956        7.0738743543       20.2782757707
F         2.5261414210        6.2959133812       18.9373022144
F         1.7504158633        8.3588274694       18.7123115057
F         1.1710198309        0.5726542707       18.9341841553
H         0.6025326015        2.8583293523       17.4536354121
H         3.8038769742        0.2687384962       16.2033009391
H         1.9390838880        2.9088620003       13.3637857803
H        -2.5250263518        5.2560103925       15.7775053217
H        -1.2140735678        7.7277384938       19.0394215556
H         1.6176051150        5.2595469389       16.9337644263
F        -1.2021454641        0.5048072966       11.2411723391
F        -3.3333490616       -0.0006510791       11.4649026175
F        -1.1179881258        7.0730394256        9.6822086971
F        -5.0000945085        0.2141739676       15.9750954613
F        -1.9119104241        8.3585405070       11.2482240431
F         3.4237214551        7.7950838604       11.3029342057
F        -2.6883208652        6.2956504129       11.0224667854
F        -4.7120481792        2.1393149184       17.0135208228
C         1.8268935516        6.5383534293       12.5546212897
F        -2.7565378695        1.9958099798       10.7291129034
C         0.8235001050        7.0171346067       11.7155490716
H         1.0510402517        7.7303759170       10.9295217214
F        -3.3598987605        0.4309429418       17.3915525253
C        -1.4274694555        2.5046651730       13.3460753071
H        -0.7580189491        2.8453299404       12.5567153191
C         0.2535507558        5.0896799989       13.7525797580
C        -1.3107345542        3.0543179222       14.6350708897
C         1.5467464143        5.5965070375       13.5528531226
H         2.3633616627        5.2450718515       14.1831664372
C        -0.7560199935        5.6038095959       12.9097302291
H        -1.7801981032        5.2556285475       13.0306001462
F         3.6239360911        7.7969048027       13.4779557104
C        -2.1946651270        2.5541972416       15.6076014859
H        -2.1420189273        2.9333650922       16.6278304202
C        -3.2481221385        1.0392712352       14.0187198800
H        -3.9907010619        0.2847991075       13.7817410841
C        -0.4786893167        6.5398868792       11.9074573756
C        -2.3744213325        1.5222362735       13.0411339725
C        -3.1459600533        1.5707737563       15.3073255846
C        -1.5516326294        7.0520915573       10.9890360296
C        -2.4276749545        1.0039110295       11.6347505143
C         3.2345234942        7.0293395086       12.4065811495
F         4.1337893481        5.9970395553       12.3516651393
C        -4.0521824061        1.0913847314       16.4052773125
C         9.5040559504        1.5074136409       13.4520222845
C         8.8177667286        1.1682610023       14.6528611994
C         9.4217434382        1.2070757686       15.9266789429
C        10.8713546518        0.8614927939       16.1614592080
C         8.8730819371        4.7596933394       11.8054584874
C         7.3858915933        4.4896794014       12.1153007175
C         6.6198507510        4.1466370238       10.8264330837
C         6.7596798049        5.2651613872        9.7846965071
C         8.2350204796        5.5758730467        9.4942886566
C         9.0305326069        5.8871559116       10.7757845234
C        11.6299921452        5.1298955306       12.8286345708
C        12.1236068210        3.8254668709       12.1759124464
C        13.5936661489        3.9140492901       11.7474324931
C        14.4905387089        4.3096356337       12.9248184022
C        14.0254523153        5.6374298196       13.5316924568
C        12.5554943398        5.5649593778       13.9836254907
C         9.4185586248        6.5633032722       14.1691670788
H         9.2900403312        3.8306324943       11.3813873333
H        11.6312435296        5.9321088582       12.0716682573
H         7.2897134652        3.6642919943       12.8404076149
H         6.9320852207        5.3768366056       12.5825080267
H         7.0125956649        3.2044933838       10.4144722716
H         5.5611007397        3.9654146619       11.0592882701
H         6.2567084265        6.1721314393       10.1508551924
H         6.2462106355        4.9795254841        8.8553335843
H         8.3160150467        6.4302212921        8.8056893797
H         8.6913830961        4.7112957209        8.9870419150
H        10.0881552345        6.0404735102       10.5259499970
H         8.6698746687        6.8280451316       11.2075982669
H        11.4978325800        3.5718218036       11.3127025071
H        12.0037902378        3.0040277803       12.8981556205
H        13.9087174555        2.9507144603       11.3215409653
H        13.6976239204        4.6573321490       10.9435764180
H        15.5347728034        4.3790423115       12.5912407070
H        14.4662780540        3.5222655796       13.6925090246
H        14.1384371543        6.4394944783       12.7884834305
H        14.6516208639        5.9240594950       14.3895981373
H        12.4693442875        4.8448087471       14.8129071792
H        12.2445676944        6.5430160091       14.3774161698
H         9.9956195030        7.3825160645       13.7154008612
H         8.3623595253        6.7508425980       13.9311752313
P         9.8613542591        4.9450287876       13.3625239723
Rh        9.3819985054        3.2664537154       14.8177680961
P         9.1707321057        4.8668895223       16.4467620049
C         6.4591322961        5.3329734257       15.8351220218
H         6.5393591143        4.4908268102       15.1270994412
H         6.7497892470        6.2374506306       15.2821919160
C         7.4150835212        5.0967020801       17.0234578683
H         7.4107958628        6.0030256811       17.6514786083
C        10.1661694803        4.6864412418       18.0024412599
H         9.7812401789        3.7404780891       18.4202711326
C         6.9632593952        3.8969667644       17.8772831960
H         7.6060903035        3.7957527590       18.7604762562
H         7.0908209660        2.9714575541       17.2932946518
C        11.6692418709        4.4811327663       17.7278957445
H        11.8182502057        3.6780995480       16.9911293593
H        12.0995669310        5.3960047987       17.2924424775
C        12.2123743254        5.2453028915       20.0863703788
H        12.6989625483        6.1707575349       19.7450747530
H        12.7085670043        4.9626583435       21.0264986280
C         4.9994256909        5.4614884745       16.3036520798
H         4.8934485124        6.3684387812       16.9160262359
H         4.3496755324        5.6036645546       15.4271755201
C         9.9521353106        5.8080068239       19.0373511484
H         8.8855773160        5.9360388583       19.2648837362
H        10.3004681353        6.7618510483       18.6178722866
C         4.5678774948        4.2380076541       17.1188200330
H         3.5307593223        4.3462352353       17.4640279804
H         4.5839395202        3.3445291488       16.4779801440
C        10.7217974170        5.5117888482       20.3388500078
H        10.5985150848        6.3596619161       21.0294730434
H        10.2744201810        4.6331421603       20.8294458757
C        12.4119928429        4.1464676040       19.0332102435
H        12.0407611941        3.1860128325       19.4228117148
H        13.4812327625        4.0025525240       18.8249909781
C         5.4980278806        4.0300205277       18.3191264815
H         5.2049979043        3.1358408684       18.8874084366
H         5.4016654025        4.8828291245       19.0081553436
C         9.6309388712        6.5178767388       15.7000004543
H         9.0671064189        7.3209906252       16.1960456664
H        10.6906586771        6.6793587480       15.9410568822
C        18.0984715915        9.5822982990       14.1312125110
C        18.0880961632        9.9257618493       15.5925595024
C        19.2791959785       10.0314184034       16.3177206901
C        20.6109740097        9.5061572035       15.8464359977
C        18.4421636122       13.2680257166       11.8926812813
C        16.9404212748       13.0272096839       12.1550445070
C        16.2073255835       12.6955080051       10.8446702640
C        16.3920373326       13.8098763324        9.8058395256
C        17.8795132380       14.1009661418        9.5615126807
C        18.6398752283       14.3992179294       10.8679764249
C        21.1756701410       13.5519948742       12.9460525946
C        21.6666792863       12.1463100482       12.5484670300
C        23.1077014517       12.1876157844       12.0199750418
C        24.0547901220       12.8246960378       13.0444466754
C        23.5638835542       14.2137075903       13.4714961677
C        22.1164519739       14.1714778934       13.9974131257
C        18.9856275613       15.1322269800       14.1917715405
H        18.8602037548       12.3369236061       11.4714741566
H        21.1908035230       14.2000394663       12.0539194664
H        16.8047306760       12.2203658491       12.8910638609
H        16.4943631380       13.9296176521       12.6005649498
H        16.5953853976       11.7463659125       10.4442349539
H        15.1398124475       12.5314098993       11.0481631268
H        15.8907549974       14.7237784340       10.1570667181
H        15.9028125035       13.5315586404        8.8609898712
H        17.9932022019       14.9566073797        8.8788591085
H        18.3406263242       13.2326015175        9.0654621317
H        19.7042277466       14.5512506298       10.6457034539
H        18.2707353360       15.3405601674       11.2940905305
H        21.0058650770       11.7009090418       11.7959296201
H        21.6158454145       11.4983967729       13.4389003990
H        23.4378485631       11.1702918991       11.7642160738
H        23.1346605340       12.7641478662       11.0828601936
H        25.0682622561       12.8878972937       12.6241107032
H        24.1282756964       12.1743700567       13.9281672302
H        23.6172652847       14.9039434628       12.6167947696
H        24.2196431942       14.6375768358       14.2464867156
H        22.0735731115       13.5712773140       14.9189839655
H        21.7937362826       15.1894515383       14.2576474078
H        19.5814319424       15.9226131892       13.7132147704
H        17.9328234716       15.3288432074       13.9470839597
P        19.3948480487       13.4686044741       13.4770679524
Rh       18.9163858613       11.8014669150       14.9634971380
P        18.7274931200       13.4397893502       16.4399496051
C        16.0046183637       13.8721327310       15.8588857469
H        16.1003379117       12.9999382656       15.1929630789
H        16.2827694951       14.7536437437       15.2633354981
C        16.9801648286       13.6983912072       17.0415894244
H        17.0051721318       14.6421614474       17.6126980187
C        19.7316453591       13.2578263208       17.9922437739
H        19.3306299945       12.3321801741       18.4374458811
C        16.5407560586       12.5635657057       17.9861666834
H        17.1858284053       12.5369140300       18.8734640763
H        16.6724271457       11.5981409021       17.4753676035
C        21.2257532138       13.0163319877       17.7034376657
H        21.3417652013       12.2145575964       16.9598205512
H        21.6690313255       13.9225291491       17.2625460960
C        21.8071069360       13.7875173305       20.0496365038
H        22.3144872671       14.6975476027       19.6970697012
H        22.3020348591       13.5016592823       20.9896235954
C        14.5473613424       14.0065172192       16.3310319622
H        14.4244448982       14.9404524163       16.8977660367
H        13.8918029494       14.0901943483       15.4512121606
C        19.5537850905       14.4010114269       19.0106622745
H        18.4935298839       14.5645910191       19.2442257150
H        19.9284153490       15.3381762106       18.5770056031
C        14.1434648341       12.8179034637       17.2086261493
H        13.1021642755       12.9124678377       17.5434023612
H        14.1907234147       11.8916999224       16.6175814607
C        20.3253958400       14.0960194044       20.3098117207
H        20.2290698652       14.9525740906       20.9941615450
H        19.8577787913       13.2336987302       20.8107297631
C        21.9742766184       12.6754486979       19.0037268050
H        21.5873069296       11.7257230632       19.4043476256
H        23.0390507436       12.5085076433       18.7884505491
C        15.0739061151       12.7065345635       18.4207305326
H        14.7951257850       11.8479783455       19.0481991755
H        14.9629855018       13.6028039540       19.0494196670
C        19.1979164467       15.0992914685       15.7155620985
H        18.6326835276       15.8955578599       16.2209509072
H        20.2584963375       15.2522807918       15.9582071056
C         8.5620691922       16.1399087636        4.1524561067
C         8.5427563593       15.8051342631        5.6160158975
C         9.7287716333       15.7068813807        6.3500141567
C        11.0624985063       16.2322050389        5.8844633936
C         8.9234457664       12.4511186487        1.9392148136
C         7.4214121365       12.6969399432        2.1982104140
C         6.6888900823       13.0239836410        0.8864016328
C         6.8715978019       11.9047075474       -0.1474228918
C         8.3588169331       11.6089335515       -0.3886439627
C         9.1176992586       11.3144832449        0.9200518843
C        11.6548260612       12.1748338380        3.0164569903
C        12.1621611390       13.5941724472        2.6970771401
C        13.5991551804       13.5642151921        2.1586640781
C        14.5400301998       12.8691518665        3.1498946092
C        14.0335378491       11.4683369772        3.5161682151
C        12.5851869687       11.4991878787        4.0419063699
C         9.4502977031       10.5916957828        4.2436328040
H         9.3465280051       13.3784739055        1.5154708156
H        11.6734130901       11.5728293117        2.0926421153
H         7.2865194511       13.5071502774        2.9306469972
H         6.9733816140       11.7973924787        2.6476607656
H         7.0785673442       13.9705014888        0.4816408200
H         5.6216300796       13.1911233685        1.0894262471
H         6.3676148444       10.9936712116        0.2071605705
H         6.3838763866       12.1804371561       -1.0940104539
H         8.4712317423       10.7506165623       -1.0680538841
H         8.8221394722       12.4742869059       -0.8874337729
H        10.1816410878       11.1570293431        0.6991684396
H         8.7446823453       10.3769504469        1.3507140219
H        11.5029126882       14.0906005361        1.9778933508
H        12.1252111745       14.1883170524        3.6246937567
H        13.9395913668       14.5891943182        1.9520596741
H        13.6172805553       13.0342244219        1.1940956073
H        15.5516507837       12.8123200803        2.7243763080
H        14.6234116293       13.4789145318        4.0612666628
H        14.0813712680       10.8151048979        2.6325487185
H        14.6841740967       11.0057285901        4.2725959732
H        12.5468859891       12.0593031171        4.9885432374
H        12.2533151256       10.4738560107        4.2571550455
H        10.0439244052        9.7975778583        3.7686911616
H         8.3973855109       10.3992355830        3.9962511096
P         9.8674768363       12.2528365629        3.5293420569
Rh         9.3769707423       13.9254506201        5.0040814825
P         9.1836565327       12.2912767696        6.4836989913
C         6.4647020918       11.8463664721        5.8930605029
H         6.5626424101       12.7125466865        5.2196951333
H         6.7465865005       10.9595189144        5.3072907690
C         7.4344368394       12.0322500009        7.0787703204
H         7.4588526784       11.0936147445        7.6582828451
C        10.1837980991       12.4796096497        8.0371750556
H         9.7816236385       13.4062923031        8.4790974691
C         6.9888937148       13.1746941114        8.0107481631
H         7.6293820485       13.2102796692        8.9009467104
H         7.1220082872       14.1356309462        7.4920338067
C        11.6778532437       12.7212721257        7.7481178436
H        11.7937367055       13.5200613857        7.0012312156
H        12.1217466931       11.8133773189        7.3111944809
C        12.2594212047       11.9571327214       10.0959071748
H        12.7683972431       11.0469243181        9.7459999127
H        12.7527964128       12.2466026965       11.0354721514
C         5.0051650832       11.7145986843        6.3592104392
H         4.8807052503       10.7856903232        6.9337818070
H         4.3542135682       11.6218672832        5.4767387158
C        10.0062888858       11.3391705570        9.0584634818
H         8.9459821180       11.1769260228        9.2923582884
H        10.3804496467       10.4006869354        8.6271564223
C         4.5950114161       12.9102160501        7.2244246916
H         3.5525113591       12.8162165515        7.5559594874
H         4.6428479823       13.8313601880        6.6255347288
C        10.7780655834       11.6474865013       10.3565774177
H        10.6831363572       10.7920014907       11.0424248845
H        10.3101468009       12.5103579564       10.8561352299
C        12.4253766290       13.0668701605        9.0474669091
H        12.0366416403       14.0167294078        9.4458231255
H        13.4898662279       13.2352062574        8.8320675458
C         5.5204390360       13.0335724420        8.4392313607
H         5.2380239756       13.8970020436        9.0582315122
H         5.4080083889       12.1425017162        9.0748761188
C         9.6585342778       10.6290793208        5.7675859869
H         9.0929164503        9.8339201189        6.2742694588
H        10.7187627413       10.4779183393        6.0128966173
C        18.2252993601        7.5721616417        4.1009843739
C        18.1803272082        7.2349350804        5.5623581625
C        19.3528419677        7.1239362767        6.3154183054
C        20.6990418491        7.6397429843        5.8764746361
C        18.5122703648        3.8890205040        1.8827642335
C        17.0121505675        4.1282307723        2.1552259682
C        16.2696193632        4.4587491800        0.8499599790
C        16.4492195176        3.3444327937       -0.1897222264
C        17.9354656766        3.0573780342       -0.4450578138
C        18.7062458025        2.7600269811        0.8552184963
C        21.2521438681        3.5895824316        2.9198673358
C        21.7378972272        4.9825351177        2.4745026147
C        23.1825250372        4.9326298476        1.9566241769
C        24.1271484512        4.3342942874        3.0062921074
C        23.6433342303        2.9546414998        3.4695028884
C        22.1944827535        3.0049732011        3.9899742877
C        19.0659902195        2.0215788491        4.1756957409
H        18.9259634512        4.8216765268        1.4608479143
H        21.2650396175        2.9124324342        2.0495890884
H        16.8814778614        4.9354309728        2.8918167189
H        16.5699361222        3.2255868088        2.6040119619
H        16.6532915519        5.4084697833        0.4466748595
H        15.2033050073        4.6213159573        1.0611008768
H        15.9528943562        2.4292516426        0.1652261849
H        15.9527764176        3.6208264731       -1.1313010189
H        18.0462232951        2.2026880565       -1.1293343677
H        18.3904591303        3.9275381307       -0.9436695137
H        19.7695665637        2.6131554063        0.6253549033
H        18.3441574721        1.8162709310        1.2823233231
H        21.0791968306        5.3955486064        1.7017624689
H        21.6773097074        5.6636173922        3.3394341506
H        23.5080553939        5.9431877517        1.6703760623
H        23.2186218552        4.3258608932        1.0389910092
H        25.1440415236        4.2681924954        2.5951107124
H        24.1887942772        5.0105092572        3.8712965749
H        23.7023783369        2.2420285683        2.6338033658
H        24.2986118055        2.5550020414        4.2578011423
H        22.1459473022        3.6302085068        4.8946143951
H        21.8756618382        1.9931754887        4.2776962506
H        19.6653273984        1.2327805561        3.6988966094
H        18.0146218868        1.8223819175        3.9273039810
P        19.4754849729        3.6852805220        3.4602585639
Rh       19.0098063158        5.3543987877        4.9469617209
P        18.8030228012        3.7145467826        6.4202022031
C        16.0847257539        3.2514682497        5.8254770517
H        16.1772045523        4.1055127147        5.1363483380
H        16.3710744976        2.3549817018        5.2568519972
C        17.0516907425        3.4643648494        7.0082334920
H        17.0740352724        2.5387707797        7.6084195141
C        19.7932015281        3.8950967203        7.9816906212
H        19.3937097125        4.8247419529        8.4197884259
C        16.6025615818        4.6279591582        7.9112587930
H        17.2418631374        4.6881067130        8.8011170368
H        16.7338630871        5.5749033400        7.3673496604
C        21.2906854288        4.1282971568        7.7045357179
H        21.4165607089        4.9267470603        6.9589816377
H        21.7339138738        3.2186387424        7.2708148899
C        21.8492202942        3.3633885084       10.0579831505
H        22.3551589124        2.4500389291        9.7119910244
H        22.3381528355        3.6499072291       11.0009667224
C        14.6264606990        3.1198442702        6.2956837365
H        14.5097880307        2.2037198588        6.8918693207
H        13.9755314340        3.0010757737        5.4165915496
C        19.6003176597        2.7575691463        9.0037990337
H        18.5372503619        2.6031233120        9.2311127176
H        19.9710298611        1.8155982992        8.5771161144
C        14.2079168215        4.3320947067        7.1330652039
H        13.1675917880        4.2354520683        7.4714659579
H        14.2443009693        5.2388316704        6.5119467587
C        20.3641365888        3.0626400045       10.3077365894
H        20.2586205877        2.2084261307       10.9936123708
H        19.8970034123        3.9285645970       10.8028380599
C        22.0287033399        4.4714425177        9.0099694466
H        21.6410489354        5.4236318034        9.4040984693
H        23.0954500342        4.6348076387        8.8030573947
C        15.1351140961        4.4937974510        8.3417285893
H        14.8500954907        5.3738114647        8.9355143662
H        15.0260073660        3.6216126514        9.0032145591
C        19.2729069420        2.0540797506        5.7002455732
H        18.7036102029        1.2595503967        6.2039031799
H        20.3320526172        1.8984604973        5.9473261313
H         9.6313541494       15.5392125465        7.4230501782
H         7.5784312160       15.7436595974        6.1174495116
H         7.5572579983       16.2715032552        3.7381052465
H         9.0192452339       15.2945599539        3.5216154428
H         9.1901423376       17.0070211453        3.9050633983
H        11.1237194161       17.3177139366        6.0727609346
H        11.2356839978       16.0896582465        4.8093426563
H        11.8901395248       15.7620891589        6.4268591716
H         7.7232056994        1.1146207007       14.6190648034
H         8.7583279222        1.0754728929       16.7824476794
H         8.9367052409        1.5222553135       12.5241572665
H        10.5582150798        1.2662910342       13.3293035269
H        10.8660415339        3.3370017934       15.0986486425
H        11.2811025919        1.3741861924       17.0395133174
H        11.5112458914        1.0889997408       15.3019356828
H        10.9608322724       -0.2201424463       16.3491212806
H        17.2072596122        7.1787172520        6.0472982071
H        19.2346247456        6.9513863373        7.3857257667
H        21.5112026534        7.1704812125        6.4421368930
H        20.8971825941        7.4858445607        4.8070135709
H        20.7612288172        8.7266531590        6.0562226210
H        17.2284652935        7.7178113738        3.6726512476
H        18.8694272527        8.4299311556        3.8633136614
H        18.6783809594        6.7204255099        3.4727152375
H        17.1270337604        9.9884751596       16.1000627538
H        19.1887393908       10.2053110600       17.3903699507
H        20.6737548186        8.4207018523       16.0347950217
H        20.7791000123        9.6483902401       14.7703357127
H        21.4407271277        9.9773774736       16.3844861501
H        17.0912931050        9.4454339509       13.7244900683
H        18.7276958042        8.7158651123       13.8845951691
H        18.5482232103       10.4258222010       13.4919827555
632
SCF Energy = -4406.9755689237 (a.u.)
Lowest Frequencies = i168.199615  15.639616  18.557516 (cm^-1)
TS(IV-V) / [1-(2-butene)][BArF4]
B         9.5701162301        4.5169520095        5.0054587728
C        10.7818247539        5.5533021615        5.3869829263
C        10.9140753303        6.0972189313        6.6817596522
C        11.8642703806        7.0826099474        6.9867279548
C        12.7205244362        7.5702984386        5.9932366589
C        12.6054891200        7.0424062837        4.7014217314
C        11.6534128339        6.0596766491        4.4082789213
C        12.0002398376        7.5481367589        8.4172368528
C        13.5170096102        7.4975078436        3.5963285150
C         9.2298666420        3.4949852439        6.2248096713
C         7.9393535637        2.9802783250        6.4171146762
C         7.6617168199        2.0457789134        7.4217181629
C         8.6653956091        1.5839666763        8.2689027800
C         9.9640186587        2.0687552007        8.0753741687
C        10.2409605485        2.9961467029        7.0698109140
C         6.2566311888        1.5503598165        7.5688502649
C        11.0392401810        1.5663827660        8.9887301450
F        12.8956001259        8.5693258967        8.5785292531
F        12.3948185018        6.5103183905        9.2439304742
F        14.4845665897        8.3536738303        4.0600468084
F        12.8516898136        8.1533242566        2.5895324561
F        14.1383732683        6.4388140111        2.9672791701
F         6.0677863850        0.7826120405        8.6708480414
F         5.8672751102        0.7811057523        6.4960684609
F         5.3562920237        2.5804538964        7.6215586887
F        10.6074290292        1.5713077727       10.2956031587
F        12.1861097643        2.2941939639        8.9495014362
F        11.4009611100        0.2705719831        8.7272702454
F        10.8205594399        8.0042638418        8.9492316860
H        10.2617106282        5.7400282687        7.4778657620
H        13.4699128605        8.3194667757        6.2246275457
H        11.5948191227        5.6799873549        3.3884486929
H         7.1238601588        3.3209176862        5.7792544567
H         8.4415094622        0.8764441327        9.0604753075
H        11.2631113932        3.3508613447        6.9501212197
F         8.4504354213        8.0729527411        1.2546018056
F         6.3190902985        8.5786457021        1.4779797152
F         8.5355930847        1.5043903901       -0.3031330397
F         4.6536019911        8.3641054536        5.9887716389
F         7.7414223314        0.2197478608        1.2624522358
F        13.0761599189        0.7829832636        1.3183628882
F         6.9644070947        2.2823157527        1.0362148581
F         4.9414882271        6.4387589907        7.0266027333
C        11.4801812345        2.0432830468        2.5714256308
F         6.8962694503        6.5818653168        0.7428991641
C        10.4751582906        1.5622067205        1.7357219091
H        10.7018981734        0.8460834442        0.9524281592
F         6.2931052530        8.1468369548        7.4059609438
C         8.2273735468        6.0815887598        3.3600106201
H         8.8963350624        5.7407188217        2.5708272823
C         9.9092682324        3.5000235830        3.7647732151
C         8.3471947327        5.5355442743        4.6491368656
C        11.2018244089        2.9902909409        3.5658872195
H        12.0195006852        3.3427664286        4.1943285895
C         8.8982482117        2.9846191325        2.9224941986
H         7.8745605899        3.3358307999        3.0408284562
F        13.2767022601        0.7806826053        3.4924937099
C         7.4639731740        6.0338922940        5.6224796711
H         7.5190991213        5.6557736431        6.6429464156
C         6.4031053607        7.5418324546        4.0319498312
H         5.6572520555        8.2926356184        3.7945275626
C         9.1736004272        2.0427703336        1.9239828316
C         7.2775121741        7.0600858931        3.0547287816
C         6.5088526348        7.0123479204        5.3211120241
C         8.1019559410        1.5275907103        1.0033539580
C         7.2244422828        7.5746188171        1.6481177166
C        12.8876367900        1.5497332065        2.4219364536
F        13.7869748623        2.5807226529        2.3652970882
C         5.6023661334        7.4878949139        6.4188482792
B        -0.0331213586       13.0867608633        4.9988247952
C         1.1780980246       14.1205879098        5.3742858546
C         1.3048654251       14.6621617228        6.6697632909
C         2.2527261728       15.6461077185        6.9756787084
C         3.1116087697       16.1355176818        5.9845509648
C         3.0016090455       15.6108539955        4.6929120032
C         2.0508969403       14.6270859094        4.3966129471
C         2.3959929500       16.1202895707        8.3996710603
C         3.9166414316       16.0725116713        3.5936937841
C        -0.3700101804       12.0666209095        6.2200578158
C        -1.6605080770       11.5534588267        6.4142104568
C        -1.9375097789       10.6216410429        7.4212559635
C        -0.9337508292       10.1615231397        8.2690170113
C         0.3651577320       10.6446723958        8.0735746922
C         0.6419009134       11.5688039491        7.0648471801
C        -3.3424450408       10.1278331619        7.5692946750
C         1.4404212419       10.1442755992        8.9881590716
F         3.2957689217       17.1457159843        8.5113694489
F         2.7975409485       15.0938675782        9.2401074892
F         4.8838244508       16.9301717285        4.0601591437
F         3.2525855912       16.7310337955        2.5887085511
F         4.5395980571       15.0154021998        2.9656328773
F        -3.5313138999        9.3598977143        8.6710022774
F        -3.7316707974        9.3583761958        6.4961625172
F        -4.2427357878       11.1578063998        7.6215719011
F         1.0080951122       10.1488250781       10.2953989323
F         2.5868872164       10.8715153233        8.9496984721
F         1.8020005671        8.8477952577        8.7272347408
F         1.2248814179       16.5824116874        8.9478007165
H         0.6500251339       14.3046478726        7.4637170815
H         3.8602074133       16.8845125835        6.2179379825
H         1.9942382477       14.2476267861        3.3764908826
H        -2.4763041920       11.8932378477        5.7762852693
H        -1.1581299206        9.4576075002        9.0635952008
H         1.6641547423       11.9226379986        6.9432759045
F        -1.1481959101       16.6504023798        1.2545944093
F        -3.2797811278       17.1561364274        1.4779797235
F        -1.0641178698       10.0820184165       -0.3045721360
F        -4.9452151994       16.9411755413        5.9886878897
F        -1.8577308647        8.7969720002        1.2617171617
F         3.4775134400        9.3600308322        1.3168481660
F        -2.6345446675       10.8594983259        1.0362024247
F        -4.6574226576       15.0160663371        7.0265319008
C         1.8810437091       10.6194628240        2.5676494329
F        -2.7025552017       15.1593442676        0.7427768400
C         0.8778059631       10.1415153348        1.7280812707
H         1.1056183149        9.4284384713        0.9425412694
F        -3.3057894914       16.7241810656        7.4058288963
C        -1.3738493127       14.6550498147        3.3568658096
H        -0.7057871235       14.3138081023        2.5666241195
C         0.3072163368       12.0712281925        3.7614690527
C        -1.2549162911       14.1076409472        4.6455070086
C         1.6003247644       11.5626278850        3.5645501364
H         2.4164521288       11.9135929383        4.1957485378
C        -0.7023928137       11.5565502971        2.9190654070
H        -1.7265694285       11.9055478394        3.0382176590
F         3.6775721232        9.3582966345        3.4914650246
C        -2.1353172991       14.6082351201        5.6205331813
H        -2.0800207248       14.2290967907        6.6406393511
C        -3.1950144045       16.1183250765        4.0317740343
H        -3.9397559571       16.8704791548        3.7950977278
C        -0.4245960419       10.6184045312        1.9190937402
C        -2.3219238234       15.6358793447        3.0535906758
C        -3.0892405261       15.5886794439        5.3208493171
C        -1.4976815365       10.1041089007        1.0023594620
C        -2.3742785360       16.1517792744        1.6474088865
C         3.2887729539       10.1270051726        2.4202606322
F         4.1879817678       11.1579934666        2.3651601760
C        -3.9961010593       16.0649015908        6.4187085709
B         9.5144140457       12.6675748493       15.0104011134
C        10.7259003350       11.6244283246       15.3699702024
C        10.8519522868       11.0751678276       16.6621601044
C        11.7978325619       10.0881082255       16.9633657468
C        12.6537917696        9.5985604413       15.9700103722
C        12.5441771191       10.1274973059       14.6798301702
C        11.5973389014       11.1181397521       14.3891431052
C        11.9417246044        9.6134374602       18.3864382030
C        13.4598028968        9.6625619662       13.5803538983
C         9.1888186558       13.6818379532       16.2519298303
C         7.9011641446       14.2073106975       16.4358808397
C         7.6149369745       15.1247898689       17.4538353370
C         8.6100597441       15.5620887789       18.3283366580
C         9.9110899255       15.0752611717       18.1472081990
C        10.1908861359       14.1603976547       17.1242021246
C         6.2032517404       15.6133270219       17.5866463677
C        10.9827896483       15.5331730374       19.1011411683
F        12.8408622193        8.5871234208       18.4981103245
F        12.3427095690       10.6389380311       19.2269390410
F        14.4275598662        8.8038239435       14.0468748845
F        12.7972009870        9.0015880692       12.5755854619
F        14.0843114507       10.7174827185       12.9518271616
F         6.0112817398       16.3667604043       18.7089323408
F         5.8166059143       16.3739591654       16.4989461673
F         5.3050942140       14.5775279973       17.6116110716
F        10.5534616851       15.4415107024       20.4138746392
F        12.1265084460       14.7981059226       19.0112421647
F        11.3421433494       16.8576871300       18.9349001513
F        10.7701506887        9.1508383382       18.9344088416
H        10.1982279481       11.4295552251       17.4583227140
H        13.4010064925        8.8472946006       16.2007577534
H        11.5425385256       11.5038295819       13.3712910605
H         7.0918124605       13.8859308584       15.7802816399
H         8.3751464420       16.2501435659       19.1339762950
H        11.2114194341       13.7987133926       17.0120112229
F         8.3970474023        9.0828506799       11.2415766391
F         6.2665786892        8.5783857291       11.4661706634
F         8.4812089304       15.6504892932        9.6837369815
F         4.6005531435        8.7915932649       15.9750225086
F         7.6858691602       16.9355110282       11.2485491827
F        13.0222895089       16.3723008398       11.3028523026
F         6.9105865476       14.8727940181       11.0230618155
F         4.8869971271       10.7166394750       17.0136990113
C        11.4252027001       15.1164577748       12.5572384469
F         6.8425783474       10.5735694138       10.7297285888
C        10.4219967495       15.5908435121       11.7162850917
H        10.6505486078       16.2954923609       10.9230225918
F         6.2392195749        9.0082547823       17.3923746337
C         8.1734605150       11.0932156755       13.3541557669
H         8.8422884277       11.4383692591       12.5661690705
C         9.8488414698       13.6843219851       13.7710849566
C         8.2879749655       11.6431126906       14.6456125463
C        11.1431942842       14.1851480279       13.5649597308
H        11.9596942937       13.8372802534       14.1973472613
C         8.8389794165       14.1949225420       12.9253380267
H         7.8138513784       13.8497629967       13.0483476573
F        13.2233393404       16.3742031485       13.4772605960
C         7.4035130859       11.1382636078       15.6151529367
H         7.4510613414       11.5177175187       16.6357279763
C         6.3576565187        9.6201016147       14.0223238804
H         5.6165061906        8.8645226930       13.7845378432
C         9.1184057078       15.1209578219       11.9142447524
C         7.2299204922       10.1065591724       13.0449337923
C         6.4566506784       10.1510398123       15.3111546609
C         8.0465870646       15.6310749933       10.9926748770
C         7.1733803655        9.5849597124       11.6369954554
C        12.8327567906       15.6051837656       12.4063537166
F        13.7326415176       14.5744085681       12.3516071166
C         5.5488641833        9.6692630735       16.4059002752
B        -0.0848395330        4.0750903472       14.9915769094
C         1.1265069748        3.0393615870       15.3631121901
C         1.2550323390        2.4987924759       16.6587222169
C         2.1999686657        1.5112558451       16.9627635599
C         3.0562436337        1.0195221292       15.9705388944
C         2.9465354575        1.5447432087       14.6790105623
C         1.9968949524        2.5302507926       14.3840589186
C         2.3422130138        1.0351799735       18.3860195582
C         3.8629538431        1.0821390629       13.5802350847
C        -0.4161359942        5.0991254728       16.2146971266
C        -1.7089341541        5.6058140324       16.4099717563
C        -1.9890357573        6.5426655303       17.4106119759
C        -0.9858198157        7.0192834020       18.2502300670
C         0.3163533278        6.5447257960       18.0562822353
C         0.5947617793        5.6101324480       17.0546647354
C        -3.3961111791        7.0297527924       17.5568535292
C         1.3902439772        7.0543133915       18.9714152109
F         3.2417228891        0.0094575062       18.4978132559
F         2.7435101671        2.0614772982       19.2270150173
F         4.8296172247        0.2253882553       14.0467635114
F         3.1984892075        0.4239590738       12.5751722393
F         4.4856225618        2.1398036400       12.9520913925
F        -3.5862511699        7.7957680528       18.6594177715
F        -3.7861368779        7.7970414362       16.4830532695
F        -4.2953885269        5.9978258098       17.6079303608
F         0.9552666697        7.0739221189       20.2782932451
F         2.5261756710        6.2958709126       18.9373204209
F         1.7504642174        8.3589273777       18.7123933859
F         1.1710710896        0.5726988835       18.9341251497
H         0.6032528334        2.8593331503       17.4538206990
H         3.8039673300        0.2693291213       16.2031730516
H         1.9396555910        2.9097423477       13.3639456952
H        -2.5244877495        5.2563871328       15.7772131055
H        -1.2135796486        7.7283017051       19.0390160944
H         1.6182483213        5.2591262715       16.9345934777
F        -1.2020739229        0.5048063435       11.2411265467
F        -3.3333178578       -0.0006173133       11.4649491508
F        -1.1179942629        7.0730749952        9.6822500836
F        -4.9997316583        0.2141793753       15.9751360764
F        -1.9119194268        8.3585830493       11.2482388047
F         3.4237108255        7.7951545877       11.3028640639
F        -2.6882890452        6.2956737039       11.0225815155
F        -4.7120096098        2.1392267154       17.0135685120
C         1.8270670910        6.5386097482       12.5548336908
F        -2.7564952917        1.9957416664       10.7292407618
C         0.8236059354        7.0172409598       11.7157453735
H         1.0512017505        7.7303364170       10.9296078921
F        -3.3599092243        0.4309324976       17.3918204499
C        -1.4270976248        2.5049258943       13.3461613031
H        -0.7582940863        2.8463489543       12.5565793169
C         0.2539411518        5.0900224550       13.7527932576
C        -1.3100641225        3.0543871888       14.6352288740
C         1.5471564180        5.5969980739       13.5533368412
H         2.3640649363        5.2460817963       14.1836955400
C        -0.7557856558        5.6037641811       12.9098678110
H        -1.7798907368        5.2551902561       13.0306292441
F         3.6239602728        7.7970364379       13.4780378769
C        -2.1936841723        2.5540824110       15.6079463753
H        -2.1413690557        2.9338475604       16.6279668396
C        -3.2464272154        1.0383016701       14.0194545513
H        -3.9888129682        0.2836883513       13.7826327679
C        -0.4785962597        6.5399347527       11.9076054832
C        -2.3735659324        1.5219197118       13.0414770555
C        -3.1446856292        1.5703504657       15.3078540563
C        -1.5516356865        7.0520035561       10.9892322765
C        -2.4273510354        1.0040887378       11.6349153848
C         3.2348828813        7.0291528386       12.4066323964
F         4.1336786591        5.9972118256       12.3516659977
C        -4.0516124742        1.0921095681       16.4055517862
C         9.2502442827        1.6531781252       13.3532964964
C         8.6758307062        1.2081710971       14.5622930174
C         9.4760882681        1.0436539237       15.7331089381
C        10.8904666624        0.5030941421       15.7084741980
C         8.8657950480        4.7189135823       11.8725174184
C         7.3649336116        4.5003430070       12.1532077729
C         6.6188845556        4.1614092555       10.8519391181
C         6.8027935908        5.2682296133        9.8049992922
C         8.2899462220        5.5517370047        9.5486822444
C         9.0675221590        5.8464566576       10.8466784382
C        11.6144225293        5.0498918717       12.9099216479
C        12.1163965461        3.7356626285       12.2851931937
C        13.5704183163        3.8538322385       11.8097724226
C        14.4899787745        4.2912868295       12.9551123262
C        14.0048154957        5.6091731958       13.5690429580
C        12.5454501863        5.5077871471       14.0507992447
C         9.4081601876        6.5326190950       14.1822178293
H         9.2622773200        3.7846943074       11.4413826905
H        11.6129759513        5.8346473995       12.1348360934
H         7.2246382585        3.7045362726       12.8990917959
H         6.9326589903        5.4144003361       12.5881427525
H         6.9988265629        3.2073537769       10.4546362645
H         5.5520998316        4.0037724600       11.0644154875
H         6.3071528274        6.1859796396       10.1539213058
H         6.3065278996        4.9864243736        8.8648661321
H         8.4011673117        6.4055797472        8.8635323957
H         8.7413468576        4.6802045523        9.0490603469
H        10.1315789106        5.9804298199       10.6126191818
H         8.7169092887        6.7944198045       11.2727109106
H        11.4732417848        3.4381252490       11.4495500670
H        12.0432530203        2.9390454759       13.0421800182
H        13.9001323999        2.8934425923       11.3881754093
H        13.6286673009        4.5869071444       10.9913184164
H        15.5205484675        4.3907713027       12.5879345033
H        14.5136259555        3.5099482021       13.7284673829
H        14.0856417568        6.4125631473       12.8228406273
H        14.6429245483        5.9105129489       14.4131655057
H        12.4772294772        4.7891117700       14.8819794257
H        12.2254384759        6.4842187219       14.4412104883
H         9.9939797535        7.3248305329       13.6937930002
H         8.3536526135        6.7173048898       13.9374046433
P         9.8409345260        4.8802324549       13.4465974628
Rh        9.4956614830        3.1738094092       14.9942960254
P         9.2106643108        4.8808541686       16.4676706479
C         6.4844651826        5.3323796604       15.8374845039
H         6.5655203271        4.5085766049       15.1121167679
H         6.7768108203        6.2516127598       15.3105220710
C         7.4411231281        5.0581458492       17.0151976212
H         7.4393403763        5.9448359932       17.6723571584
C        10.1840107975        4.7755312384       18.0481530115
H         9.8000179447        3.8400520261       18.4915228753
C         6.9886742204        3.8354044383       17.8335273842
H         7.6384193349        3.6991658209       18.7064635188
H         7.1008692625        2.9315740170       17.2142223857
C        11.6910544623        4.5695513728       17.7948470344
H        11.8530645986        3.7653217297       17.0602617995
H        12.1238576113        5.4839329144       17.3607886767
C        12.1973348032        5.3479084190       20.1537208729
H        12.6984457018        6.2676012879       19.8186001002
H        12.6708611198        5.0672514221       21.1058992102
C         5.0288304937        5.4619588977       16.3197491036
H         4.9307931983        6.3551033596       16.9534645774
H         4.3755541173        5.6288464731       15.4500552010
C         9.9557884360        5.9140112019       19.0554838518
H         8.8866713498        6.0492189488       19.2655461355
H        10.3155616799        6.8588113664       18.6283439624
C         4.5905703615        4.2229243681       17.1077564880
H         3.5578310218        4.3341943555       17.4655350571
H         4.5915373720        3.3462231499       16.4441572033
C        10.7037129687        5.6279469380       20.3734275965
H        10.5734456430        6.4823904014       21.0538627766
H        10.2415838909        4.7559841064       20.8631427525
C        12.4129641790        4.2417058107       19.1123601094
H        12.0335394770        3.2843101514       19.5014530572
H        13.4852529854        4.0947982185       18.9221896730
C         5.5291857152        3.9724414607       18.2936765581
H         5.2312986651        3.0671082739       18.8412314083
H         5.4491414178        4.8077016019       19.0062563586
C         9.6241158260        6.5310801982       15.7043117284
H         9.0299853107        7.3144714500       16.1974363549
H        10.6775121561        6.7258578824       15.9469957492
C        18.1017695815        9.5877956873       14.1282618023
C        18.0898589133        9.9315288449       15.5895247347
C        19.2801386422       10.0379597453       16.3158746326
C        20.6127429652        9.5133008641       15.8463894099
C        18.4431394817       13.2717132226       11.8883286970
C        16.9414207671       13.0313548336       12.1512088297
C        16.2079839790       12.6989543011       10.8412129820
C        16.3924284716       13.8128017871        9.8017912540
C        17.8798674516       14.1034504819        9.5568138370
C        18.6408357608       14.4020983928       10.8627941655
C        21.1768044868       13.5572425902       12.9412342519
C        21.6677589125       12.1514966440       12.5438386736
C        23.1090606059       12.1922765300       12.0161100867
C        24.0557735953       12.8291249609       13.0410684254
C        23.5650771197       14.2184491548       13.4673522836
C        22.1174038017       14.1768517183       13.9927013701
C        18.9863331037       15.1376635836       14.1859940128
H        18.8609474703       12.3402057233       11.4678219115
H        21.1919119748       14.2052887961       12.0491001969
H        16.8057665873       12.2250221252       12.8877948391
H        16.4957520924       13.9342185508       12.5961962843
H        16.5960276467       11.7496792858       10.4411123030
H        15.1405351772       12.5347258081       11.0449935389
H        15.8914916955       14.7270359946       10.1526298729
H        15.9028781746       13.5340440082        8.8572445240
H        17.9934722398       14.9588135537        8.8737971907
H        18.3405028646       13.2347627057        9.0609154942
H        19.7051471756       14.5535238258       10.6400355339
H        18.2723205084       15.3438496443       11.2884297378
H        21.0072520118       11.7062202352       11.7909650018
H        21.6163303908       11.5035478773       13.4342234204
H        23.4390032672       11.1748442992       11.7605781255
H        23.1367283094       12.7688154155       11.0790115627
H        25.0695079115       12.8916807997       12.6212617206
H        24.1284245394       12.1789158898       13.9249829692
H        23.6189536359       14.9084018687       12.6124455562
H        24.2205345911       14.6426039308       14.2424287119
H        22.0739964235       13.5769889623       14.9144674273
H        21.7949109224       15.1950279864       14.2523587775
H        19.5822308325       15.9278392641       13.7071821674
H        17.9336338681       15.3341330996       13.9407390703
P        19.3960131946       13.4736297759       13.4724463873
Rh       18.9178521329       11.8073151714       14.9598833732
P        18.7280065675       13.4465427805       16.4351156923
C        16.0048223337       13.8782433744       15.8540523365
H        16.1005536883       13.0057416659       15.1885852256
H        16.2827970889       14.7595014467       15.2580046540
C        16.9805425673       13.7052769030       17.0367391337
H        17.0055238766       14.6493459751       17.6073252567
C        19.7318293222       13.2653741315       17.9877124194
H        19.3312258551       12.3395022273       18.4328449043
C        16.5411786274       12.5708275428       17.9818236727
H        17.1864617557       12.5441984805       18.8690371549
H        16.6723974829       11.6052419637       17.4712511760
C        21.2260822084       13.0245294683       17.6991284921
H        21.3425836078       12.2230247261       16.9553202048
H        21.6689780109       13.9310998463       17.2585616561
C        21.8067494515       13.7954856765       20.0455752746
H        22.3139187374       14.7057313360       19.6932230187
H        22.3015518705       13.5096976826       20.9856486178
C        14.5475314707       14.0127964767       16.3262451411
H        14.4246440517       14.9471915944       16.8921026277
H        13.8920417546       14.0956310776       15.4462419515
C        19.5534589496       14.4084524029       19.0060492947
H        18.4931626357       14.5718765167       19.2394488357
H        19.9279069314       15.3456275585       18.5723353574
C        14.1436418210       12.8249192895       17.2049030088
H        13.1023648710       12.9198680265       17.5399005037
H        14.1904377345       11.8982221172       16.6146244187
C        20.3249107738       14.1037869360       20.3054117141
H        20.2283229746       14.9604031269       20.9896156325
H        19.8573342422       13.2414096339       20.8063533816
C        21.9743855628       12.6836061523       18.9995293246
H        21.5874699876       11.7337492806       19.3999391434
H        23.0392159845       12.5167725943       18.7844685143
C        15.0744952148       12.7144568331       18.4168331901
H        14.7957764617       11.8564856710       19.0451790026
H        14.9640692479       13.6112991068       19.0447663192
C        19.1980389976       15.1058033697       15.7098991746
H        18.6324196759       15.9023126800       16.2144804517
H        20.2584779117       15.2594289485       15.9527778449
C         8.5622421553       16.1409644421        4.1479087444
C         8.5420992493       15.8063209784        5.6114235541
C         9.7276954649       15.7085849742        6.3461425406
C        11.0613739802       16.2351438834        5.8818182177
C         8.9248997956       12.4519944330        1.9346626719
C         7.4227873474       12.6983957526        2.1925615510
C         6.6914990644       13.0257651037        0.8801250102
C         6.8745493560       11.9063496812       -0.1534834436
C         8.3618421070       11.6099967824       -0.3935609056
C         9.1195170804       11.3151955523        0.9157651132
C        11.6558349022       12.1784993526        3.0123555275
C        12.1622336821       13.5988997156        2.6962044019
C        13.5986163108       13.5706222182        2.1561819968
C        14.5406353572       12.8738080959        3.1451614496
C        14.0350409723       11.4721595188        3.5097020581
C        12.5869005379       11.5013047829        4.0361525601
C         9.4525897271       10.5929798754        4.2394744084
H         9.3484104770       13.3791253896        1.5107958430
H        11.6749527963       11.5786276755        2.0871799616
H         7.2876347126       13.5086706177        2.9248491970
H         6.9739954664       11.7990483409        2.6416594510
H         7.0821659614       13.9720778876        0.4757319408
H         5.6241351516       13.1935900148        1.0821012684
H         6.3701210178       10.9954330043        0.2008578434
H         6.3873172888       12.1818534191       -1.1003759502
H         8.4744718524       10.7517335533       -1.0729972155
H         8.8260075747       12.4752831085       -0.8918983458
H        10.1835636137       11.1572868610        0.6958387805
H         8.7456998170       10.3777594485        1.3460114672
H        11.5019081831       14.0970367693        1.9791211406
H        12.1260284495       14.1905362885        3.6254328735
H        13.9386016459       14.5961342935        1.9514426688
H        13.6159495935       13.0425950647        1.1905263317
H        15.5518141241       12.8180088764        2.7184644798
H        14.6248380729       13.4820637419        4.0574376951
H        14.0829259458       10.8200791613        2.6252373826
H        14.6863691251       11.0089978680        4.2652330254
H        12.5486794729       12.0595035539        4.9839077316
H        12.2556795139       10.4753636487        4.2494795926
H        10.0469029640        9.7993204102        3.7646178172
H         8.3998228333       10.3995344124        3.9922330608
P         9.8684158757       12.2544585049        3.5252495024
Rh        9.3771782145       13.9270299553        4.9996980774
P         9.1849530471       12.2926025643        6.4793004230
C         6.4659507362       11.8483921653        5.8883958718
H         6.5638442680       12.7151769361        5.2157562781
H         6.7476800064       10.9620478666        5.3018028866
C         7.4358334607       12.0332510806        7.0741618461
H         7.4600992873       11.0942111102        7.6530428454
C        10.1848867689       12.4815987019        8.0327677301
H         9.7825753937       13.4084870934        8.4741211035
C         6.9905153134       13.1752100699        8.0068570717
H         7.6312915936       13.2103851552        8.8968523309
H         7.1233747519       14.1364200624        7.4885224270
C        11.6789600985       12.7233417367        7.7438567821
H        11.7949007392       13.5219178501        6.9967234140
H        12.1231258660       11.8153938352        7.3073660247
C        12.2597543179       11.9604939436       10.0923287192
H        12.7684640090       11.0499228141        9.7430219331
H        12.7532641699       12.2501887047       11.0317772906
C         5.0064718992       11.7163058789        6.3546620773
H         4.8820068746       10.7867982569        6.9282860936
H         4.3554172122       11.6245872693        5.4721833063
C        10.0072319088       11.3416769515        9.0546462257
H         8.9468587432       11.1790816997        9.2881206269
H        10.3820430187       10.4030155532        8.6242811979
C         4.5964619186       12.9110886505        7.2210901342
H         3.5540849138       12.8166592706        7.5528713372
H         4.6439787857       13.8327909492        6.6229923805
C        10.7782871915       11.6512300761       10.3528811884
H        10.6829832537       10.7963831081       11.0394849546
H        10.3100446115       12.5146118176       10.8512594328
C        12.4262389294       13.0695456085        9.0432086343
H        12.0376505115       14.0198441832        9.4406734589
H        13.4908294649       13.2374458849        8.8279708598
C         5.5222301605       13.0336277010        8.4357026743
H         5.2398853037       13.8965607565        9.0554192258
H         5.4101812247       12.1420353104        9.0707155776
C         9.6610298955       10.6307310806        5.7633890327
H         9.0961661513        9.8351810313        6.2703006958
H        10.7214286839       10.4804652780        6.0085408233
C        18.2273071595        7.5735071311        4.1010928187
C        18.1818007085        7.2369349899        5.5626178429
C        19.3543304522        7.1261526689        6.3157813074
C        20.7007396026        7.6410492044        5.8763763440
C        18.5117068345        3.8897040443        1.8850254951
C        17.0114603242        4.1270765606        2.1586183543
C        16.2672037669        4.4570755056        0.8540893162
C        16.4475926119        3.3433708428       -0.1861821816
C        17.9341273783        3.0590294354       -0.4431120736
C        18.7066684663        2.7619733541        0.8562482019
C        21.2523769099        3.5870068908        2.9203124291
C        21.7381847321        4.9766598186        2.4648154547
C        23.1832745726        4.9237323410        1.9481364229
C        24.1273527055        4.3332055846        3.0027127681
C        23.6440736467        2.9561551601        3.4740445725
C        22.1950564951        3.0091282922        3.9938072719
C        19.0656522009        2.0234263895        4.1794699658
H        18.9240047137        4.8232339211        1.4636968579
H        21.2642456862        2.9039079976        2.0546677879
H        16.8805470869        4.9339105218        2.8955844488
H        16.5706093969        3.2238207858        2.6075105935
H        16.6490761891        5.4075119483        0.4507426408
H        15.2008020561        4.6178776901        1.0664711384
H        15.9534127900        2.4272307993        0.1692744776
H        15.9494689031        3.6187381832       -1.1272298500
H        18.0457321482        2.2049995232       -1.1280826996
H        18.3872914381        3.9302060801       -0.9416150535
H        19.7700571754        2.6174233137        0.6251781256
H        18.3468595391        1.8170958504        1.2828607022
H        21.0798831747        5.3835045022        1.6885378523
H        21.6769046710        5.6644489130        3.3244152024
H        23.5084328312        5.9324588219        1.6551348364
H        23.2204833879        4.3106272445        1.0346599862
H        25.1447812655        4.2654716422        2.5931734745
H        24.1873687212        5.0149613336        3.8635034626
H        23.7036933236        2.2387357921        2.6425078715
H        24.2991680227        2.5614152697        4.2649633895
H        22.1461779964        3.6396000870        4.8947953195
H        21.8765062295        1.9989464872        4.2874733287
H        19.6647136902        1.2338851068        3.7035323742
H        18.0142160942        1.8244468548        3.9311781065
P        19.4761208415        3.6861457861        3.4620819958
Rh       19.0113020131        5.3563152198        4.9482936955
P        18.8039517772        3.7182509471        6.4236207361
C        16.0843401691        3.2565461055        5.8329644149
H        16.1747553248        4.1120648142        5.1454047352
H        16.3706671199        2.3616062894        5.2618434515
C        17.0531038190        3.4679010802        7.0145188867
H        17.0770576310        2.5410900332        7.6127678769
C        19.7965305442        3.8992061359        7.9837437603
H        19.3982143934        4.8294029020        8.4217679526
C        16.6040105266        4.6288777887        7.9211547860
H        17.2457112671        4.6884933207        8.8092742532
H        16.7318578124        5.5773126108        7.3789049715
C        21.2940484666        4.1309289074        7.7048443803
H        21.4198120874        4.9289003190        6.9587629146
H        21.7358023272        3.2206397581        7.2709520990
C        21.8541480830        3.3670813486       10.0583998157
H        22.3587417809        2.4528130006        9.7128834483
H        22.3442215300        3.6537825105       11.0007025500
C        14.6270423746        3.1222257891        6.3056206447
H        14.5125144451        2.2042548118        6.8993784921
H        13.9744861705        3.0052572492        5.4274235492
C        19.6038143886        2.7624412314        9.0067766261
H        18.5408461700        2.6087367010        9.2350456217
H        19.9737030587        1.8199479614        8.5804474540
C        14.2086582004        4.3316401597        7.1473604371
H        13.1687871632        4.2332407540        7.4865970856
H        14.2435291855        5.2402256070        6.5288435755
C        20.3689657660        3.0682088945       10.3097230389
H        20.2631890580        2.2148613728       10.9966576272
H        19.9030380698        3.9350846434       10.8042817720
C        22.0343018091        4.4739672611        9.0092126131
H        21.6486201104        5.4271136697        9.4029738845
H        23.1012490934        4.6354303544        8.8011294379
C        15.1375569026        4.4907846796        8.3553131246
H        14.8520342146        5.3681452935        8.9528923014
H        15.0313318591        3.6161815068        9.0142141818
C        19.2724246353        2.0570506589        5.7040612563
H        18.7027055044        1.2631238821        6.2081711596
H        20.3314601084        1.9009573933        5.9513275054
H         9.6295599937       15.5406235088        7.4190579135
H         7.5774232288       15.7443714850        6.1121640275
H         7.5576794702       16.2721644828        3.7328857943
H         9.0201747914       15.2956725106        3.5174100263
H         9.1902217551       17.0082300213        3.9008134736
H        11.1218712888       17.3204437765        6.0715764363
H        11.2351017254       16.0941403188        4.8066202290
H        11.8890883107       15.7647782459        6.4239126003
H         7.5887942583        1.1847998738       14.6602457527
H         8.9231345850        0.8276800060       16.6489602559
H         8.5981279814        1.8456400669       12.5057602002
H        10.2819306165        1.4155222769       13.0968770027
H        10.0443405227        2.8372171843       16.4210941758
H        11.4451024265        0.7846230313       16.6107235599
H        11.4691732528        0.8399681452       14.8422370007
H        10.8499289433       -0.5973415330       15.6717015555
H        17.2086897291        7.1809792982        6.0474840079
H        19.2361173173        6.9542840755        7.3861965559
H        21.5125283749        7.1730555793        6.4435847483
H        20.8995518869        7.4845689686        4.8073665864
H        20.7629216473        8.7283965105        6.0535229164
H        17.2307067542        7.7191588569        3.6722284865
H        18.8717713203        8.4309792096        3.8632661584
H        18.6804938311        6.7213915802        3.4733232646
H        17.1282849027        9.9940200683       16.0960789011
H        19.1883859461       10.2123355928       17.3883757971
H        20.6761153920        8.4280587549       16.0357716599
H        20.7818938178        9.6547163914       14.7703238268
H        21.4416425699        9.9854748943       16.3849346390
H        17.0950509170        9.4501436643       13.7206394233
H        18.7318595844        8.7218385257       13.8822153011
H        18.5514564450       10.4316130321       13.4891578955
632
SCF Energy = -4406.9891078308 (a.u.)
Lowest Frequencies = 8.256612  16.524925  19.125966 (cm^-1)
V (cisoid) / [1-(1-butene)][BArF4]
B         9.5702535902        4.5171931794        5.0053113735
C        10.7820105795        5.5532239673        5.3867736242
C        10.9136950571        6.0976735157        6.6814089409
C        11.8642914845        7.0826102495        6.9865083529
C        12.7208113593        7.5698631099        5.9930156421
C        12.6058218251        7.0418744897        4.7012119420
C        11.6538686993        6.0590664175        4.4079588100
C        12.0004140254        7.5479397159        8.4170851972
C        13.5170982404        7.4970541048        3.5958785602
C         9.2295735233        3.4954866157        6.2247862823
C         7.9391340557        2.9806661628        6.4173633882
C         7.6617804659        2.0454430021        7.4214405948
C         8.6658867774        1.5827800891        8.2675911030
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C        11.7995612313       10.0834617731       16.9642566228
C        12.6559689217        9.5948769197       15.9709091547
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C        11.5984364982       11.1140686195       14.3908089749
C        11.9420582033        9.6107002094       18.3873824532
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C         9.9164718529       15.0602223864       18.1576229119
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C         6.2180129983       15.6031629859       17.5977036257
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C        12.0803895268        3.8081585846       12.2414066634
C        13.5417735447        3.9379475350       11.7917086571
C        14.4433980192        4.3265515444       12.9681848158
C        13.9536034805        5.6282295281       13.6113832977
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C         9.3478974046        6.5670994708       14.1697163889
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H        13.6187139041        4.6999652167       11.0020219360
H        15.4825222729        4.4293512889       12.6262638308
H        14.4448592222        3.5199855495       13.7159493399
H        14.0507786588        6.4501991540       12.8880973734
H        14.5779614139        5.9037606003       14.4743009710
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H         9.9213727737        7.3637841273       13.6737129324
H         8.2882225920        6.7402158482       13.9375618794
P         9.7814468057        4.9147473842       13.4288196938
Rh        9.4057512014        3.2500554113       14.8800834809
P         9.1716960723        4.8987819050       16.4171003909
C         6.4403210072        5.4825408196       15.8830144419
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H         6.7399401549        6.4551407179       15.4671724557
C         7.4090125297        5.0525936715       17.0025570720
H         7.4210878997        5.8466752829       17.7680830036
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H         9.7174320976        3.7952728687       18.4269726352
C         6.9415888527        3.7401668495       17.6602075426
H         7.6092304499        3.4606536183       18.4837411860
H         7.0026862940        2.9313243236       16.9141035312
C        11.6388289058        4.4196935432       17.7135190643
H        11.7359931207        3.5974712529       16.9875878517
H        12.1111763681        5.3023826827       17.2555058207
C        12.2210847113        5.2032146105       20.0586839634
H        12.7475667032        6.1004556537       19.7013870381
H        12.7058286933        4.9151688882       21.0032591037
C         4.9955602742        5.5775910625       16.4072017880
H         4.9286097048        6.3900085815       17.1449748491
H         4.3284926920        5.8613725783       15.5793431773
C         9.9914014557        5.8575887347       19.0017739822
H         8.9330774214        6.0461401950       19.2258505084
H        10.3907675616        6.7839776481       18.5677172899
C         4.5424453721        4.2632267039       17.0527119612
H         3.5220866657        4.3564739389       17.4487276176
H         4.5046790882        3.4717080451       16.2902685693
C        10.7444735352        5.5417859838       20.3086418696
H        10.6596139273        6.4018144820       20.9900437391
H        10.2566921423        4.6897503969       20.8080863262
C        12.3700476076        4.0786556991       19.0238498867
H        11.9589861935        3.1424130079       19.4319899658
H        13.4319212541        3.8845650141       18.8173353707
C         5.4996487753        3.8483634723       18.1760569840
H         5.1927714851        2.8895202446       18.6169873899
H         5.4575449612        4.5907009562       18.9881169603
C         9.5761549508        6.5657253296       15.6930355090
H         8.9802071805        7.3445753371       16.1903784266
H        10.6294844930        6.7660083783       15.9305818339
C        18.0940397681        9.5763843978       14.1371019568
C        18.0871272796        9.9218073099       15.5979856534
C        19.2798811604       10.0286036141       16.3202162998
C        20.6107489023        9.5035005734       15.8463448203
C        18.4407674520       13.2642400822       11.8928599912
C        16.9392696975       13.0209556317       12.1544865501
C        16.2068306370       12.6906965291       10.8433879408
C        16.3903651563       13.8069822227        9.8064069162
C        17.8775840881       14.1002022743        9.5629576096
C        18.6369041651       14.3976419555       10.8702187869
C        21.1735941265       13.5473528951       12.9476806788
C        21.6661377666       12.1411558625       12.5539305598
C        23.1067056233       12.1831163763       12.0242713476
C        24.0536842675       12.8239102927       13.0466086291
C        23.5611084147       14.2130992811       13.4713569079
C        22.1137398231       14.1702519750       13.9976092534
C        18.9828919156       15.1278567855       14.1918139180
H        18.8602807516       12.3344886943       11.4701458620
H        21.1884148228       14.1931164806       12.0538848250
H        16.8044365046       12.2126090805       12.8889993566
H        16.4922127780       13.9220769159       12.6016273490
H        16.5961528531       11.7427013011       10.4414948782
H        15.1395289196       12.5246284528       11.0464285830
H        15.8880413116       14.7198168674       10.1589552183
H        15.9016683981       13.5295185518        8.8610320829
H        17.9904631343       14.9568660723        8.8814513560
H        18.3398694015       13.2330054489        9.0659587314
H        19.7010511450       14.5521584775       10.6485713372
H        18.2657648253       15.3376022180       11.2977283210
H        21.0054877557       11.6925336363       11.8031561254
H        21.6168364894       11.4958277686       13.4462923693
H        23.4381100322       11.1656272042       11.7708115090
H        23.1321981735       12.7573494188       11.0857148119
H        25.0667121320       12.8875805421       12.6251579169
H        24.1288593208       12.1754020688       13.9315332659
H        23.6135167587       14.9021903563       12.6156595236
H        24.2165184371       14.6389628610       14.2456104976
H        22.0716530461       13.5718110731       14.9203608009
H        21.7900113186       15.1884461540       14.2557193867
H        19.5785527962       15.9181650826       13.7129523145
H        17.9301249266       15.3242688098       13.9467793122
P        19.3923877937       13.4639494886       13.4779967891
Rh       18.9137366203       11.7974484852       14.9652751331
P        18.7247950914       13.4364632703       16.4406877575
C        16.0017686599       13.8662371130       15.8591328322
H        16.0970688296       12.9918975097       15.1959592683
H        16.2800209329       14.7457744399       15.2607514134
C        16.9774573095       13.6958537073       17.0422050922
H        17.0022976325       14.6410859423       17.6109024579
C        19.7287894008       13.2559271523       17.9933230901
H        19.3276616215       12.3308352290       18.4395597104
C        16.5381412288       12.5634268250       17.9896193205
H        17.1836042075       12.5384708297       18.8766599157
H        16.6688534910       11.5966646338       17.4811140388
C        21.2227550918       13.0136966396       17.7043878660
H        21.3382713672       12.2110207781       16.9616740446
H        21.6658402799       13.9193670305       17.2621835660
C        21.8049950006       13.7872428508       20.0496494948
H        22.3120517634       14.6970971026       19.6961251002
H        22.3001806085       13.5022456434       20.9897727825
C        14.5446555180       14.0026355285       16.3312280251
H        14.4222312577       14.9387804568       16.8944309591
H        13.8891227941       14.0831818903       15.4510387387
C        19.5515127686       14.4001448922       19.0107076010
H        18.4913711676       14.5642215668       19.2444409986
H        19.9262320972       15.3369294467       18.5762539452
C        14.1407292727       12.8169310169       17.2127752065
H        13.0995133057       12.9121864075       17.5476858800
H        14.1873595941       11.8889909122       16.6244296276
C        20.3233369099       14.0959581751       20.3099343191
H        20.2272025427       14.9528735192       20.9938440210
H        19.8559184546       13.2338791714       20.8114408612
C        21.9716784470       12.6741139143       19.0047832107
H        21.5846149950       11.7249043662       19.4065202615
H        23.0363122871       12.5063094770       18.7893395789
C        15.0716783710       12.7085203282       18.4247702642
H        14.7925764052       11.8518154587       19.0546108507
H        14.9618810210       13.6066101846       19.0510751505
C        19.1948842115       15.0957532947       15.7156154622
H        18.6293907282       15.8921681930       16.2204758904
H        20.2553722383       15.2491849803       15.9583643451
C         8.5500135726       16.1396992941        4.1598498179
C         8.5355844583       15.8022864892        5.6229298300
C         9.7239699780       15.7043079324        6.3532097348
C        11.0556259881       16.2324312670        5.8848147301
C         8.9211597468       12.4503379137        1.9400880149
C         7.4189036554       12.6962749432        2.1974666246
C         6.6880269576       13.0234523997        0.8847993438
C         6.8718499424       11.9042784808       -0.1489451955
C         8.3592421284       11.6075647815       -0.3881121050
C         9.1162314374       11.3131746034        0.9216579793
C        11.6517062030       12.1802716853        3.0185762088
C        12.1578400927       13.6024640421        2.7099184422
C        13.5935923647       13.5768485386        2.1679323798
C        14.5366188435       12.8745557742        3.1521660076
C        14.0310312405       11.4713289124        3.5107112973
C        12.5833209341       11.4981055922        4.0385637287
C         9.4492811247       10.5906885541        4.2436720057
H         9.3447466897       13.3774599236        1.5162421158
H        11.6710513212       11.5852456131        2.0902761593
H         7.2831237174       13.5064585637        2.9297453044
H         6.9703064371       11.7967362142        2.6463195032
H         7.0787349459       13.9700210109        0.4811080987
H         5.6205647772       13.1910302675        1.0864046888
H         6.3669263106       10.9934546452        0.2048357686
H         6.3852158285       12.1798275211       -1.0961708164
H         8.4720371719       10.7489330631       -1.0670697121
H         8.8240091513       12.4723903827       -0.8865265890
H        10.1803126620       11.1547583126        0.7020829749
H         8.7420288691       10.3760212903        1.3520440673
H        11.4964467676       14.1050118333        1.9968031164
H        12.1229649814       14.1885813406        3.6426646878
H        13.9336606632       14.6033901762        1.9684881225
H        13.6097313844       13.0539841422        1.1994407187
H        15.5472138401       12.8203428330        2.7238324378
H        14.6223618336       13.4783740621        4.0672669095
H        14.0780915946       10.8231359778        2.6233269493
H        14.6829806716       11.0047673728        4.2635791731
H        12.5459676086       12.0518350893        4.9889743698
H        12.2521952756       10.4711924930        4.2472269790
H        10.0438090205        9.7976980467        3.7679732937
H         8.3965545365       10.3969503664        3.9964393590
P         9.8639584575       12.2530437672        3.5310721094
Rh        9.3704507978       13.9240838015        5.0068071005
P         9.1809955206       12.2881803960        6.4850162042
C         6.4623212055       11.8464843741        5.8939149122
H         6.5619489842       12.7143797089        5.2229561376
H         6.7431348735       10.9608248783        5.3058168666
C         7.4321631752       12.0276675112        7.0803890199
H         7.4561114004       11.0871096258        7.6567825223
C        10.1819538337       12.4766111500        8.0378402660
H         9.7792427126       13.4027368831        8.4804651627
C         6.9877467665       13.1675318214        8.0162106708
H         7.6279244636       13.1988547014        8.9068761676
H         7.1224389763       14.1301667771        7.5010539906
C        11.6756231458       12.7196474359        7.7479863537
H        11.7904275651       13.5190161340        7.0015429639
H        12.1199929601       11.8123803527        7.3102723427
C        12.2587976851       11.9548910405       10.0952946538
H        12.7680424444       11.0450188542        9.7449398260
H        12.7526697996       12.2441139238       11.0346782678
C         5.0023367988       11.7158763532        6.3588405176
H         4.8756529572       10.7853098868        6.9302037971
H         4.3518160116       11.6274548390        5.4756127364
C        10.0059184765       11.3354765983        9.0585817053
H         8.9458816338       11.1717589846        9.2926241915
H        10.3811042344       10.3975966432        8.6269356099
C         4.5940297618       12.9095113629        7.2276288058
H         3.5511350076       12.8165913713        7.5581442845
H         4.6441457809       13.8325420612        6.6318242500
C        10.7777818180       11.6441013874       10.3565425140
H        10.6837181735       10.7884896628       11.0423386263
H        10.3092266738       12.5066244004       10.8561173441
C        12.4237515152       13.0649925235        9.0470560118
H        12.0348573169       14.0146806862        9.4456978808
H        13.4880619369       13.2338153907        8.8311370338
C         5.5188721652       13.0269335599        8.4434486261
H         5.2372298021       13.8885270868        9.0653653603
H         5.4047853752       12.1336417224        9.0756424441
C         9.6579709868       10.6272412532        5.7675553489
H         9.0937017032        9.8308669256        6.2738400176
H        10.7185230186       10.4773830709        6.0123154229
C        18.2264779402        7.5610922543        4.1008323631
C        18.1800550860        7.2245319278        5.5623916205
C        19.3519713362        7.1156547546        6.3169727518
C        20.6986747337        7.6303272140        5.8777965167
C        18.5088478467        3.8804076950        1.8909549455
C        17.0080865895        4.1116313565        2.1660534169
C        16.2649349229        4.4511392531        0.8634233959
C        16.4473149292        3.3456130958       -0.1851302782
C        17.9343756931        3.0651371678       -0.4434896540
C        18.7083254454        2.7614843734        0.8536367226
C        21.2501425628        3.5603537120        2.9225329948
C        21.7315051908        4.9348876406        2.4191078536
C        23.1814211582        4.8740910554        1.9162922315
C        24.1207359841        4.3276504215        2.9984203502
C        23.6446393834        2.9615718029        3.5068889491
C        22.1923227902        3.0203414519        4.0161783679
C        19.0607978272        2.0108191905        4.1862735222
H        18.9171721862        4.8186490395        1.4763898747
H        21.2622833115        2.8480243741        2.0807693391
H        16.8751917690        4.9121251167        2.9095983963
H        16.5687816192        3.2037064827        2.6069363761
H        16.6465923602        5.4049683689        0.4678834643
H        15.1982240247        4.6096493950        1.0753032864
H        15.9539226649        2.4262681945        0.1630596848
H        15.9491992239        3.6282884133       -1.1239916978
H        18.0472238194        2.2154208370       -1.1336324633
H        18.3860302339        3.9399377694       -0.9369227828
H        19.7723792709        2.6240176831        0.6212857807
H        18.3532281767        1.8117581184        1.2732922555
H        21.0772161534        5.3065906003        1.6221098091
H        21.6582313052        5.6554526304        3.2505602404
H        23.5017605549        5.8742565433        1.5904278127
H        23.2303378301        4.2289557320        1.0255571705
H        25.1430883121        4.2574119628        2.6017308405
H        24.1652433792        5.0365266796        3.8379335247
H        23.7146128914        2.2212146865        2.6966946397
H        24.2969258517        2.5942934367        4.3132666409
H        22.1342508497        3.6758674795        4.8985048678
H        21.8782243260        2.0170223755        4.3372323274
H        19.6602529159        1.2201274593        3.7126958260
H        18.0096592798        1.8121488716        3.9364640735
P        19.4751151633        3.6716963232        3.4660457156
Rh       19.0135270809        5.3446619074        4.9508873069
P        18.8007898688        3.7092972246        6.4285700450
C        16.0794788895        3.2560573124        5.8397669809
H        16.1709295785        4.1130435409        5.1542050618
H        16.3636287304        2.3620994981        5.2660326712
C        17.0497951051        3.4627231139        7.0208204975
H        17.0722435096        2.5345454255        7.6170555581
C        19.7934682607        3.8907556310        7.9885957539
H        19.3946067893        4.8207982853        8.4264518978
C        16.6043310394        4.6224860087        7.9306631338
H        17.2462527748        4.6775699916        8.8189192933
H        16.7348114567        5.5722569077        7.3913692080
C        21.2908341012        4.1233393835        7.7101775487
H        21.4160674807        4.9216735902        6.9644031145
H        21.7333596162        3.2135952098        7.2760026402
C        21.8507551906        3.3601122172       10.0638572866
H        22.3561359933        2.4461630257        9.7186167269
H        22.3402293775        3.6473647318       11.0063019759
C        14.6223317812        3.1237097872        6.3134119716
H        14.5063662571        2.2048166007        6.9055050276
H        13.9687353717        3.0099305127        5.4355588783
C        19.6010245191        2.7541195216        9.0117044047
H        18.5381318257        2.5998772536        9.2397775518
H        19.9714395704        1.8118240855        8.5855887883
C        14.2074849470        4.3325302296        7.1577431121
H        13.1677576594        4.2360412334        7.4978889274
H        14.2438443871        5.2421041814        6.5407470826
C        20.3657469512        3.0603302876       10.3147645744
H        20.2602814982        2.2070022919       11.0017467945
H        19.8993431894        3.9270525228       10.8091597476
C        22.0303930809        4.4669935532        9.0146785317
H        21.6437902200        5.4197827242        9.4083857158
H        23.0972178830        4.6293183864        8.8068760970
C        15.1377466001        4.4874345469        8.3651042080
H        14.8548791627        5.3645405177        8.9641512665
H        15.0295411698        3.6123376174        9.0229986020
C        19.2647079321        2.0458610403        5.7113559044
H        18.6909838893        1.2546712243        6.2152342807
H        20.3225272857        1.8860256801        5.9612969866
H         9.6298564767       15.5349126903        7.4262957331
H         7.5728366873       15.7391760756        6.1271753317
H         7.5436572517       16.2700347349        3.7488165038
H         9.0071735394       15.2964062488        3.5265858263
H         9.1754472030       17.0087102178        3.9122683417
H        11.1162631919       17.3174158109        6.0762594678
H        11.2252316594       16.0935759021        4.8086734187
H        11.8857333492       15.7615411419        6.4228377052
H         7.6276003821        1.2682161686       14.1699018664
H         8.5143307072        0.4809794137       16.2782461827
H         9.0799334248        1.8158300306       12.2679670408
H        10.5920662583        1.3745476554       13.2224399227
H         9.3342969664        2.0109154250       16.2835779670
H        11.0013757293        0.2964053534       16.7601212715
H        11.3869363181        0.8747367367       15.1407609497
H        10.5735308315       -0.6923813483       15.3435317282
H        17.2065643111        7.1679451513        6.0465133981
H        19.2329313183        6.9447768888        7.3874366494
H        21.5096126097        7.1686159772        6.4513523350
H        20.9014501288        7.4652672435        4.8106493455
H        20.7579456457        8.7192974746        6.0459901899
H        17.2299391093        7.7043836191        3.6709299977
H        18.8690379638        8.4202898601        3.8638304884
H        18.6824569691        6.7100815238        3.4740138140
H        17.1273331992        9.9844874790       16.1078764526
H        19.1919133762       10.2034575969       17.3929029112
H        20.6743850201        8.4182751925       16.0358583237
H        20.7762677455        9.6443620978       14.7696585540
H        21.4416078421        9.9754456671       16.3820357937
H        17.0858931690        9.4391891349       13.7328702191
H        18.7223819745        8.7093397536       13.8902816435
H        18.5427420075       10.4188047467       13.4958126008
632
SCF Energy = -4406.9857572161 (a.u.)
Lowest Frequencies = 7.177662  18.805232  23.296878 (cm^-1)
V (transoid) / [1-(1-butene)][BArF4]
B         9.5738340965        4.5249358683        5.0168332948
C        10.7826694960        5.5603486736        5.3936304804
C        10.9151112813        6.1049063677        6.6865461286
C        11.8679222826        7.0873065465        6.9885377923
C        12.7246112749        7.5729720364        5.9946841763
C        12.6065798496        7.0453625425        4.7029414837
C        11.6529755235        6.0639546709        4.4124881162
C        12.0016776506        7.5505686601        8.4178168733
C        13.5175938795        7.4980427851        3.5965055226
C         9.2302378958        3.5033077373        6.2353136631
C         7.9400107128        2.9863244126        6.4238888801
C         7.6621927150        2.0467824949        7.4238922823
C         8.6654026261        1.5826176986        8.2703224502
C         9.9632297428        2.0709192850        8.0813510866
C        10.2402240144        3.0030455228        7.0803589634
C         6.2570138450        1.5504558584        7.5692562588
C        11.0392358133        1.5682070580        8.9930628707
F        12.8963487316        8.5708909153        8.5795057248
F        12.3948851857        6.5112586353        9.2434242547
F        14.4850815115        8.3539192337        4.0598602960
F        12.8516825643        8.1533619698        2.5895569947
F        14.1381467074        6.4388596036        2.9673428674
F         6.0677466797        0.7825818540        8.6708269276
F         5.8675415015        0.7811462394        6.4961628628
F         5.3563986597        2.5803513334        7.6214348125
F        10.6088081210        1.5727505816       10.3014099771
F        12.1865205459        2.2947440215        8.9498894862
F        11.4005340493        0.2723278189        8.7281348842
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C        11.7979694460       10.0854687011       16.9630745063
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C        12.5440292393       10.1265751241       14.6799391357
C        11.5946673851       11.1145970528       14.3886483064
C        11.9421291545        9.6126752636       18.3865793962
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C         9.1563099453       13.6320670520       16.2697224727
C         7.8530461131       14.0929496661       16.5104503911
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C         9.8743913986       14.9827691743       18.1885497549
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C         6.1489273963       15.4539918386       17.7117775312
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F        12.3428093211       10.6386465533       19.2266191794
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H         8.4797878267        6.7721199403       13.8792948811
P        10.0766567739        5.0050016428       13.4435006848
Rh        9.8072136624        3.3641822117       14.9345298545
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C         6.5604756400        5.3587766367       15.7493625708
H         6.6993130640        4.5033747929       15.0707086834
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H         7.4701401886        6.1193437935       17.5556325331
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C         7.0792695658        4.0130749068       17.8493247672
H         7.7018234013        3.9711098609       18.7518808342
H         7.2484596621        3.0712225627       17.3063248872
C        11.7322681545        4.5843179441       17.7579763301
H        11.8729513017        3.7939170541       17.0036993183
H        12.1915050593        5.4959865836       17.3465805361
C        12.2247118545        5.2942428865       20.1440424777
H        12.7368066319        6.2166371185       19.8333372069
H        12.6906954148        4.9855316759       21.0912751447
C         5.0869432967        5.4413218393       16.1841745627
H         4.9249308746        6.3605093884       16.7648186841
H         4.4541390426        5.5251888312       15.2880863056
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H         8.9315110263        6.0636639829       19.2503380623
H        10.3768867644        6.8745643281       18.6575912286
C         4.6876086173        4.2267494470       17.0286676222
H         3.6376596473        4.2995054843       17.3456763858
H         4.7589899617        3.3139086111       16.4191399855
C        10.7330000350        5.5854391525       20.3642799408
H        10.6081494641        6.4218742500       21.0682503413
H        10.2569765260        4.7059101428       20.8260299066
C        12.4320154899        4.2114119330       19.0758845978
H        12.0312934226        3.2518201224       19.4375082358
H        13.5036770150        4.0493668096       18.8951936089
C         5.5987366987        4.1023864070       18.2547468084
H         5.3313516475        3.2181892585       18.8513139441
H         5.4523983614        4.9750916995       18.9090951961
C         9.7059477954        6.6854353238       15.6821096463
H         9.0893285111        7.4736937080       16.1376286945
H        10.7498272456        6.8961169130       15.9527230883
C        18.0756071728        9.5715905098       14.1411400397
C        18.0744183203        9.9194706172       15.6015760523
C        19.2703173117       10.0203658734       16.3197332922
C        20.5960624911        9.4873070068       15.8400823935
C        18.4437772266       13.2625287187       11.8949859691
C        16.9417434756       13.0197759014       12.1539638443
C        16.2108696724       12.6923639083       10.8413028839
C        16.3965770756       13.8102999681        9.8064949141
C        17.8842854824       14.1035608071        9.5661200726
C        18.6415279568       14.3982926969       10.8752461251
C        21.1755559090       13.5356425491       12.9528989302
C        21.6676472313       12.1268816550       12.5678112421
C        23.1063038780       12.1667352756       12.0327452592
C        24.0559958753       12.8160321534       13.0471981585
C        23.5626530455       14.2067078694       13.4661093495
C        22.1171732325       14.1646953289       13.9978709401
C        18.9895217677       15.1218396293       14.1972914296
H        18.8633162095       12.3335486178       11.4705164748
H        21.1909943988       14.1757090055       12.0550029727
H        16.8051962223       12.2102536268       12.8868182634
H        16.4946772792       13.9204088378       12.6020819455
H        16.6000459900       11.7448030264       10.4382510136
H        15.1431314574       12.5269156501       11.0425450839
H        15.8938784025       14.7227006905       10.1596179295
H        15.9094413766       13.5345257004        8.8598005012
H        17.9985456222       14.9614468043        8.8864102199
H        18.3472086752       13.2371205760        9.0683658569
H        19.7059668916       14.5536359539       10.6555507327
H        18.2694869333       15.3371968173       11.3042975415
H        21.0048046253       11.6719168870       11.8227446813
H        21.6220820979       11.4883449610       13.4651996805
H        23.4382070802       11.1478976060       11.7854692911
H        23.1278441202       12.7342338171       11.0899836032
H        25.0671434533       12.8791223430       12.6212050548
H        24.1360909966       12.1728580188       13.9356178034
H        23.6104017338       14.8912424636       12.6064325373
H        24.2203412822       14.6378081597       14.2353906966
H        22.0783166964       13.5706361323       14.9238005149
H        21.7933393146       15.1838491837       14.2519113741
H        19.5879568447       15.9107976204       13.7196684817
H        17.9374809008       15.3225030590       13.9526529007
P        19.3937238432       13.4574197589       13.4817766331
Rh       18.9086712083       11.7907200195       14.9674245562
P        18.7198418695       13.4290864131       16.4429853444
C        15.9992154968       13.8553111910       15.8477413987
H        16.0976165022       12.9752590686       15.1926159449
H        16.2802394022       14.7293298993       15.2426438046
C        16.9700858567       13.6950353463       17.0361328603
H        16.9934926385       14.6451725722       17.5966444129
C        19.7118481386       13.2430812730       18.0016424072
H        19.2915594724       12.3281356857       18.4511004983
C        16.5257661959       12.5715764684       17.9921667673
H        17.1662682516       12.5554625667       18.8830044190
H        16.6590693511       11.5997044096       17.4940524486
C        21.2035462483       12.9718063494       17.7282967699
H        21.3117386628       12.1657003414       16.9883578350
H        21.6694651438       13.8676891178       17.2896972269
C        21.7750721341       13.7421737640       20.0765623853
H        22.3053157542       14.6384673829       19.7230604573
H        22.2548100339       13.4520246062       21.0230815811
C        14.5399819677       13.9957543564       16.3116052161
H        14.4145210201       14.9368872166       16.8656997102
H        13.8890506135       14.0678981122       15.4273345279
C        19.5466435091       14.3969730250       19.0102114863
H        18.4876648742       14.5844323451       19.2313495784
H        19.9456109497       15.3230093794       18.5742043118
C        14.1316684985       12.8182798694       17.2020140193
H        13.0889277106       12.9170211069       17.5310685711
H        14.1813691506       11.8850761660       16.6223969317
C        20.2980245078       14.0846234063       20.3194122798
H        20.2132170148       14.9477779062       20.9968997311
H        19.8069204791       13.2359354895       20.8209011164
C        21.9277440798       12.6197508009       19.0394604810
H        21.5101438846       11.6832760482       19.4404583692
H        22.9901409069       12.4224830950       18.8399548795
C        15.0572735924       12.7211015162       18.4189407484
H        14.7754916289       11.8703823535       19.0557338749
H        14.9448374988       13.6249953266       19.0363173746
C        19.2016727875       15.0860725612       15.7209639018
H        18.6427206753       15.8861256769       16.2273355941
H        20.2635357314       15.2303603453       15.9637105434
C         8.5597282083       16.1221329363        4.1364488980
C         8.5345451249       15.7968359497        5.6023014128
C         9.7170129932       15.7082978483        6.3431569083
C        11.0511356314       16.2368433021        5.8823532833
C         8.9247711868       12.4232458476        1.9538993300
C         7.4209218853       12.6499458560        2.2197832733
C         6.6766259919       12.9578079399        0.9105142136
C         6.8677738762       11.8331815224       -0.1155665317
C         8.3571912406       11.5577529955       -0.3664853643
C         9.1317663390       11.2864256817        0.9378003785
C        11.6606747456       12.1633371928        3.0259762508
C        12.1594416670       13.5825506789        2.6929525918
C        13.5962711053       13.5563934462        2.1538969199
C        14.5417153317       12.8740938237        3.1496899749
C        14.0433720869       11.4733402327        3.5270997213
C        12.5960142818       11.5011303185        4.0555468886
C         9.4643737622       10.5775080057        4.2639209504
H         9.3341541829       13.3554795895        1.5274286201
H        11.6807541870       11.5531552578        2.1076355751
H         7.2797416031       13.4630548356        2.9478525031
H         6.9874497103       11.7475416168        2.6775392180
H         7.0534470261       13.9054794555        0.4971996385
H         5.6086317354       13.1145289027        1.1173613408
H         6.3804523550       10.9181636902        0.2509873194
H         6.3680344830       12.0927232589       -1.0599827878
H         8.4772349347       10.6955781339       -1.0395949743
H         8.8034036394       12.4255560212       -0.8763442248
H        10.1967623743       11.1488522312        0.7091832208
H         8.7810851957       10.3444524658        1.3765619109
H        11.4964798713       14.0679644458        1.9695236588
H        12.1192346084       14.1854234985        3.6148562315
H        13.9309875556       14.5816164108        1.9391382956
H        13.6166509869       13.0190040885        1.1934887130
H        15.5533104671       12.8199855087        2.7238148603
H        14.6223806896       13.4911123744        4.0563598015
H        14.0926732667       10.8139604011        2.6481674150
H        14.6978254173       11.0193847696        4.2855146046
H        12.5565740662       12.0687738551        4.9976374551
H        12.2695491454       10.4759906394        4.2798516010
H        10.0636975210        9.7842716872        3.7946874642
H         8.4131857391       10.3774770702        4.0153361128
P         9.8745827394       12.2371325365        3.5419805751
Rh        9.3782197908       13.9160262187        5.0065600682
P         9.1874636102       12.2885118302        6.4942671328
C         6.4695610828       11.8417647037        5.9011130439
H         6.5691074991       12.7069573557        5.2267921907
H         6.7520844491       10.9540162229        5.3169869059
C         7.4376673117       12.0291916068        7.0879256822
H         7.4615473027       11.0914762869        7.6688973957
C        10.1864359043       12.4843756500        8.0474741699
H         9.7827352631       13.4113015333        8.4873956618
C         6.9909051213       13.1732356980        8.0174123403
H         7.6299096538       13.2093668671        8.9086296279
H         7.1255300797       14.1334854695        7.4977227872
C        11.6800594989       12.7276315166        7.7572731911
H        11.7944033441       13.5270162278        7.0107618359
H        12.1245738273       11.8205711247        7.3193223686
C        12.2642932776       11.9630901524       10.1042463945
H        12.7721179014       11.0526636485        9.7531591314
H        12.7595794418       12.2519370843       11.0429557744
C         5.0090187836       11.7118226343        6.3646240315
H         4.8825458574       10.7838613215        6.9402565773
H         4.3597787309       11.6184419381        5.4809404266
C        10.0102697941       11.3449241408        9.0701504236
H         8.9501962661       11.1824395561        9.3049002260
H        10.3843719476       10.4060238102        8.6396667933
C         4.5981784879       12.9090960550        7.2272614377
H         3.5550324084       12.8163025684        7.5571275029
H         4.6476768502       13.8294300801        6.6272043112
C        10.7832681069       11.6540352490       10.3671779584
H        10.6887347808       10.7988651562       11.0535033360
H        10.3161000339       12.5173183036       10.8667422909
C        12.4289560830       13.0730233614        9.0558234118
H        12.0407296968       14.0228587176        9.4547041463
H        13.4931856388       13.2414418092        8.8391814796
C         5.5215818234       13.0334560663        8.4435486286
H         5.2384399061       13.8977723229        9.0609745738
H         5.4076981829       12.1431137783        9.0799668767
C         9.6689417973       10.6240843524        5.7879361501
H         9.1051230435        9.8297251539        6.2978316900
H        10.7291907232       10.4779768016        6.0362913544
C        18.3169292784        7.5535073648        4.0358416759
C        18.2320357793        7.2370279048        5.4991595549
C        19.3826890105        7.1210866615        6.2833876161
C        20.7455192176        7.6196218947        5.8779481346
C        18.5332545725        3.8729985107        1.8643335359
C        17.0343299973        4.1066961747        2.1474610179
C        16.2821510756        4.4409291432        0.8487891023
C        16.4577194520        3.3306688883       -0.1957681448
C        17.9430560624        3.0502866194       -0.4632876431
C        18.7263476637        2.7516067184        0.8291676489
C        21.2810282602        3.5531079208        2.8861593235
C        21.7580331117        4.9255520018        2.3739810774
C        23.2097589616        4.8689380936        1.8774451619
C        24.1476760701        4.3328161359        2.9656355508
C        23.6770461298        2.9666108524        3.4783976976
C        22.2236057327        3.0221174062        3.9840703109
C        19.1013069761        2.0046297531        4.1585931910
H        18.9403791307        4.8099137857        1.4456872499
H        21.2937838145        2.8351823373        2.0491656147
H        16.9073256244        4.9107259209        2.8883117790
H        16.5972406540        3.2009389278        2.5948788943
H        16.6608856736        5.3929688807        0.4462519096
H        15.2168746112        4.6000851315        1.0679038744
H        15.9672733580        2.4126732607        0.1600237402
H        15.9531697108        3.6080446219       -1.1327362215
H        18.0517327724        2.1985711481       -1.1515258637
H        18.3901954095        3.9241574493       -0.9624591798
H        19.7889473742        2.6152966532        0.5904566669
H        18.3755720976        1.8025958543        1.2538948043
H        21.1048115079        5.2869330657        1.5716253246
H        21.6774300130        5.6525968904        3.1991482271
H        23.5263774796        5.8688286857        1.5474603221
H        23.2655984943        4.2196782712        0.9903336714
H        25.1715504043        4.2668637808        2.5727361810
H        24.1849510579        5.0454195986        3.8023104002
H        23.7518086387        2.2230706734        2.6715547769
H        24.3290322990        2.6054371312        4.2878279554
H        22.1611733348        3.6817960488        4.8631161096
H        21.9127251338        2.0193002763        4.3094552349
H        19.7054467274        1.2164713736        3.6868052858
H        18.0515258431        1.7996369459        3.9089309563
P        19.5083164102        3.6655950216        3.4342001753
Rh       19.0539304791        5.3434989384        4.9123955748
P        18.8360412230        3.7090868531        6.3928412855
C        16.1341449548        3.1821946846        5.7794888625
H        16.2320661762        3.9972289998        5.0458013537
H        16.4347795744        2.2565405111        5.2680674365
C        17.0796975953        3.4675195829        6.9641006141
H        17.1001728434        2.5758229021        7.6135154175
C        19.8161617509        3.8993823183        7.9607469300
H        19.4187783509        4.8355902651        8.3867874313
C        16.6072147760        4.6753552488        7.7930742895
H        17.2300675422        4.7901932314        8.6894030840
H        16.7427748188        5.5898046197        7.1978019916
C        21.3162701655        4.1220753197        7.6866716421
H        21.4483756301        4.9131552531        6.9345011791
H        21.7553346255        3.2063753881        7.2616100350
C        21.8670671314        3.3729128201       10.0462614222
H        22.3659377258        2.4534914726        9.7062184027
H        22.3592841604        3.6624296959       10.9866779120
C        14.6685544368        3.0671592711        6.2302287824
H        14.5473305438        2.1867592491        6.8769847891
H        14.0350300688        2.8913089838        5.3483811832
C        19.6131255375        2.7742714038        8.9948432725
H        18.5483851550        2.6327080314        9.2235739563
H        19.9749153627        1.8242440646        8.5782331028
C        14.2279740588        4.3219141573        6.9891543111
H        13.1827346858        4.2364193056        7.3163949793
H        14.2684320794        5.1929748219        6.3192240291
C        20.3792039844        3.0851228816       10.2968069034
H        20.2665905889        2.2369721556       10.9892022812
H        19.9177635010        3.9579596113       10.7849090615
C        22.0542280348        4.4721006613        8.9903890801
H        21.6709094947        5.4293314718        9.3765437067
H        23.1224083506        4.6283895147        8.7842384051
C        15.1337717178        4.5547891154        8.2017237197
H        14.8313687886        5.4591233763        8.7474709912
H        15.0197351389        3.7152729294        8.9027386346
C        19.3053479931        2.0445143611        5.6838168896
H        18.7326030774        1.2542810250        6.1904638168
H        20.3632814503        1.8872547342        5.9344987165
H         9.6142632613       15.5464651086        7.4166103482
H         7.5678096219       15.7344579186        6.0990421425
H         7.5562270755       16.2485007616        3.7171330003
H         9.0218264132       15.2733801283        3.5137543778
H         9.1865586153       16.9893383531        3.8860799731
H        11.1075518628       17.3230053294        6.0687072223
H        11.2297291350       16.0923958581        4.8084143632
H        11.8780543961       15.7708784660        6.4295338011
H         8.8382628522        1.1719841546       13.4835304246
H         9.4170125289        2.1333021931       16.2958148821
H        11.1365301340        1.7294656774       12.7912594707
H        11.7559628832        1.5511547850       14.5231586586
H         9.9492773385        0.4805425570       16.1899920074
H         7.5222383602        0.7238884027       16.9306467289
H         7.6249103206       -0.2395994209       15.4423023170
H         7.1198601842        1.4578031920       15.3634137795
H        17.2460456809        7.1961698827        5.9589460151
H        19.2329468111        6.9581492190        7.3514145727
H        21.5358788491        7.1507541234        6.4736911969
H        20.9742948515        7.4492807545        4.8171760730
H        20.8123891109        8.7080655950        6.0461241464
H        17.3329853964        7.7095094935        3.5826633859
H        18.9814535596        8.3960188008        3.8008203056
H        18.7689851578        6.6850680106        3.4267815977
H        17.1166127442        9.9870244033       16.1145083772
H        19.1878196656       10.1960781156       17.3926809262
H        20.6523022954        8.4009837145       16.0257823503
H        20.7589127151        9.6300241679       14.7631775295
H        21.4321541473        9.9517864687       16.3740909514
H        17.0657382098        9.4404808999       13.7393465628
H        18.6973453087        8.6996318424       13.8947745015
H        18.5289973122       10.4094983661       13.4979556900
632
SCF Energy = -4406.9736237438 (a.u.)
Lowest Frequencies = 15.596385  20.845023  21.401918 (cm^-1)
IV (trans) / [1-(2-butene)][BArF4]
B         9.5838161456        4.5258589042        5.0165471352
C        10.7875140647        5.5614404225        5.3955142617
C        10.9209966135        6.1044556122        6.6882917732
C        11.8710206061        7.0892924453        6.9887339158
C        12.7264169658        7.5764014637        5.9945655382
C        12.6081520664        7.0481569504        4.7031814331
C        11.6547362429        6.0670282839        4.4130289733
C        12.0035484701        7.5519697354        8.4170972346
C        13.5181670194        7.4994383474        3.5960544007
C         9.2337241535        3.5017660347        6.2318034389
C         7.9424169695        2.9863529663        6.4204355315
C         7.6630587347        2.0469942990        7.4206758228
C         8.6660526595        1.5822874166        8.2671173480
C         9.9646770484        2.0682676334        8.0772167181
C        10.2431310755        2.9987584326        7.0755401344
C         6.2575003970        1.5506633135        7.5677507240
C        11.0391859776        1.5657411698        8.9910910033
F        12.8970068934        8.5714758530        8.5799055116
F        12.3950424855        6.5113025419        9.2436822325
F        14.4855779611        8.3548341084        4.0596281764
F        12.8517221682        8.1536334113        2.5893729619
F        14.1379298617        6.4389858955        2.9672318262
F         6.0681758408        0.7828692308        8.6698417415
F         5.8675197763        0.7810761225        6.4957749817
F         5.3563246728        2.5803289670        7.6212882045
F        10.6088419150        1.5723801081       10.2959152164
F        12.1865696915        2.2940101959        8.9490910562
F        11.4011650296        0.2702356581        8.7274419296
F        10.8220553741        8.0052696177        8.9487351655
H        10.2699979327        5.7476020751        7.4854272613
H        13.4768616008        8.3246558814        6.2248516610
H        11.5917866356        5.6877202790        3.3932427206
H         7.1272031176        3.3308525136        5.7844194174
H         8.4416699108        0.8714859290        9.0556662437
H        11.2656955530        3.3523657924        6.9572934359
F         8.4510550910        8.0731954196        1.2539904310
F         6.3193570434        8.5783498297        1.4781224190
F         8.1792108701        1.4982933182       -0.1419234985
F         4.6541410241        8.3638425803        5.9885288761
F         7.6056014856        0.2070262322        1.5511789468
F        13.0740952209        0.7903989429        1.2663095826
F         6.8112742840        2.2251608796        1.4055129539
F         4.9416675895        6.4387905022        7.0262805713
C        11.4605252926        2.0380806386        2.5451511656
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C         6.1960593514       15.6004405064       17.5900243020
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H        12.1592451182        5.4725790687       17.2196922848
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H         3.5736190882        4.3892830005       17.3190778415
H         4.6732649404        3.3348344028       16.4458241006
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H        10.5448268532        6.4700022160       20.9227616968
H        10.1764322637        4.7565184089       20.6909884230
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H        11.9576970287        3.2665816210       19.3480827121
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H         5.2717854993        3.3752564927       18.8697049756
H         5.4124828548        5.1319530814       18.8266881867
C         9.6642025849        6.6644585991       15.5467979189
H         9.0927267787        7.4645988291       16.0388248844
H        10.7222552661        6.8351337431       15.7900303426
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C        18.0870404823        9.9231949235       15.5943882668
C        19.2791322885       10.0309158437       16.3175825363
C        20.6102049683        9.5043798919       15.8457835575
C        18.4406053171       13.2625777982       11.8860478545
C        16.9394381071       13.0171075143       12.1476251152
C        16.2064169598       12.6889689429       10.8363805241
C        16.3887835248       13.8072374726        9.8013636728
C        17.8756650984       14.1018564396        9.5577722126
C        18.6349212470       14.3980090600       10.8652944621
C        21.1735512051       13.5407066638       12.9411872273
C        21.6664699635       12.1301343163       12.5637666309
C        23.1059686304       12.1672711769       12.0311129090
C        24.0540356287       12.8211904583       13.0440751280
C        23.5602545326       14.2141074108       13.4550411086
C        22.1138540146       14.1750175920       13.9840383012
C        18.9847071427       15.1278041282       14.1825655536
H        18.8616733706       12.3341407639       11.4619375184
H        21.1889281873       14.1762548658       12.0401136588
H        16.8057529554       12.2070823878       12.8804633951
H        16.4914879661       13.9166903133       12.5969279931
H        16.5958508799       11.7419178882       10.4324001842
H        15.1392484389       12.5225189386       11.0398296003
H        15.8859632839       14.7190495916       10.1558497171
H        15.8998126532       13.5312411435        8.8557228446
H        17.9877830541       14.9596185806        8.8775277326
H        18.3385105953       13.2357140800        9.0594458108
H        19.6988007703       14.5546572811       10.6438968115
H        18.2623237034       15.3366149380       11.2944779378
H        21.0047428112       11.6714506633       11.8200234705
H        21.6194114493       11.4962769851       13.4644069765
H        23.4380520612       11.1471905519       11.7892386982
H        23.1291848039       12.7301260441       11.0856877249
H        25.0659169981       12.8823195251       12.6195962361
H        24.1324577402       12.1825379830       13.9358816098
H        23.6103530348       14.8943846389       12.5921437535
H        24.2164187073       14.6490048854       14.2235473429
H        22.0737266257       13.5856174944       14.9127254093
H        21.7894680188       15.1953369796       14.2325342295
H        19.5805666150       15.9169764370       13.7021151050
H        17.9318925181       15.3245448187       13.9380502609
P        19.3921886411       13.4625268466       13.4711143080
Rh       18.9133126310       11.7981221360       14.9604170460
P        18.7249458949       13.4398962873       16.4332356688
C        16.0050790342       13.8670073076       15.8431258943
H        16.1089955169       12.9946894634       15.1785409411
H        16.2815967662       14.7494416422       15.2482068747
C        16.9763707657       13.6995488202       17.0303790576
H        16.9981895524       14.6454834642       17.5979614638
C        19.7259829888       13.2600347127       17.9873031898
H        19.3229661349       12.3358338915       18.4337112005
C        16.5372958298       12.5669752074       17.9780322210
H        17.1772823504       12.5484412684       18.8693049423
H        16.6775240685       11.5997282197       17.4729908777
C        21.2202700679       13.0160814311       17.7018777248
H        21.3368132608       12.2133147849       16.9594135721
H        21.6657481436       13.9212066650       17.2609757716
C        21.7971508796       13.7893270208       20.0485333698
H        22.3072793487       14.6979560511       19.6963432190
H        22.2888748955       13.5035804149       20.9902341481
C        14.5445296170       13.9930326468       16.3065779088
H        14.4114222887       14.9272775655       16.8705507167
H        13.8940330805       14.0702157196       15.4224524716
C        19.5477398416       14.4055455446       19.0029871901
H        18.4872303702       14.5717898873       19.2335131064
H        19.9254703954       15.3410865967       18.5685411803
C        14.1442686306       12.8030696084       17.1838091008
H        13.0994417229       12.8882224834       17.5093302515
H        14.2056214243       11.8761594144       16.5952219251
C        20.3154393041       14.1011056230       20.3045542157
H        20.2191702456       14.9587834798       20.9874544638
H        19.8449485121       13.2403388135       20.8054777652
C        21.9649468898       12.6756135697       19.0044453606
H        21.5751719910       11.7271385787       19.4053170300
H        23.0299025308       12.5063511224       18.7921725851
C        15.0670051013       12.7030512582       18.4027762784
H        14.7897414734       11.8456161745       19.0324745323
H        14.9462486958       13.6014212307       19.0266142563
C        19.1978572065       15.0973758548       15.7062213929
H        18.6341803855       15.8954039857       16.2105706049
H        20.2588610106       15.2490104121       15.9479179981
C         8.5200211785       16.1720441961        4.2781110183
C         8.5656256077       15.7937072136        5.7292020295
C         9.7837042322       15.6711400724        6.4053757012
C        11.0960157239       16.2040160255        5.8911597956
C         8.8960629619       12.4698581721        1.9438662127
C         7.3947705619       12.7142071152        2.2060789328
C         6.6579293907       13.0326608420        0.8945674706
C         6.8409029347       11.9104648068       -0.1361760012
C         8.3277812993       11.6156976867       -0.3805392211
C         9.0901295307       11.3296466271        0.9277840873
C        11.6291636367       12.1999433347        2.9987136822
C        12.1259651954       13.6127247996        2.6360061466
C        13.5607792083       13.5747660187        2.0904452302
C        14.5128949849       12.9061592660        3.0898240144
C        14.0155234412       11.5117185609        3.4913572077
C        12.5723548802       11.5510450040        4.0298731502
C         9.4455057870       10.6044398861        4.2347470442
H         9.3161541697       13.3971264095        1.5164201562
H        11.6402979058       11.5751857522        2.0900422340
H         7.2605402884       13.5290022540        2.9335263476
H         6.9496444356       11.8165924093        2.6621445507
H         7.0431150563       13.9791110943        0.4856599849
H         5.5907780898       13.1973781198        1.0994264690
H         6.3391642227       10.9997719989        0.2224081132
H         6.3506743046       12.1823376981       -1.0825181953
H         8.4395187142       10.7534353752       -1.0551804139
H         8.7889977714       12.4784051189       -0.8857714513
H        10.1538836857       11.1734298576        0.7046998292
H         8.7202648008       10.3929423682        1.3633150555
H        11.4598585814       14.0849088248        1.9051609802
H        12.0906956705       14.2343625305        3.5454474336
H        13.8960027013       14.5957464579        1.8569295166
H        13.5740131346       13.0221042204        1.1387314507
H        15.5214217772       12.8445386372        2.6573618542
H        14.6009865942       13.5358701705        3.9870349577
H        14.0569643441       10.8393130724        2.6218104211
H        14.6748154250       11.0673741350        4.2516127070
H        12.5402171056       12.1310353295        4.9647671562
H        12.2457070426       10.5294515575        4.2700025336
H        10.0424267397        9.8194774444        3.7487996109
H         8.3928226466       10.4056289796        3.9914642422
P         9.8472026578       12.2748647334        3.5305784598
Rh        9.3719469929       13.9298041117        5.0354999117
P         9.1845757643       12.2786815666        6.4937034021
C         6.4655529704       11.8579596859        5.8955796995
H         6.5726715583       12.7373227372        5.2408079809
H         6.7422303317       10.9816673120        5.2917588425
C         7.4348396605       12.0114386305        7.0867528691
H         7.4564768103       11.0591078106        7.6436062470
C        10.1857696931       12.4567989905        8.0467420923
H         9.7798119046       13.3780801464        8.4964822118
C         6.9932421057       13.1330215093        8.0459845137
H         7.6299343581       13.1411840805        8.9397906193
H         7.1356542823       14.1058877804        7.5531639903
C        11.6785018033       12.7067633131        7.7583890550
H        11.7905115857       13.5096680567        7.0155121405
H        12.1263704916       11.8032565611        7.3164985944
C        12.2622753644       11.9359092208       10.1035757145
H        12.7772251750       11.0299463235        9.7515676385
H        12.7522648756       12.2252686248       11.0449195261
C         5.0030761984       11.7291494500        6.3528065173
H         4.8669500996       10.7888543926        6.9057745280
H         4.3556011521       11.6632125494        5.4653603257
C        10.0141762671       11.3092059065        9.0602086543
H         8.9547381229       11.1379160846        9.2913184827
H        10.3955680003       10.3764689884        8.6235524626
C         4.6007807212       12.9091202861        7.2427174878
H         3.5555483479       12.8190992641        7.5666068819
H         4.6616907519       13.8431753732        6.6653181054
C        10.7823192313       11.6164450034       10.3607139093
H        10.6912060887       10.7580761205       11.0433953478
H        10.3087368552       12.4749438507       10.8626850658
C        12.4239120627       13.0502984685        9.0593760814
H        12.0306494184       13.9967735058        9.4613739824
H        13.4877854743       13.2243475148        8.8453869731
C         5.5215287897       12.9939375409        8.4642345443
H         5.2441962154       13.8446836867        9.1028879364
H         5.3979290279       12.0886203271        9.0770399343
C         9.6618551815       10.6268188219        5.7579593649
H         9.1024892512        9.8237357041        6.2590627699
H        10.7240175354       10.4782540626        5.9964256467
C        18.2966604209        7.5515769303        4.0443429063
C        18.2176033372        7.2364394859        5.5083908939
C        19.3715876716        7.1115980748        6.2865113714
C        20.7357730474        7.6017028848        5.8745054501
C        18.4944964047        3.8694647068        1.8682943904
C        16.9931861776        4.0916783653        2.1478787488
C        16.2442748282        4.4318772224        0.8487793864
C        16.4313883929        3.3310228568       -0.2037934320
C        17.9196485821        3.0628534174       -0.4687947011
C        18.7014592537        2.7595916997        0.8234661319
C        21.2394956679        3.5300239591        2.9070651643
C        21.7143157660        4.8843250460        2.3460309648
C        23.1860875357        4.8369944831        1.9098865634
C        24.0880225220        4.3678439796        3.0575030403
C        23.6296642423        3.0067119349        3.5926521353
C        22.1601653800        3.0480394320        4.0457320425
C        19.0457541017        1.9962121267        4.1648508164
H        18.8973210880        4.8132091051        1.4609201847
H        21.2669293008        2.7783606287        2.1006437648
H        16.8591232388        4.8892579079        2.8945538105
H        16.5595150412        3.1799004826        2.5862250760
H        16.6186208050        5.3895983133        0.4556809523
H        15.1769777905        4.5824306654        1.0645119553
H        15.9462251799        2.4068650350        0.1431279341
H        15.9279995222        3.6121841362       -1.1401867511
H        18.0360474783        2.2168148576       -1.1628126009
H        18.3625384737        3.9430612119       -0.9605003995
H        19.7665018038        2.6360764983        0.5877231680
H        18.3586761230        1.8033008763        1.2382284219
H        21.0859903020        5.1914825585        1.5020659675
H        21.5885263547        5.6506842495        3.1291143729
H        23.4951394271        5.8289007533        1.5496076914
H        23.2920042602        4.1516980803        1.0550126277
H        25.1314214301        4.3207638466        2.7177029527
H        24.0634023165        5.1078859120        3.8703690168
H        23.7481776925        2.2429636435        2.8111532113
H        24.2590139930        2.6823137579        4.4348889268
H        22.0566431728        3.7301111893        4.9033155538
H        21.8562234447        2.0488303076        4.3885420458
H        19.6469217195        1.2051012707        3.6941781314
H        17.9953916925        1.7965957846        3.9131588961
P        19.4632554107        3.6546730802        3.4398482318
Rh       19.0204119867        5.3358298357        4.9186719571
P        18.7938473022        3.7029859556        6.3993078544
C        16.0829221372        3.1826387916        5.8055857191
H        16.1700653706        3.9964126246        5.0690854619
H        16.3795999822        2.2566395856        5.2924444129
C        17.0396763890        3.4719200826        6.9798977292
H        17.0618397882        2.5831999452        7.6333773469
C        19.7764771787        3.8874691192        7.9664991329
H        19.3773195087        4.8209409325        8.3968105229
C        16.5770401006        4.6845126462        7.8067769240
H        17.2112870144        4.8063599751        8.6939360761
H        16.7035729619        5.5947701725        7.2030424444
C        21.2757443319        4.1152988588        7.6951770341
H        21.4064532292        4.9089756382        6.9456924359
H        21.7187521383        3.2022698252        7.2685674084
C        21.8264770352        3.3619839807       10.0529789951
H        22.3312250973        2.4462832953        9.7114909623
H        22.3142810237        3.6512386292       10.9958186585
C        14.6237856735        3.0644798858        6.2767461743
H        14.5151600479        2.1861274696        6.9286096375
H        13.9776854105        2.8825214862        5.4051493929
C        19.5767074838        2.7575382461        8.9957036375
H        18.5126060157        2.6108370599        9.2231695962
H        19.9426858342        1.8107198001        8.5755574586
C        14.1892943911        4.3209891971        7.0365063751
H        13.1493300914        4.2331840336        7.3784835400
H        14.2175283289        5.1886766742        6.3616749773
C        20.3398344477        3.0661334861       10.2997328537
H        20.2302270852        2.2149009087       10.9886153106
H        19.8741246317        3.9352589178       10.7904290903
C        22.0095247552        4.4652040719        9.0008675148
H        21.6206043673        5.4192308433        9.3893835727
H        23.0767447951        4.6276948209        8.7962484578
C        15.1096755505        4.5648851516        8.2360135730
H        14.8139977026        5.4759537767        8.7746305444
H        15.0047750293        3.7331031685        8.9476650363
C        19.2461443934        2.0335595386        5.6908263632
H        18.6614936555        1.2507242451        6.1953662303
H        20.3008265205        1.8625151266        5.9455245754
H         9.7358114315       15.4774276370        7.4771773455
H         7.6252955302       15.7233998597        6.2730234826
H         7.4979129866       16.3151226094        3.9143231665
H         8.9473783322       15.3467836859        3.6024239359
H         9.1357218333       17.0477052844        4.0297066016
H        11.1653371390       17.2870081274        6.0906617960
H        11.2233113892       16.0769766470        4.8073836578
H        11.9455639947       15.7268100597        6.3913908111
H         8.1905920878        0.9978628281       14.5658781754
H        10.9029529509        1.4857476339       15.9692932004
H         9.4100322812        1.4883879673       12.4729192185
H        11.0174863745        1.4798406852       13.3556577144
H        11.0402159382        3.5716098372       14.9818913160
H         7.9949380286        1.1955500192       17.0234663011
H         9.3158883865        1.9841669465       17.9146792757
H         9.3934354260        0.2671875237       17.5805957734
H        17.2339579869        7.2031920713        5.9737105840
H        19.2261386691        6.9499853409        7.3553202785
H        21.5263213878        7.1297296526        6.4677323919
H        20.9593259104        7.4280724605        4.8131092018
H        20.8091929208        8.6900777257        6.0405600960
H        17.3114125765        7.7162286831        3.5970094195
H        18.9674150992        8.3878170974        3.8045911638
H        18.7363482300        6.6782738070        3.4331871855
H        17.1266875469        9.9866368601       16.1031225516
H        19.1902077684       10.2071773679       17.3899794582
H        20.6739680555        8.4198655153       16.0390463199
H        20.7758783526        9.6417175190       14.7687269700
H        21.4407910799        9.9785298317       16.3799799228
H        17.0877443589        9.4385500264       13.7288216345
H        18.7242410603        8.7092771715       13.8883583956
H        18.5443661502       10.4183344360       13.4920760206
632
SCF Energy = -4406.9826108343 (a.u.)
Lowest Frequencies = 14.383761  19.608214  24.113811 (cm^-1)
III (trans) / [1-(2-butene)][BArF4] 
B         9.5849363674        4.5251666599        5.0163120960
C        10.7901543344        5.5588689086        5.3954750273
C        10.9256057192        6.1000420704        6.6887553164
C        11.8717075147        7.0885816706        6.9889000096
C        12.7250628714        7.5778638250        5.9940398177
C        12.6084988203        7.0478980570        4.7031114986
C        11.6560571920        6.0658851754        4.4126503696
C        12.0035661061        7.5512537863        8.4176919196
C        13.5180330979        7.4992439067        3.5958101777
C         9.2345051066        3.4999083990        6.2308150304
C         7.9429255458        2.9851066544        6.4194912921
C         7.6626001389        2.0482998446        7.4218942740
C         8.6645322380        1.5863006335        8.2710323393
C         9.9639081566        2.0696644756        8.0796405038
C        10.2436920484        2.9966535422        7.0748159670
C         6.2572263812        1.5514132489        7.5680466588
C        11.0386337029        1.5668659404        8.9928567761
F        12.8969581829        8.5714274070        8.5797798810
F        12.3952251674        6.5111035791        9.2439753024
F        14.4855586548        8.3549267418        4.0596422840
F        12.8517377768        8.1536429792        2.5893081758
F        14.1378123424        6.4389880811        2.9671057936
F         6.0681640742        0.7828251033        8.6700981278
F         5.8676425344        0.7813186569        6.4961034575
F         5.3560624454        2.5804151537        7.6214552305
F        10.6081150844        1.5718384099       10.2998788631
F        12.1859732184        2.2939863941        8.9499706231
F        11.4007408447        0.2711594438        8.7279570675
F        10.8219541297        8.0049958726        8.9487625667
H        10.2789687266        5.7381847473        7.4867150607
H        13.4734213567        8.3284457761        6.2235513885
H        11.5929565360        5.6873995897        3.3925191853
H         7.1280539927        3.3280298875        5.7820850120
H         8.4387443742        0.8796208657        9.0627098713
H        11.2666411741        3.3486811618        6.9549645010
F         8.4509107379        8.0733217681        1.2540353347
F         6.3193700247        8.5782537727        1.4781984096
F         8.1790147045        1.4977910297       -0.1409367439
F         4.6540024440        8.3637761243        5.9883958434
F         7.6055048296        0.2069137203        1.5513683604
F        13.0741697704        0.7902957558        1.2661551453
F         6.8109654504        2.2252624249        1.4058033318
F         4.9414540726        6.4389288712        7.0260093872
C        11.4604736226        2.0379851675        2.5444702345
F         6.8964746498        6.5817535851        0.7429541746
C        10.4161966319        1.5431577323        1.7548945187
H        10.6094864520        0.8088032638        0.9778899185
F         6.2930384405        8.1467420892        7.4054291382
C         8.2377477844        6.0856967610        3.3598438886
H         8.9082435761        5.7470895544        2.5703193757
C         9.9320193781        3.5091599829        3.7827575140
C         8.3580291745        5.5403791985        4.6495777691
C        11.2164458524        2.9995143671        3.5387624149
H        12.0566899428        3.3575378157        4.1332639089
C         8.8925038298        2.9791986529        2.9942939392
H         7.8745723030        3.3247443578        3.1611909428
F        13.2720905611        0.7815821471        3.4734206000
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C         6.1982688672       15.6081639950       17.5857119559
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H         4.5636765435        3.4283064804       16.3968709300
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H        10.1607320827        4.7797544665       20.6404677784
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C         9.5423331982        6.7580739243       15.5838699049
H         8.9351336128        7.5171462219       16.0980786534
H        10.5899410790        6.9488317749       15.8550922541
C        18.1057759828        9.5783697904       14.1308667050
C        18.0936428271        9.9228204252       15.5918984128
C        19.2838673813       10.0310804350       16.3178987031
C        20.6168157700        9.5072342779       15.8485998150
C        18.4432756198       13.2648938949       11.8880150636
C        16.9421261219       13.0201144191       12.1502359887
C        16.2087878124       12.6908596523       10.8394165184
C        16.3910560678       13.8081962276        9.8033603637
C        17.8779663894       14.1021763761        9.5590828222
C        18.6378525703       14.3991517985       10.8660720587
C        21.1763768146       13.5460704068       12.9418651482
C        21.6686046081       12.1374448210       12.5564857168
C        23.1088220722       12.1760090435       12.0259968124
C        24.0560956530       12.8232947992       13.0439105785
C        23.5635449558       14.2148634249       13.4607677027
C        22.1166612189       14.1745046164       13.9883057069
C        18.9874746484       15.1299718445       14.1854278790
H        18.8636114316       12.3357999227       11.4646568142
H        21.1915399447       14.1866985415       12.0443981216
H        16.8084820742       12.2107880976       12.8838595239
H        16.4946784718       13.9203210133       12.5987998633
H        16.5981123489       11.7434324504       10.4361967517
H        15.1416746902       12.5243308592       11.0431806189
H        15.8887689211       14.7205617269       10.1571773262
H        15.9017606318       13.5315419151        8.8580607518
H        17.9900988012       14.9593260332        8.8780804828
H        18.3403002704       13.2354678535        9.0612788136
H        19.7017447361       14.5547100232       10.6440293932
H        18.2662095580       15.3384964929       11.2944599370
H        21.0075509909       11.6840561047       11.8089294267
H        21.6196549396       11.4979034231       13.4530130179
H        23.4401080499       11.1569246012       11.7789177578
H        23.1339544622       12.7441172836       11.0837656304
H        25.0689017283       12.8844203315       12.6216069095
H        24.1318360728       12.1802279885       13.9327636262
H        23.6146708437       14.8989159377       12.6009245750
H        24.2192690855       14.6457610739       14.2319216944
H        22.0753492879       13.5807629200       14.9141616383
H        21.7929934180       15.1939024598       14.2414739857
H        19.5835490145       15.9195286153       13.7058565589
H        17.9348056695       15.3270891121       13.9406132967
P        19.3954184884       13.4652579666       13.4727789749
Rh       18.9187794360       11.7994756826       14.9608088631
P        18.7283037374       13.4400874067       16.4348682849
C        16.0085223973       13.8675719639       15.8444001670
H        16.1123693681       12.9960590570       15.1787773540
H        16.2853415477       14.7507832325       15.2507856777
C        16.9794076267       13.6983419529       17.0316729439
H        17.0008412515       14.6433679490       17.6007765666
C        19.7289068467       13.2599197345       17.9892015413
H        19.3268407796       12.3348025957       18.4345801064
C        16.5399754699       12.5641640095       17.9771373109
H        17.1799671148       12.5436301850       18.8683344762
H        16.6797323450       11.5978226930       17.4702315181
C        21.2235215247       13.0178608004       17.7037817099
H        21.3409942970       12.2157641210       16.9607462021
H        21.6680158087       13.9238468332       17.2636409746
C        21.7993550203       13.7899793709       20.0509789614
H        22.3083471944       14.6995130196       19.6994494234
H        22.2913825201       13.5041293921       20.9924840242
C        14.5479166882       13.9934337285       16.3078166637
H        14.4150510582       14.9271691310       16.8727039270
H        13.8976485964       14.0716704586       15.4235742305
C        19.5491258584       14.4042632831       19.0059168750
H        18.4883869618       14.5687520898       19.2366446677
H        19.9254598327       15.3407730368       18.5723413905
C        14.1470064554       12.8025344417       17.1835131731
H        13.1022857693       12.8879732284       17.5094024314
H        14.2076081861       11.8763420604       16.5937156656
C        20.3172624328       14.0997845076       20.3072091606
H        20.2200206313       14.9569426663       20.9906272742
H        19.8478439557       13.2381345147       20.8076081822
C        21.9684645725       12.6772028406       19.0061324778
H        21.5797491340       11.7279814216       19.4062623894
H        23.0336232230       12.5092481799       18.7937914474
C        15.0698061503       12.7001997561       18.4022502569
H        14.7921553619       11.8418724545       19.0305455182
H        14.9495430675       13.5976451562       19.0275146326
C        19.1999392028       15.0985304320       15.7092058504
H        18.6352556672       15.8956852821       16.2138189314
H        20.2606347575       15.2511242648       15.9516201538
C         8.5231359112       16.1717156069        4.2757519337
C         8.5677989384       15.7923613113        5.7265795552
C         9.7854352678       15.6695110412        6.4035014276
C        11.0980897440       16.2031731575        5.8909906694
C         8.8996870460       12.4719545545        1.9393664380
C         7.3985788254       12.7190096280        2.2001049365
C         6.6639210674       13.0400120711        0.8878833015
C         6.8458888286       11.9179265998       -0.1431704069
C         8.3326019956       11.6212826082       -0.3861821258
C         9.0927039367       11.3320711527        0.9227216856
C        11.6318528504       12.1988786572        2.9956416865
C        12.1293372006       13.6111694581        2.6319568643
C        13.5645196306       13.5721287286        2.0874838148
C        14.5156918777       12.9043389691        3.0882713810
C        14.0176921811       11.5104246067        3.4907678381
C        12.5741079442       11.5506042609        4.0280681064
C         9.4466018973       10.6039267320        4.2290341719
H         9.3217585549       13.3987074489        1.5127454823
H        11.6433430659       11.5732367655        2.0875683827
H         7.2650687640       13.5335192115        2.9279958651
H         6.9511275721       11.8219170624        2.6549238381
H         7.0515891768       13.9859509872        0.4799820452
H         5.5968481949       13.2067662012        1.0916455076
H         6.3426709759       11.0077035680        0.2146204807
H         6.3567188466       12.1908348267       -1.0897618321
H         8.4439629615       10.7598052786       -1.0619161116
H         8.7957298047       12.4841579772       -0.8895111667
H        10.1563908499       11.1737057659        0.7009216728
H         8.7201315728       10.3956705680        1.3566937613
H        11.4639894781       14.0828948243        1.9001358312
H        12.0936821454       14.2337557280        3.5407483198
H        13.9002794685       14.5926994005        1.8530219275
H        13.5782478179       13.0182748694        1.1364657768
H        15.5244875311       12.8420332137        2.6565926806
H        14.6032962233       13.5349657340        3.9848862991
H        14.0597110248       10.8371293075        2.6219506621
H        14.6762239030       11.0666775584        4.2520269880
H        12.5413726297       12.1314540262        4.9623993136
H        12.2470232771       10.5292977352        4.2688037896
H        10.0435255895        9.8191153486        3.7428264765
H         8.3939914490       10.4057139953        3.9849441588
P         9.8496619848       12.2746178888        3.5263775324
Rh        9.3747819366       13.9289072937        5.0324028872
P         9.1856619073       12.2766273578        6.4888494996
C         6.4665646888       11.8563267123        5.8904526402
H         6.5735850237       12.7356798093        5.2356551284
H         6.7432924145       10.9800028502        5.2867070378
C         7.4357967920       12.0097061920        7.0816786082
H         7.4571789618       11.0573086364        7.6384337908
C        10.1864343883       12.4538711478        8.0424089868
H         9.7803847519       13.3752648716        8.4918465664
C         6.9940717139       13.1312319411        8.0409529221
H         7.6308570199       13.1388570323        8.9347438738
H         7.1366707005       14.1040888325        7.5481366444
C        11.6792339665       12.7039748461        7.7546267942
H        11.7914149858       13.5068071515        7.0116959365
H        12.1274285437       11.8004995387        7.3130758772
C        12.2621842812       11.9334045220       10.1000563293
H        12.7771637001       11.0274627839        9.7480991459
H        12.7522562783       12.2222246546       11.0415427781
C         5.0041559174       11.7272875868        6.3478338403
H         4.8683405933       10.7870739942        6.9009886739
H         4.3566218533       11.6609457045        5.4605006986
C        10.0144360088       11.3063910360        9.0558826893
H         8.9549091387       11.1350187249        9.2865956244
H        10.3959829616       10.3735990917        8.6195490642
C         4.6016277354       12.9072889516        7.2375436563
H         3.5564468742       12.8170454348        7.5615484716
H         4.6622770748       13.8413524480        6.6601367206
C        10.7821903915       11.6135299881       10.3566701123
H        10.6911434283       10.7550959549       11.0392839216
H        10.3080148444       12.4718154110       10.8585118799
C        12.4241471420       13.0477246204        9.0558355882
H        12.0306573834       13.9944023897        9.4572292914
H        13.4880983362       13.2219055969        8.8423080358
C         5.5222917864       12.9922506511        8.4591293126
H         5.2445842721       13.8430617030        9.0975626144
H         5.3985985450       12.0870019159        9.0720173833
C         9.6621410118       10.6249296341        5.7524023238
H         9.1018424511        9.8218958834        6.2525608777
H        10.7240428153       10.4752902616        5.9913562178
C        18.2132106498        7.5664827043        4.0980097082
C        18.1690856004        7.2343766300        5.5604883375
C        19.3422342213        7.1139275264        6.3112130566
C        20.6920156406        7.6196514025        5.8709068639
C        18.4677851518        3.8838988284        1.8819410670
C        16.9658349572        4.1104316719        2.1554839766
C        16.2220024021        4.4473533751        0.8524210922
C        16.4105992394        3.3431420710       -0.1964821064
C        17.8993574169        3.0708162391       -0.4549697689
C        18.6738887358        2.7685581232        0.8420470490
C        21.2087220012        3.5587076138        2.9286697927
C        21.6904600665        4.9315523777        2.4206200892
C        23.1572716644        4.8877277090        1.9670716647
C        24.0657899992        4.3662454718        3.0869771967
C        23.5970414919        2.9923709058        3.5798647849
C        22.1308244914        3.0310182120        4.0452904734
C        19.0122676865        2.0111987556        4.1776269762
H        18.8749730275        4.8245976359        1.4717196785
H        21.2340720538        2.8386921426        2.0938431854
H        16.8299287739        4.9105864298        2.8989504701
H        16.5290869962        3.2010556183        2.5958048768
H        16.5991510595        5.4033248414        0.4577911304
H        15.1541313594        4.6003433472        1.0636137538
H        15.9224870475        2.4209285417        0.1514515092
H        15.9105139185        3.6226761771       -1.1351032228
H        18.0168840211        2.2226753813       -1.1463213757
H        18.3470354577        3.9484849422       -0.9469350092
H        19.7391941612        2.6373535844        0.6110520031
H        18.3234342830        1.8160016848        1.2590963890
H        21.0563924304        5.2820418653        1.5981565799
H        21.5808891559        5.6630964630        3.2385431688
H        23.4723288873        5.8901840035        1.6426836153
H        23.2480795670        4.2355869146        1.0848713977
H        25.1048912536        4.3179925779        2.7337755887
H        24.0594378055        5.0775707900        3.9255045339
H        23.7023892036        2.2538828290        2.7724440007
H        24.2298966142        2.6341928372        4.4055659174
H        22.0394833147        3.6855025473        4.9253022194
H        21.8208819477        2.0234941125        4.3570021264
H        19.6078839305        1.2194415698        3.7010339163
H        17.9598393462        1.8164612147        3.9303253824
P        19.4298640376        3.6717213398        3.4583630195
Rh       18.9773343005        5.3452502021        4.9453909545
P        18.7695957942        3.7083568526        6.4224334969
C        16.0473895247        3.2401677491        5.8466171326
H        16.1330507161        4.0867892402        5.1475295478
H        16.3313887373        2.3379106302        5.2860614254
C        17.0211547152        3.4673597825        7.0209909610
H        17.0463081223        2.5485276401        7.6314015381
C        19.7674990801        3.8874069452        7.9801897229
H        19.3704225397        4.8178863463        8.4187766377
C        16.5777449894        4.6406832120        7.9134251212
H        17.2233507507        4.7115494381        8.7978289307
H        16.7042349612        5.5811780290        7.3573155269
C        21.2643836335        4.1189512710        7.6991359395
H        21.3886726933        4.9166540032        6.9526823397
H        21.7055071615        3.2085006426        7.2650982984
C        21.8308773272        3.3555185883       10.0504260518
H        22.3347765441        2.4418221337        9.7024570703
H        22.3235654562        3.6409866469       10.9918103812
C        14.5930415847        3.1107478079        6.3295063799
H        14.4837018020        2.2017189382        6.9379065654
H        13.9348738719        2.9791340204        5.4576021781
C        19.5769704598        2.7513746959        9.0042565503
H        18.5146831326        2.5991546455        9.2361463369
H        19.9443088268        1.8083169114        8.5770107312
C        14.1789443778        4.3323513464        7.1552882027
H        13.1413986731        4.2390605869        7.5022465278
H        14.2101408482        5.2314126587        6.5229046853
C        20.3463099555        3.0564641284       10.3051016110
H        20.2421672696        2.2028721703       10.9918863910
H        19.8819548765        3.9232664919       10.8012701213
C        22.0071138644        4.4631841252        9.0016182393
H        21.6208471868        5.4155666801        9.3967007403
H        23.0731738463        4.6263311034        8.7906293962
C        15.1138296641        4.5099442853        8.3556651419
H        14.8316076623        5.3968522264        8.9402369450
H        15.0103283334        3.6459262227        9.0287411639
C        19.2200217054        2.0424779927        5.7025690487
H        18.6394983275        1.2561875771        6.2063659086
H        20.2764309245        1.8722825089        5.9508144508
H         9.7367863853       15.4749811010        7.4751050661
H         7.6270408164       15.7217326832        6.2696286592
H         7.5011785823       16.3140940687        3.9112704109
H         8.9519093066       15.3474225262        3.5998679053
H         9.1382468658       17.0481343478        4.0285118978
H        11.1667716701       17.2861129678        6.0910007644
H        11.2266771745       16.0767176401        4.8072966227
H        11.9473135933       15.7260364097        6.3918396942
H         7.6800346391        1.3908291335       15.5088431232
H        10.7836028996        1.3945329778       15.5137503400
H         7.9280068840        1.2291743891       13.0768176887
H         9.5931485167        0.5929881204       13.3228439634
H         9.3222813321        2.3202269695       13.1393474680
H         8.7612145342        2.0200296674       17.7618428312
H        10.5362864210        1.9731896832       17.9267922287
H         9.6171790305        0.4852786115       17.7281221170
H        17.1967298401        7.1875518097        6.0478336417
H        19.2239456567        6.9437049964        7.3819237406
H        21.5014903069        7.1447115032        6.4358932556
H        20.8881861960        7.4639291123        4.8013750356
H        20.7621293373        8.7060597259        6.0509373637
H        17.2167361302        7.7228373613        3.6726567070
H        18.8672144013        8.4150716035        3.8546924250
H        18.6526051164        6.7065482033        3.4702799606
H        17.1320654596        9.9844684288       16.0985620861
H        19.1921656182       10.2060322679       17.3902799178
H        20.6819446243        8.4225882414       16.0406931665
H        20.7849255132        9.6461979731       14.7721256863
H        21.4453031503        9.9819262003       16.3855071002
H        17.0992138912        9.4390469366       13.7234943488
H        18.7370098169        8.7131545294       13.8851557299
H        18.5541306676       10.4225109167       13.4911900859
632
SCF Energy = -4406.9854314731 (a.u.)
Lowest Frequencies = 14.383761  19.608214  24.113811 (cm^-1)
III (trans) / [1-(2-butene)][BArF4]
B         9.5707233298        4.5148569342        5.0050659409
C        10.7830122364        5.5511484493        5.3864042076
C        10.9156184753        6.0947566945        6.6814015098
C        11.8643331344        7.0816946486        6.9863618147
C        12.7198574973        7.5702474211        5.9926209476
C        12.6055785497        7.0418410130        4.7009552846
C        11.6542686237        6.0582904670        4.4076613164
C        12.0002333965        7.5480778771        8.4166756202
C        13.5169675817        7.4974880928        3.5958904979
C         9.2305781128        3.4925397950        6.2244653560
C         7.9399291040        2.9781597454        6.4165734760
C         7.6616874370        2.0453951751        7.4227302964
C         8.6643886965        1.5853563490        8.2719591747
C         9.9634213365        2.0686125651        8.0777024655
C        10.2412628156        2.9937247473        7.0700510405
C         6.2566063241        1.5502235296        7.5694970789
C        11.0385109819        1.5668694635        8.9919203051
F        12.8955588207        8.5691606087        8.5783891303
F        12.3949585281        6.5102869640        9.2439437391
F        14.4843894581        8.3542336179        4.0600654780
F        12.8516245122        8.1535134500        2.5894778872
F        14.1380439157        6.4386756881        2.9668266215
F         6.0676352045        0.7825326970        8.6713323830
F         5.8673472161        0.7810942730        6.4963173447
F         5.3562650710        2.5804647018        7.6216078560
F        10.6080520663        1.5721510104       10.2989306596
F        12.1859957468        2.2943503051        8.9500196258
F        11.4007292642        0.2712626094        8.7277070897
F        10.8206527268        8.0042650671        8.9490965143
H        10.2646029990        5.7354191384        7.4775778831
H        13.4685627903        8.3201997331        6.2237629964
H        11.5964404226        5.6783921115        3.3877334184
H         7.1246885902        3.3177327923        5.7778198571
H         8.4394438562        0.8808301050        9.0660955012
H        11.2637146260        3.3474173703        6.9499179357
F         8.4508012954        8.0727424369        1.2543916129
F         6.3192052068        8.5783298226        1.4781385777
F         8.5349800272        1.5048028888       -0.3047115722
F         4.6536632890        8.3638721705        5.9887137343
F         7.7413823258        0.2198903463        1.2619087596
F        13.0762149440        0.7827413986        1.3171933492
F         6.9644006506        2.2824268274        1.0359005542
F         4.9415666742        6.4385888743        7.0268095772
C        11.4802483125        2.0428343068        2.5691146096
F         6.8965716400        6.5819162673        0.7430211580
C        10.4759237828        1.5628976036        1.7319029501
H        10.7025431017        0.8469891592        0.9479818893
F         6.2931187079        8.1467323576        7.4058805633
C         8.2287309496        6.0810951835        3.3597863395
H         8.8979025696        5.7402728296        2.5703935879
C         9.9092382762        3.4987500261        3.7635595758
C         8.3478496120        5.5342611028        4.6488095166
C        11.2015808147        2.9886805797        3.5645535122
H        12.0191597909        3.3400660954        4.1936988971
C         8.8984036658        2.9835130637        2.9209444182
H         7.8745538251        3.3343175113        3.0393114386
F        13.2765788884        0.7806879783        3.4916939214
C         7.4639553121        6.0322114212        5.6219879213
H         7.5176717932        5.6524787796        6.6419519357
C         6.4041699661        7.5412237477        4.0320538670
H         5.6584987826        8.2922567462        3.7946090471
C         9.1741487546        2.0425549820        1.9216623699
C         7.2785760250        7.0596305490        3.0547183186
C         6.5093076711        7.0114858845        5.3211503065
C         8.1019914224        1.5277752383        1.0018660365
C         7.2249906714        7.5742594320        1.6480502178
C        12.8876448309        1.5494344748        2.4208098829
F        13.7870573345        2.5805139816        2.3652168332
C         5.6024575087        7.4874051079        6.4188577317
B        -0.0340353743       13.0868954040        4.9990497561
C         1.1771237536       14.1210613906        5.3742345563
C         1.3040289152       14.6626082075        6.6697612686
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B         9.5143247677       12.6391636477       14.9878415593
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C        10.8538983505       11.0700905902       16.6598160871
C        11.8006838203       10.0852022010       16.9638235295
C        12.6587311074        9.5949238521       15.9724654755
C        12.5478356195       10.1197930256       14.6807845557
C        11.5968137194       11.1028770828       14.3854978526
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C         8.5612499250       15.5081670794       18.2925541694
C         9.8804292167       15.0784247875       18.0717280272
C        10.1705567232       14.1735817696       17.0482707846
C         6.1205321395       15.4250474437       17.6217618047
C        10.9718668801       15.5876610172       18.9754386909
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F        12.3428067510       10.6385414361       19.2270302182
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F         5.9438641272       16.3763253581       18.5718921342
F         5.5981638850       15.9297644575       16.4379804094
F         5.3092766089       14.3690358403       17.9714120747
F        10.5518378826       15.5841302734       20.2852771044
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F        11.3436463079       16.8813168542       18.7117511434
F        10.7702001096        9.1502451212       18.9342981477
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H         7.0504949312       13.7581568023       15.7921505186
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H        11.2017694805       13.8538954181       16.9076822461
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F         6.2649136606        8.5759314663       11.4641118955
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F         6.9098578544       14.8724242268       11.0237286085
F         4.8879197977       10.7157857676       17.0123710635
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C         8.2965963794       11.6134540474       14.6334759472
C        11.1490081408       14.1628467010       13.5532290141
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C         8.8455426039       14.1652972675       12.9104639037
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C         7.2221667696       10.0938108791       13.0396737123
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C         8.0466507821       15.6275801509       11.0066800888
C         7.1694485594        9.5806521751       11.6334839172
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F        13.7337353231       14.5739172636       12.3515951413
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C         1.2566466366        2.4982913944       16.6590197771
C         2.2036277548        1.5128887813       16.9637248187
C         3.0634033793        1.0240103879       15.9727735999
C         2.9500256140        1.5464428222       14.6803353933
C         1.9987161208        2.5302173127       14.3848767532
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C         3.8630178378        1.0816579046       13.5798976681
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C        -1.9891612698        6.5414020461       17.4110115716
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C         7.4273939831        4.5630183994       12.2243990919
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C        11.6791409810        5.2156190167       12.8969616320
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C        13.5799890792        3.8594179333       11.8709212156
C        14.5062947355        4.2946208751       13.0113408768
C        14.0916679503        5.6658054907       13.5561132327
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H        13.6977216914        4.5483352882       11.0211504184
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H         8.4253773907        6.9485226027       13.9182138965
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Rh        9.5280902839        3.4004821686       14.8938982721
P         9.1790833607        4.9859371374       16.3772929485
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H         7.1782491798        3.1240711826       17.4860410762
C        11.6633690530        4.5250260774       17.6760845082
H        11.7989448119        3.7487259402       16.9097892108
H        12.1129137434        5.4466737793       17.2758560888
C        12.1867455802        5.2184771365       20.0599467832
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H        12.6575704776        4.9016517093       21.0024264014
C         4.9825069817        5.4285310545       16.2370921520
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C         9.9591645830        5.8639212653       18.9843117543
H         8.8947688316        6.0273173355       19.1971960548
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C         4.6049948036        4.2579471613       17.1502570787
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H         4.6797497122        3.3140717769       16.5905492556
C        10.6987787756        5.5185965340       20.2923069664
H        10.5847656630        6.3554691503       20.9980001828
H        10.2188813361        4.6425761609       20.7562504945
C        12.3796418424        4.1414735039       18.9825823916
H        11.9834084995        3.1790791345       19.3418586644
H        13.4491299544        3.9809090867       18.7876113894
C         5.5311561628        4.2130612202       18.3700799469
H         5.2745622100        3.3660637341       19.0227901217
H         5.3871437627        5.1242415283       18.9699162071
C         9.6431402934        6.6777382696       15.7159424106
H         9.0539437383        7.4507677423       16.2299864142
H        10.6951799444        6.8362757980       15.9911441360
C        18.0715312347        9.5624115698       14.1412018807
C        18.0722032658        9.9128506070       15.6009837250
C        19.2689491400       10.0148257946       16.3174871376
C        20.5936328800        9.4790513769       15.8379960568
C        18.4416707158       13.2539911894       11.8862872973
C        16.9406081146       13.0064668623       12.1463159019
C        16.2080308985       12.6843935653       10.8333386722
C        16.3902718878       13.8072368780        9.8032348768
C        17.8770008578       14.1052304553        9.5627024152
C        18.6338575682       14.3963879764       10.8727468632
C        21.1747948696       13.5086995093       12.9372989762
C        21.6658741993       12.0897207330       12.5899480721
C        23.0953938520       12.1189594987       12.0303491156
C        24.0578400732       12.8033278025       13.0092720833
C        23.5626307990       14.2017050708       13.4002691926
C        22.1255938597       14.1667938504       13.9554547226
C        18.9981077363       15.1120822885       14.1843201324
H        18.8635633081       12.3288046722       11.4557981125
H        21.1855454859       14.1222293990       12.0209889051
H        16.8067468059       12.1929490513       12.8751885053
H        16.4926645631       13.9038609088       12.6000457815
H        16.5979703119       11.7393156153       10.4253008431
H        15.1408579839       12.5163699873       11.0355337172
H        15.8857992213       14.7169631341       10.1607270659
H        15.9028531882       13.5344238229        8.8558691362
H        17.9886556812       14.9661014795        8.8863343873
H        18.3418621870       13.2419683280        9.0612294334
H        19.6973521693       14.5586240331       10.6533552660
H        18.2572695318       15.3310379804       11.3071559175
H        20.9928464849       11.6078572335       11.8714258962
H        21.6374997557       11.4813452970       13.5085998651
H        23.4281670892       11.0944693223       11.8089340526
H        23.0989183522       12.6571866618       11.0703257155
H        25.0606322006       12.8626147443       12.5633823998
H        24.1587942775       12.1850390023       13.9132152407
H        23.5926361017       14.8645576708       12.5228746487
H        24.2303726995       14.6547850896       14.1472463591
H        22.1026274563       13.5947304281       14.8957570892
H        21.8011961580       15.1903788681       14.1899086952
H        19.5973246854       15.8982205205       13.7031356720
H        17.9458449835       15.3150840697       13.9425186902
P        19.3941458205       13.4445367474       13.4720662374
Rh       18.9054516999       11.7826426468       14.9615284944
P        18.7237479764       13.4256991710       16.4327489575
C        16.0036228178       13.8663572351       15.8369803749
H        16.0987463071       12.9885887192       15.1783217899
H        16.2870113491       14.7420486457       15.2353841502
C        16.9745117014       13.6985265901       17.0243703830
H        17.0012517760       14.6465712121       17.5882207680
C        19.7133103738       13.2397388991       17.9926653062
H        19.2897162272       12.3269788746       18.4434223336
C        16.5265480844       12.5726935872       17.9760265610
H        17.1665888530       12.5511016766       18.8671166859
H        16.6575353322       11.6026625224       17.4737796471
C        21.2045821889       12.9628148222       17.7223249226
H        21.3113293787       12.1557284396       16.9832713393
H        21.6754866649       13.8563333074       17.2840352833
C        21.7735126943       13.7335050017       20.0710337759
H        22.3086671220       14.6268137686       19.7172737652
H        22.2498807254       13.4427049755       21.0190539071
C        14.5449904242       14.0097444124       16.3023229580
H        14.4233997746       14.9482356275       16.8616235634
H        13.8938627306       14.0894258738       15.4188584481
C        19.5502275139       14.3959724847       18.9989969232
H        18.4914923322       14.5878067528       19.2177510500
H        19.9537058316       15.3197648287       18.5623522255
C        14.1323005903       12.8296910179       17.1873556770
H        13.0902787071       12.9319038060       17.5179774093
H        14.1776053111       11.8988175877       16.6036041987
C        20.2974841546       14.0827377150       20.3103203970
H        20.2148151729       14.9473136318       20.9862721015
H        19.8017245985       13.2369070460       20.8121071246
C        21.9234543115       12.6088631387       19.0359313497
H        21.4997772751       11.6751604499       19.4370481470
H        22.9852366849       12.4056932718       18.8397871292
C        15.0585826168       12.7241512693       18.4030698587
H        14.7749269823       11.8712849305       19.0361818883
H        14.9485920155       13.6254909386       19.0244829864
C        19.2151151786       15.0780608719       15.7071638424
H        18.6641999445       15.8832958698       16.2141474945
H        20.2791119419       15.2143897069       15.9455382857
C         8.5731303941       16.1429752871        4.1392884858
C         8.5496233914       15.8078887307        5.6022701240
C         9.7335561588       15.7088872958        6.3397198908
C        11.0690989141       16.2338560613        5.8789148842
C         8.9133814754       12.4450560324        1.9264323080
C         7.4087605129       12.6594912766        2.1954441915
C         6.6605814316       12.9612603019        0.8869784429
C         6.8593629134       11.8365236435       -0.1373739458
C         8.3507575380       11.5827087910       -0.3966107377
C         9.1323288240       11.3157472578        0.9039276459
C        11.6497414023       12.1723674827        2.9766890198
C        12.1336527777       13.5712861100        2.5483079156
C        13.5749576718       13.5260527785        2.0210765422
C        14.5247046762       12.9124497815        3.0572418830
C        14.0403269871       11.5294505364        3.5099529066
C        12.5942111942       11.5771871931        4.0385899146
C         9.4659987894       10.5960480326        4.2310898387
H         9.3129572654       13.3834271995        1.5037557087
H        11.6656655623       11.5057495884        2.0984424504
H         7.2635855190       13.4719720970        2.9235013826
H         6.9824608209       11.7541318502        2.6540497381
H         7.0295321968       13.9109806495        0.4709461567
H         5.5917883515       13.1103944704        1.0949017152
H         6.3882127726       10.9154427853        0.2351981380
H         6.3502000741       12.0863047809       -1.0787534857
H         8.4800323312       10.7247060773       -1.0734043072
H         8.7830634216       12.4589463414       -0.9049262497
H        10.1985042428       11.1949799876        0.6718592731
H         8.7961792064       10.3659242292        1.3381502372
H        11.4709784482       13.9959164652        1.7853440952
H        12.0788198735       14.2392922984        3.4235979334
H        13.9010090774       14.5396486665        1.7461475690
H        13.6044570106       12.9321094312        1.0949682390
H        15.5384425208       12.8473930603        2.6380020707
H        14.5949415817       13.5789920100        3.9289466612
H        14.0933037312       10.8245260840        2.6673108422
H        14.6992761445       11.1213008698        4.2907056334
H        12.5511259667       12.1950368511        4.9484481627
H        12.2751620713       10.5634937688        4.3194375376
H        10.0692338352        9.8071506012        3.7594196937
H         8.4158407946       10.3915708680        3.9817698684
P         9.8703654527       12.2583992996        3.5098769206
Rh        9.3874495682       13.9312606994        4.9875861699
P         9.1924475240       12.2985431066        6.4697638596
C         6.4716048067       11.8582712470        5.8801076432
H         6.5660344876       12.7287789038        5.2119630473
H         6.7546677134       10.9760382504        5.2879244456
C         7.4429524371       12.0394459854        7.0649734092
H         7.4677157691       11.0985586439        7.6408252999
C        10.1900934526       12.4847051354        8.0254693312
H         9.7859107742       13.4092452237        8.4699871648
C         6.9973028337       13.1778929095        8.0019774271
H         7.6399328943       13.2124173020        8.8906967256
H         7.1262703709       14.1409729045        7.4860942064
C        11.6843340711       12.7294035349        7.7403045273
H        11.8003461781       13.5327274266        6.9983880898
H        12.1303313629       11.8250112648        7.2984511975
C        12.2624932396       11.9549896047       10.0859477613
H        12.7723113500       11.0465254133        9.7328111490
H        12.7544346718       12.2404912300       11.0275017557
C         5.0133731352       11.7200360941        6.3486598107
H         4.8925904357       10.7876183514        6.9182956785
H         4.3607763969       11.6306035937        5.4670755514
C        10.0117352885       11.3401143761        9.0422692359
H         8.9511532127       11.1758273260        9.2737883889
H        10.3875414011       10.4036307708        8.6080365160
C         4.6017862267       12.9099545425        7.2211516732
H         3.5604876240       12.8107904721        7.5550861966
H         4.6447699603       13.8342057061        6.6267171087
C        10.7809373832       11.6436459420       10.3429417871
H        10.6850198526       10.7853919408       11.0252201312
H        10.3116364818       12.5042254188       10.8450545548
C        12.4293633714       13.0693688936        9.0426262762
H        12.0393903998       14.0172176047        9.4445692631
H        13.4940616099       13.2393632223        8.8297403019
C         5.5302136179       13.0308827678        8.4340134540
H         5.2468135283       13.8908066218        9.0574905230
H         5.4223905128       12.1367304762        9.0662199414
C         9.6698497266       10.6368591134        5.7554747188
H         9.1042273153        9.8415267564        6.2618453171
H        10.7295202545       10.4878568293        6.0045431766
C        18.1860605131        7.5840387762        4.1249399046
C        18.1596081967        7.2414328350        5.5857455545
C        19.3418630187        7.1331429275        6.3241797780
C        20.6801032215        7.6568954666        5.8703941155
C        18.4986205392        3.9004957952        1.8876422244
C        16.9986247362        4.1447760744        2.1571453583
C        16.2582470165        4.4721196866        0.8497034111
C        16.4369280273        3.3543569011       -0.1865502518
C        17.9229196794        3.0618544740       -0.4378277196
C        18.6889289111        2.7655770703        0.8655915947
C        21.2375461604        3.6171756232        2.9265814383
C        21.7271509255        5.0222072833        2.5248902896
C        23.1667622146        4.9805424527        1.9923708234
C        24.1169992185        4.3429699594        3.0138104197
C        23.6271575561        2.9542420273        3.4431595282
C        22.1820691910        2.9983023277        3.9750834811
C        19.0553089373        2.0351933830        4.1803993439
H        18.9162196166        4.8295600444        1.4614307832
H        21.2486410563        2.9679232761        2.0352839920
H        16.8684242421        4.9548835906        2.8905526800
H        16.5540431692        3.2447829343        2.6089691023
H        16.6443135402        5.4198236843        0.4439999353
H        15.1918964456        4.6375354834        1.0587439241
H        15.9373057326        2.4415817896        0.1700025713
H        15.9429335912        3.6297137267       -1.1297240165
H        18.0327835527        2.2048242308       -1.1193723524
H        18.3822775116        3.9289683796       -0.9377477051
H        19.7518381495        2.6104136733        0.6388097809
H        18.3196127870        1.8261088587        1.2960404801
H        21.0639847895        5.4662585128        1.7733285372
H        21.6785440421        5.6721714725        3.4140334810
H        23.4963334526        5.9978665515        1.7361364271
H        23.1910275507        4.4045493423        1.0547800347
H        25.1289383541        4.2800893766        2.5898102278
H        24.1936938700        4.9933209192        3.8972954419
H        23.6757603158        2.2634871816        2.5885143441
H        24.2858192362        2.5300074737        4.2155920798
H        22.1432782913        3.5994877849        4.8962987512
H        21.8597392417        1.9808370626        4.2376021541
H        19.6517245075        1.2470224403        3.6989833732
H        18.0025356591        1.8368683849        3.9371352178
P        19.4597877865        3.7007612313        3.4671277994
Rh       18.9892978653        5.3653555073        4.9581949473
P        18.7980819566        3.7227170491        6.4303195551
C        16.0778386312        3.2648098916        5.8458570436
H        16.1689103043        4.1263076108        5.1656774846
H        16.3614608545        2.3745880603        5.2661192036
C        17.0500659892        3.4638056568        7.0270441754
H        17.0770450022        2.5306493279        7.6152096848
C        19.7977516304        3.9032864558        7.9859623043
H        19.3981462236        4.8307257122        8.4286478808
C        16.6039196434        4.6147344583        7.9479524319
H        17.2466453127        4.6620175053        8.8361023948
H        16.7332212031        5.5696598874        7.4175294656
C        21.2929670566        4.1412432376        7.6996533119
H        21.4119857809        4.9417337614        6.9551244429
H        21.7353237393        3.2335712674        7.2608530940
C        21.8688094499        3.3718024098       10.0477609396
H        22.3739076575        2.4601339995        9.6962638737
H        22.3641294394        3.6567621650       10.9878484027
C        14.6209275309        3.1293647272        6.3191934310
H        14.5045108924        2.2058726599        6.9040020729
H        13.9669417520        3.0231428556        5.4406530797
C        19.6148574661        2.7627184367        9.0066565119
H        18.5536506216        2.6037735933        9.2396717048
H        19.9864349457        1.8230890144        8.5755218946
C        14.2069756713        4.3315599905        7.1733202349
H        13.1670640039        4.2332714120        7.5122028374
H        14.2446475618        5.2463319122        6.5641014595
C        20.3858459300        3.0675174654       10.3065538642
H        20.2863957027        2.2119430780       10.9917344096
H        19.9196823799        3.9315392458       10.8059203243
C        22.0394340270        4.4825338121        9.0010245835
H        21.6529989815        5.4332738197        9.3998113914
H        23.1047451764        4.6480567463        8.7875818237
C        15.1374562656        4.4749277953        8.3819514162
H        14.8547875772        5.3467303245        8.9889900494
H        15.0297721790        3.5931871442        9.0310729086
C        19.2702781768        2.0653391575        5.7038356475
H        18.7069243278        1.2674585860        6.2088373141
H        20.3314360127        1.9133816609        5.9445520150
H         9.6324296115       15.5399417608        7.4122821348
H         7.5838272574       15.7448896641        6.1007343478
H         7.5697062207       16.2785718405        3.7229021732
H         9.0267471786       15.2944813641        3.5083460556
H         9.2058392955       17.0068410939        3.8927205756
H        11.1255568889       17.3216342771        6.0556264161
H        11.2513867808       16.0797927180        4.8066405812
H        11.8937774766       15.7719155388        6.4325226173
H         9.0272149731        1.1009331891       14.1945004907
H         9.6895757634        1.5619351833       17.1679854245
H         7.0430801984        0.1862398792       15.3137242812
H         6.6937775710        1.9048183704       15.1445530898
H         7.2267993988        1.2491594481       16.7181604340
H        12.0498571531        1.6699259652       16.2047231896
H        11.4508144277        1.1011939745       14.6277139310
H        11.4599301352        0.0161311770       16.0218259012
H        17.1927674840        7.1797771437        6.0822725039
H        19.2378287334        6.9573437916        7.3953852840
H        21.5019833887        7.1851728736        6.4198642652
H        20.8627938941        7.5137882016        4.7967996816
H        20.7413980827        8.7423107813        6.0592789608
H        17.1836926071        7.7259227874        3.7083157763
H        18.8227482463        8.4463015534        3.8833721472
H        18.6368781444        6.7372163264        3.4892072468
H        17.1149961166        9.9819379681       16.1147800332
H        19.1876794816       10.1932113034       17.3901049184
H        20.6500571757        8.3937964628       16.0296227277
H        20.7542138571        9.6159035259       14.7601007526
H        21.4309105664        9.9461942642       16.3678244208
H        17.0612206790        9.4298162156       13.7410306574
H        18.6937262033        8.6906650177       13.8954194736
H        18.5231556307       10.3996250329       13.4956903260
632
SCF Energy = -4406.9932785649 (a.u.)
Lowest Frequencies = i47.084480  13.270633  19.143759 (cm^-1)
TS(III-III') / [1-(2-butene)][BArF4]
B         9.5698144425        4.5167662903        5.0029473799
C        10.7810916938        5.5536384452        5.3851915021
C        10.9122473912        6.0979065431        6.6801282665
C        11.8622921985        7.0834394153        6.9858747769
C        12.7187309874        7.5712635098        5.9924239146
C        12.6047371992        7.0430310068        4.7006505721
C        11.6530426418        6.0600668356        4.4068084432
C        11.9992560250        7.5483040431        8.4168332452
C        13.5165650600        7.4978711633        3.5957225000
C         9.2298937369        3.4935001649        6.2216735228
C         7.9391849831        2.9790843550        6.4137647239
C         7.6613928751        2.0460112744        7.4198237532
C         8.6646477443        1.5855859300        8.2680416700
C         9.9636533652        2.0690542472        8.0744282884
C        10.2408558400        2.9949002821        7.0671131988
C         6.2564142599        1.5508176336        7.5681516040
C        11.0384832858        1.5670975527        8.9889776388
F        12.8954197214        8.5691024614        8.5783420354
F        12.3947331743        6.5104135695        9.2436430343
F        14.4843689375        8.3543635064        4.0600405311
F        12.8516335430        8.1536159669        2.5893282701
F        14.1379098994        6.4387584851        2.9668830901
F         6.0678343849        0.7827349314        8.6699668766
F         5.8671149105        0.7810894395        6.4954262052
F         5.3560787645        2.5805656639        7.6213918700
F        10.6073023035        1.5715078848       10.2966145058
F        12.1858371762        2.2942574166        8.9496162353
F        11.4007246698        0.2710498306        8.7273042156
F        10.8201852541        8.0042726111        8.9493829969
H        10.2592018135        5.7404775995        7.4757122434
H        13.4679289747        8.3205762261        6.2239618634
H        11.5953650757        5.6805829989        3.3866360262
H         7.1239010491        3.3192522206        5.7753355518
H         8.4393781788        0.8809299097        9.0617528359
H        11.2629669498        3.3493394413        6.9466687403
F         8.4509625775        8.0733807585        1.2543938918
F         6.3191155592        8.5789690807        1.4777848655
F         8.5350764465        1.5049899489       -0.3050969747
F         4.6533838844        8.3641618958        5.9887314053
F         7.7414889957        0.2201232817        1.2617840498
F        13.0762047036        0.7827624636        1.3167971593
F         6.9641024898        2.2825140111        1.0358571962
F         4.9415527908        6.4387426833        7.0265580239
C        11.4798132397        2.0434081133        2.5682313119
F         6.8965030877        6.5821551683        0.7429989018
C        10.4751310317        1.5624257754        1.7320327769
H        10.7010440508        0.8449765443        0.9493459262
F         6.2930683690        8.1468340632        7.4057274339
C         8.2278224177        6.0822982496        3.3585951444
H         8.8971257520        5.7423482097        2.5689662916
C         9.9086928054        3.5010193109        3.7611385539
C         8.3469102168        5.5355226299        4.6474569456
C        11.2010258430        2.9908635238        3.5621288695
H        12.0185509571        3.3435252655        4.1904634164
C         8.8979329228        2.9856465435        2.9185898950
H         7.8742907544        3.3375207137        3.0355833166
F        13.2764475652        0.7808916454        3.4912877225
C         7.4635881715        6.0335165633        5.6210242199
H         7.5181958783        5.6546009990        6.6412159600
C         6.4033493655        7.5423925716        4.0312587591
H         5.6579256985        8.2936730313        3.7937922942
C         9.1736867191        2.0432658999        1.9207620001
C         7.2777703628        7.0608130334        3.0539790223
C         6.5087316855        7.0125450982        5.3203344801
C         8.1014438663        1.5276936950        1.0017549327
C         7.2250904828        7.5751701346        1.6473906185
C        12.8873805948        1.5498252868        2.4204190249
F        13.7869268443        2.5806184399        2.3651090455
C         5.6024271230        7.4878698939        6.4186562214
B        -0.0335887542       13.0889610626        4.9974701194
C         1.1768547002       14.1235073606        5.3730651310
C         1.3033070289       14.6652247288        6.6685677239
C         2.2516703107       15.6484838960        6.9749359881
C         3.1107344093       16.1380716406        5.9840099586
C         3.0010822220       15.6129994990        4.6925406387
C         2.0502122805       14.6297264287        4.3957867300
C         2.3957700052       16.1209850804        8.3994298896
C         3.9167339982       16.0732528135        3.5934260512
C        -0.3700142154       12.0685383446        6.2189028026
C        -1.6605176504       11.5550531788        6.4128390490
C        -1.9375301801       10.6230369767        7.4197350458
C        -0.9335133009       10.1630736721        8.2673518210
C         0.3654755902       10.6464019468        8.0724271589
C         0.6419589245       11.5710342759        7.0639748603
C        -3.3423586859       10.1283364349        7.5683279785
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C        11.7950349247       10.0852630817       16.9615379597
C        12.6537121681        9.5955548058       15.9703419193
C        12.5441998595       10.1204841290       14.6787164500
C        11.5927161284       11.1033836718       14.3819723528
C        11.9397671374        9.6115404937       18.3859146080
C        13.4606712254        9.6601239564       13.5801132288
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C         7.8833750600       14.1797933754       16.3996615903
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C         8.6115308023       15.5739580324       18.2523054666
C         9.9108335133       15.0923688693       18.0546531898
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C         6.2016268510       15.6047349474       17.5561619073
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F        14.4285106705        8.8030514537       14.0467356097
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F         5.8121375944       16.3737355486       16.4840634695
F         5.3019592729       14.5742184977       17.6082692725
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F        12.1314096960       14.8615720249       18.9357199522
F        11.3475407986       16.8878691399       18.7118296983
F        10.7693498391        9.1495686231       18.9344083321
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H        13.4022492758        8.8465522989       16.2038735849
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H         7.0663436869       13.8372116207       15.7646251221
H         8.3876178447       16.2778003201       19.0470137109
H        11.2097037441       13.8172735598       16.9211641184
F         8.3966968861        9.0816749072       11.2409932688
F         6.2650229941        8.5761036038       11.4642931121
F         8.4808806053       15.6507713203        9.6828289061
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F         7.6867692044       16.9369753280       11.2490940623
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F         6.9106083882       14.8733591128       11.0228912249
F         4.8874307306       10.7163195772       17.0130445803
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F         6.8423355986       10.5729929515       10.7290468998
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F         6.2390627231        9.0082267054       17.3919662345
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C         9.8521772251       13.6605175603       13.7449607579
C         8.2868612572       11.6275240787       14.6298791705
C        11.1466808962       14.1634678292       13.5430038237
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C         8.8416172786       14.1805665293       12.9069183191
H         7.8169353649       13.8324749122       13.0261095883
F        13.2230367517       16.3731863819       13.4758386403
C         7.4061787294       11.1272526757       15.6049503182
H         7.4604283466       11.5075976352       16.6246174508
C         6.3503845985        9.6125546416       14.0179609654
H         5.6070371218        8.8588916489       13.7816234872
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C         7.2222076578       10.0963596802       13.0394075706
C         6.4545035892       10.1443827659       15.3063609431
C         8.0459587816       15.6326660834       10.9905736627
C         7.1704756491        9.5802714724       11.6334594142
C        12.8337151343       15.6036898686       12.4037375671
F        13.7333480364       14.5738985392       12.3512161482
C         5.5486788933        9.6680610199       16.4049392277
B        -0.0873548794        4.0772115970       14.9887711106
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C         1.2507770190        2.4985277748       16.6571535989
C         2.1961781514        1.5111902788       16.9616303769
C         3.0521746370        1.0200211074       15.9688063286
C         2.9427097258        1.5454132910       14.6773150742
C         1.9931169904        2.5309868442       14.3821620501
C         2.3410899863        1.0352469737       18.3855086924
C         3.8590453267        1.0816139384       13.5790301780
C        -0.4186766364        5.1023789633       16.2107747804
C        -1.7113286542        5.6087693400       16.4065035577
C        -1.9905533566        6.5433421205       17.4093298110
C        -0.9876389720        7.0184814666       18.2500791380
C         0.3149405726        6.5455433998       18.0549090175
C         0.5922904301        5.6134867809       17.0505019418
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F         3.2412762949        0.0097579416       18.4973721944
F         2.7434909171        2.0613891024       19.2263638668
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F         4.4846707460        2.1394194979       12.9523777682
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F        -4.2960325629        5.9976436397       17.6079609598
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F         2.5254591134        6.2962830568       18.9372795705
F         1.7503179236        8.3590418798       18.7122946335
F         1.1705721886        0.5724882648       18.9341832237
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H         3.7993521586        0.2691233409       16.2007314265
H         1.9356389368        2.9105097496       13.3620325547
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H        -1.2163451533        7.7257191415       19.0401811623
H         1.6156981458        5.2642673089       16.9268463162
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F        -3.3334841053       -0.0006460269       11.4647648100
F        -1.1182004613        7.0731785406        9.6813561517
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F         3.6236133931        7.7968598067       13.4773053639
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C        -3.2486593313        1.0402305609       14.0178065455
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C        -3.1462778158        1.5722857097       15.3062399362
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C         8.5312163172        1.4361970860       15.8350273698
C         9.9135173197        1.3583134201       16.0195879912
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C         7.4016211810        4.4368758481       12.1783398697
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C         8.2873406805        5.5019044057        9.5600370345
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C        11.6475008063        5.0820044564       12.8796311338
C        12.1484907661        3.7367864641       12.3227683612
C        13.6017298283        3.8199767217       11.8402125890
C        14.5217172261        4.3235668540       12.9573684981
C        14.0384650207        5.6756764572       13.4943078595
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C         9.4188506501        6.5524607384       14.1696183507
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H         7.2830300902        3.6263158461       12.9128082891
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H        13.6627086785        4.4992998381       10.9774571157
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H        14.5461350024        3.5886524220       13.7753701770
H        14.1119593378        6.4323119243       12.6999337316
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H        10.0156107773        7.3570767355       13.7165753240
H         8.3710166400        6.7372110946       13.8966225209
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Rh        9.5480532827        3.2215337480       14.9611741252
P         9.1141316124        4.8355598756       16.3930316965
C         6.3973956619        5.2249413475       15.7660914100
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H         6.6944827348        6.0671066637       15.1246489158
C         7.3566905667        5.1026849750       16.9676338409
H         7.3783312393        6.0727995361       17.4935161556
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H         7.5295295170        4.0137546608       18.8510714599
H         6.9817970476        3.0357856443       17.4938534618
C        11.5929490701        4.3894707469       17.6916762899
H        11.7138677364        3.5802753484       16.9555294601
H        12.0431521910        5.2893808248       17.2448284451
C        12.1520658552        5.1772640281       20.0379449312
H        12.6607983821        6.0855478389       19.6824802970
H        12.6395732532        4.8988077516       20.9841177099
C         4.9371311156        5.4082471826       16.2130227794
H         4.8235787703        6.3759943421       16.7214685103
H         4.2933410383        5.4486290074       15.3218118298
C         9.9097735875        5.7856216011       18.9742908617
H         8.8476657743        5.9542615397       19.1957780319
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C         4.5041205226        4.2814340326       17.1555381110
H         3.4617642711        4.4130427335       17.4736749321
H         4.5401307954        3.3211445622       16.6210520184
C        10.6676738826        5.4845602207       20.2825214114
H        10.5631261323        6.3433886489       20.9626761042
H        10.1960250508        4.6232722336       20.7809354690
C        12.3277799552        4.0579964271       19.0016593892
H        11.9357949404        3.1118680759       19.4058924758
H        13.3940585680        3.8873685244       18.7967871505
C         5.4224635023        4.2255259578       18.3804957791
H         5.1230062617        3.4091287309       19.0534437251
H         5.3257653313        5.1584333446       18.9554831000
C         9.5888444468        6.5062857430       15.6970197703
H         9.0071026310        7.2953778892       16.1948517530
H        10.6423358445        6.6604176424       15.9689526050
C        18.0811960378        9.5636368395       14.1258805850
C        18.0703551901        9.9051325404       15.5874882649
C        19.2612024933       10.0073113745       16.3134916303
C        20.5920456801        9.4805242924       15.8412304172
C        18.4354635676       13.2562073804       11.8942170520
C        16.9328877704       13.0170790123       12.1539639971
C        16.2004855092       12.6907113534       10.8418942502
C        16.3888528817       13.8075956900        9.8064339659
C        17.8772709609       14.0960911994        9.5645388171
C        18.6367726423       14.3896541205       10.8726168403
C        21.1674241968       13.5390375347       12.9562464644
C        21.6604127551       12.1371267682       12.5482734529
C        23.1046280171       12.1821573065       12.0284799338
C        24.0456229786       12.8097020086       13.0644468324
C        23.5535876306       14.1956905710       13.4996580068
C        22.1032525151       14.1498702792       14.0171390884
C        18.9742227734       15.1133825402       14.1990706791
H        18.8525054637       12.3253907651       11.4714600962
H        21.1854538947       14.1949463278       12.0699274709
H        16.7949697162       12.2082094861       12.8873518183
H        16.4880282389       13.9189108497       12.6018318124
H        16.5868227166       11.7418139138       10.4392876515
H        15.1323678574       12.5280994902       11.0437401033
H        15.8893847909       14.7217357271       10.1596304743
H        15.9000029192       13.5330589358        8.8602945633
H        17.9936048768       14.9530185566        8.8839554242
H        18.3371395007       13.2279029697        9.0670803551
H        19.7017948539       14.5397482276       10.6518825132
H        18.2693049345       15.3309549449       11.3006060810
H        21.0037213524       11.6994664692       11.7878106673
H        21.6041907515       11.4804618305       13.4319808590
H        23.4356434310       11.1666790381       11.7665302712
H        23.1379076293       12.7663022733       11.0962201788
H        25.0623392932       12.8740484081       12.6520650793
H        24.1116312967       12.1521215935       13.9433138174
H        23.6124491116       14.8930935029       12.6511812878
H        24.2046107190       14.6125953911       14.2824833687
H        22.0552862285       13.5421776351       14.9335671978
H        21.7797867686       15.1659250980       14.2839425868
H        19.5720255405       15.9045043625       13.7242720288
H        17.9223309449       15.3113297589       13.9516530387
P        19.3848810800       13.4514271436       13.4811984047
Rh       18.9020083732       11.7806283900       14.9622495839
P        18.7091984497       13.4152754267       16.4415034257
C        15.9875807797       13.8534810405       15.8535233125
H        16.0788614459       12.9803607868       15.1882328501
H        16.2711773028       14.7329981246       15.2576923184
C        16.9603822064       13.6745521702       17.0375816230
H        16.9854719978       14.6164977884       17.6117376642
C        19.7075493884       13.2306663687       17.9972316998
H        19.3021099806       12.3066401017       18.4417334137
C        16.5152884176       12.5384678287       17.9773455064
H        17.1601759404       12.5042112086       18.8643340417
H        16.6405922606       11.5743383628       17.4625156873
C        21.2016174597       12.9835412868       17.7131247805
H        21.3167339179       12.1805623408       16.9706813525
H        21.6494446859       13.8876839756       17.2726215179
C        21.7788297243       13.7545646241       20.0602580780
H        22.2899767447       14.6628483386       19.7083369691
H        22.2699892190       13.4676041679       21.0019207945
C        14.5308837642       13.9968050249       16.3250038520
H        14.4134666091       14.9316171058       16.8914843714
H        13.8761541754       14.0841293460       15.4448468519
C        19.5301837139       14.3748851753       19.0147763781
H        18.4697013378       14.5408276572       19.2456521137
H        19.9084089741       15.3115049970       18.5824378191
C        14.1189410371       12.8107977657       17.2023630854
H        13.0789574116       12.9130726444       17.5389092769
H        14.1583017349       11.8850870500       16.6101983994
C        20.2973801753       14.0676233505       20.3159702279
H        20.2017893015       14.9245360844       20.9999377822
H        19.8259790608       13.2067782716       20.8155670124
C        21.9450892447       12.6410269710       19.0157993671
H        21.5531069881       11.6932134529       19.4160773298
H        23.0097935805       12.4693214389       18.8038750328
C        15.0500689864       12.6902207621       18.4129245142
H        14.7657730688       11.8321826860       19.0385563312
H        14.9463038893       13.5858314827       19.0437040169
C        19.1818164140       15.0765129213       15.7233182064
H        18.6148557803       15.8711710261       16.2292713576
H        20.2415177656       15.2289454268       15.9699964135
C         8.5820270676       16.1811747124        4.1365771311
C         8.5583400429       15.8328342352        5.5962268255
C         9.7428033678       15.7216415596        6.3310130919
C        11.0800511297       16.2447285474        5.8732684082
C         8.9071538604       12.4948446611        1.8888847047
C         7.4066686442       12.7429173684        2.1526505370
C         6.6720371227       13.0729552444        0.8427577744
C         6.8515371778       11.9551898676       -0.1933209816
C         8.3377378360       11.6589164970       -0.4391222153
C         9.0989408711       11.3600185258        0.8667299499
C        11.6404381423       12.2019616428        2.9462453159
C        12.1387881742       13.6058476688        2.5520979266
C        13.5815394091       13.5591747648        2.0292292050
C        14.5217806769       12.9178332730        3.0571575586
C        14.0242245240       11.5302578073        3.4809382422
C        12.5747200078       11.5776360510        4.0006419751
C         9.4432389381       10.6279794605        4.1830081353
H         9.3288925939       13.4229306493        1.4648852883
H        11.6556210114       11.5548060810        2.0534513437
H         7.2757549962       13.5528937073        2.8860492631
H         6.9578716563       11.8439033802        2.6022533732
H         7.0623244192       14.0197489269        0.4390633686
H         5.6053377026       13.2414060486        1.0476665127
H         6.3482322994       11.0435379256        0.1610283567
H         6.3617177856       12.2327624931       -1.1380870863
H         8.4478232298       10.8020412286       -1.1208102723
H         8.8008782363       12.5251306109       -0.9368469665
H        10.1625177531       11.2040033828        0.6432380686
H         8.7270546489       10.4202623806        1.2948375674
H        11.4829009638       14.0543482500        1.7974177893
H        12.0871429260       14.2534846182        3.4427099778
H        13.9167378112       14.5752823091        1.7755128207
H        13.6100862882       12.9831642073        1.0918714771
H        15.5368682434       12.8523084319        2.6411786512
H        14.5935192455       13.5671735705        3.9417077193
H        14.0785089091       10.8402944265        2.6260398185
H        14.6748962446       11.1036680603        4.2587681405
H        12.5304468273       12.1774212762        4.9224731894
H        12.2472349318       10.5606885897        4.2587953537
H        10.0387363186        9.8377281814        3.7038748158
H         8.3909169847       10.4344057935        3.9340098302
P         9.8588476649       12.2922287352        3.4736169520
Rh        9.3857248661       13.9577728785        4.9640474182
P         9.1831995561       12.3152850003        6.4338218478
C         6.4606979973       11.8914841273        5.8406623328
H         6.5549433656       12.7687486234        5.1812897740
H         6.7422912995       11.0152200052        5.2391086509
C         7.4328445343       12.0600333150        7.0266747087
H         7.4536494262       11.1148132502        7.5956038460
C        10.1804042462       12.4879848937        7.9913799137
H         9.7795390893       13.4125972967        8.4388205905
C         6.9904248650       13.1928241112        7.9717836264
H         7.6354740759       13.2223160565        8.8589322797
H         7.1176361776       14.1588791833        7.4610154342
C        11.6762474459       12.7278148197        7.7104219081
H        11.7972520965       13.5316488434        6.9698382283
H        12.1202131089       11.8222564334        7.2688673075
C        12.2443550888       11.9489398211       10.0573704531
H        12.7528058761       11.0394307206        9.7051099615
H        12.7341571295       12.2317239879       11.0010016914
C         5.0032760234       11.7486621032        6.3100576265
H         4.8829946983       10.8097642402        6.8691396102
H         4.3494663862       11.6699580226        5.4284189470
C         9.9957795982       11.3411127755        9.0045246573
H         8.9341098657       11.1782077368        9.2323623216
H        10.3713501907       10.4048081289        8.5694815720
C         4.5932363602       12.9293626790        7.1955617677
H         3.5529684190       12.8260812552        7.5314658656
H         4.6335254108       13.8587513576        6.6092485225
C        10.7609886802       11.6410218757       10.3086594498
H        10.6602671228       10.7824463292       10.9897747839
H        10.2915860644       12.5022656780       10.8097329102
C        12.4184231798       13.0638121602        9.0155531584
H        12.0303350632       14.0127731402        9.4168730143
H        13.4844206357       13.2303448661        8.8063361690
C         5.5247114673       13.0419116868        8.4068213775
H         5.2423053129       13.8976670525        9.0365243403
H         5.4190737884       12.1436631755        9.0335999762
C         9.6504751736       10.6561112918        5.7073188638
H         9.0809497284        9.8605045410        6.2088680205
H        10.7097026493       10.4990251020        5.9531744423
C        18.1713333318        7.5907419119        4.1305898603
C        18.1476893928        7.2420703423        5.5900736595
C        19.3316031494        7.1279983672        6.3251776991
C        20.6698829557        7.6509088023        5.8703062589
C        18.4870598368        3.9087974688        1.8776278022
C        16.9866745123        4.1548540261        2.1435040899
C        16.2502196542        4.4854334895        0.8347575550
C        16.4302000665        3.3693861214       -0.2031072046
C        17.9165289616        3.0750457978       -0.4506663669
C        18.6785248102        2.7751823925        0.8542423837
C        21.2225051191        3.6196095057        2.9273350853
C        21.7160898394        5.0254874079        2.5334228489
C        23.1588760713        4.9842029951        2.0097431639
C        24.1024845227        4.3428257437        3.0348643779
C        23.6089773629        2.9529747709        3.4563606631
C        22.1604673599        2.9960717885        3.9790293013
C        19.0314862832        2.0380286868        4.1670873442
H        18.9073852060        4.8378761192        1.4541437072
H        21.2372058901        2.9734002259        2.0338720464
H        16.8556159128        4.9640074632        2.8777835493
H        16.5395532560        3.2548325567        2.5926876848
H        16.6387277254        5.4333045200        0.4318447317
H        15.1834472700        4.6520853094        1.0408747020
H        15.9282626947        2.4566093580        0.1502818778
H        15.9390744616        3.6478795157       -1.1468253354
H        18.0271216588        2.2191082465       -1.1334841986
H        18.3785805827        3.9423491901       -0.9477019148
H        19.7419192050        2.6189663463        0.6302158356
H        18.3066462474        1.8353652677        1.2818819650
H        21.0580422768        5.4726432148        1.7792196154
H        21.6626192451        5.6723921631        3.4244834676
H        23.4909603241        6.0018557578        1.7580831476
H        23.1881441290        4.4108766771        1.0707987390
H        25.1170821978        4.2804890293        2.6169517023
H        24.1743165955        4.9902780701        3.9208910838
H        23.6628517941        2.2650250581        2.5997447266
H        24.2621831412        2.5258558209        4.2317813583
H        22.1163879727        3.5940053956        4.9020892593
H        21.8357393774        1.9779008976        4.2358782319
H        19.6267896381        1.2495705548        3.6847911825
H        17.9788004572        1.8434990387        3.9203585556
P        19.4423500451        3.7045714197        3.4598623676
Rh       18.9713390264        5.3663318383        4.9542734915
P        18.7748568787        3.7202039093        6.4209895054
C        16.0530364737        3.2871512487        5.8286088836
H        16.1485270788        4.1580982111        5.1611222129
H        16.3334488467        2.4046288246        5.2357328805
C        17.0250510064        3.4652926524        7.0133588459
H        17.0455148353        2.5248168550        7.5900606091
C        19.7716474990        3.8930716152        7.9790067575
H        19.3723160736        4.8194014577        8.4242552363
C        16.5840163415        4.6070545434        7.9479636822
H        17.2267650369        4.6415532973        8.8367530655
H        16.7161480524        5.5680448007        7.4292391728
C        21.2680351572        4.1297241144        7.6982039853
H        21.3905545775        4.9321604748        6.9563448918
H        21.7104976441        3.2225964345        7.2583479072
C        21.8347127862        3.3534998348       10.0464041294
H        22.3406530510        2.4423034058        9.6949008055
H        22.3263667440        3.6361028786       10.9891886148
C        14.5952007926        3.1512393005        6.2985224211
H        14.4733496584        2.2190839829        6.8683281355
H        13.9418695096        3.0628713901        5.4175617352
C        19.5842854071        2.7490178031        8.9947900705
H        18.5222219302        2.5895879406        9.2232167988
H        19.9570897159        1.8108061726        8.5616836890
C        14.1864509858        4.3423259378        7.1703178025
H        13.1462762100        4.2438525287        7.5080132410
H        14.2276734198        5.2653115096        6.5740913705
C        20.3505649065        3.0494260513       10.2984479571
H        20.2478759595        2.1921205599       10.9808528589
H        19.8830289176        3.9125270193       10.7982159529
C        22.0104664017        4.4666448603        9.0030313189
H        21.6235541160        5.4166587711        9.4030707084
H        23.0767597527        4.6314158468        8.7938408071
C        15.1175638248        4.4655017406        8.3803869851
H        14.8374318076        5.3291458244        9.0000511279
H        15.0077946592        3.5747377915        9.0166401208
C        19.2423210080        2.0629804580        5.6911013622
H        18.6739531325        1.2661867456        6.1921786560
H        20.3020703542        1.9056784133        5.9344812490
H         9.6423406125       15.5438819036        7.4021800915
H         7.5928629533       15.7706101879        6.0952960400
H         7.5789609861       16.3238995772        3.7219475637
H         9.0330701430       15.3377011079        3.4972974376
H         9.2174529953       17.0452446123        3.8979270923
H        11.1421110535       17.3304312572        6.0602502313
H        11.2601142411       16.1003623320        4.7993361648
H        11.9032366154       15.7735338348        6.4211897842
H         7.9157666498        1.5896497274       16.7202501731
H        10.3303949877        1.4493527903       17.0211206371
H         6.8407860516        1.4260159170       14.4977365260
H         7.6366787504       -0.1475145043       14.6786345699
H         8.3799408148        1.0976844228       13.6767965407
H        11.8701455644        0.8795842286       15.2075596258
H        10.7700285332        1.6017704022       14.0173826015
H        10.5245060894       -0.0697014268       14.4936893220
H        17.1819479202        7.1805292066        6.0887634443
H        19.2298025244        6.9483383743        7.3959506127
H        21.4923633910        7.1752776171        6.4156670957
H        20.8494752851        7.5121304180        4.7956391269
H        20.7337086903        8.7353645836        6.0637380296
H        17.1682216878        7.7363293517        3.7170562693
H        18.8090928043        8.4528408643        3.8911934996
H        18.6188558478        6.7457560153        3.4903507850
H        17.1091238663        9.9680353014       16.0945069808
H        19.1706521126       10.1792844937       17.3864024952
H        20.6505384591        8.3936613780       16.0231208043
H        20.7620729568        9.6280361046       14.7660897489
H        21.4227270969        9.9456606251       16.3830743828
H        17.0741763462        9.4291338700       13.7181488068
H        18.7090795923        8.6963900940       13.8788578063
H        18.5332302134       10.4069509502       13.4880471718
632
SCF Energy = -4406.9946156352 (a.u.)
Lowest Frequencies = 16.322855  19.318704  20.759316 (cm^-1)
III' (librated) / [1-(2-butene)][BArF4]
B         9.5701463299        4.5155397320        5.0063697871
C        10.7815434011        5.5526381342        5.3871424894
C        10.9130901044        6.0969918190        6.6819116713
C        11.8638272011        7.0820229065        6.9867697509
C        12.7202560574        7.5694957454        5.9932610869
C        12.6050072109        7.0422159207        4.7012145005
C        11.6530219142        6.0592364055        4.4082390915
C        11.9997183695        7.5480678639        8.4170794115
C        13.5167556470        7.4976676289        3.5960914512
C         9.2303748552        3.4939883395        6.2264679951
C         7.9398932907        2.9789648447        6.4177223965
C         7.6616604037        2.0453682877        7.4229530217
C         8.6642600417        1.5851594528        8.2721447362
C         9.9629431310        2.0697423233        8.0797190786
C        10.2406408883        2.9959673647        7.0729927009
C         6.2565941951        1.5503346136        7.5694754223
C        11.0379602109        1.5676750796        8.9937781737
F        12.8954920514        8.5691998337        8.5784753723
F        12.3947367547        6.5103420642        9.2438126590
F        14.4843526045        8.3542329941        4.0600677093
F        12.8516200949        8.1534658736        2.5895151878
F        14.1381808203        6.4387718481        2.9671079988
F         6.0675930229        0.7824103836        8.6709908601
F         5.8672717124        0.7811155435        6.4961374940
F         5.3562708917        2.5804100354        7.6215258698
F        10.6086758447        1.5723196999       10.3011305172
F        12.1860433613        2.2944443322        8.9498748885
F        11.4005101471        0.2717783796        8.7279437870
F        10.8203887217        8.0041706850        8.9492858849
H        10.2599354213        5.7404802219        7.4779650919
H        13.4700286874        8.3182007149        6.2248694852
H        11.5944350794        5.6795339022        3.3883235750
H         7.1248824144        3.3186058252        5.7787229969
H         8.4390759466        0.8801031130        9.0654843408
H        11.2628493663        3.3506508465        6.9539836088
F         8.4508295179        8.0731516323        1.2546026340
F         6.3192794746        8.5786749831        1.4780515129
F         8.5354812918        1.5048806303       -0.3036170445
F         4.6537593348        8.3640385287        5.9887964690
F         7.7413913544        0.2198868628        1.2621259394
F        13.0761258894        0.7827871505        1.3173850481
F         6.9643756577        2.2823078631        1.0361678263
F         4.9417283866        6.4385849764        7.0269164223
C        11.4799903027        2.0427491500        2.5706838954
F         6.8965523967        6.5821267834        0.7431906155
C        10.4752819421        1.5625831593        1.7340635274
H        10.7019213528        0.8467857102        0.9501909885
F         6.2931383477        8.1468435974        7.4060634049
C         8.2276785622        6.0806504437        3.3606711884
H         8.8963715023        5.7390380743        2.5714835843
C         9.9089306099        3.4981006085        3.7658402275
C         8.3471184041        5.5344365308        4.6499450260
C        11.2015229035        2.9886021199        3.5662773786
H        12.0192223789        3.3407591578        4.1948889156
C         8.8978655131        2.9825611204        2.9236348625
H         7.8740768882        3.3332962189        3.0424544716
F        13.2766407210        0.7807232199        3.4918660807
C         7.4641085546        6.0331322125        5.6234453634
H         7.5186507548        5.6549656295        6.6441045703
C         6.4040761664        7.5415375290        4.0324593507
H         5.6582620793        8.2924197398        3.7950696636
C         9.1734729559        2.0420142127        1.9239376271
C         7.2783681833        7.0597960010        3.0551088232
C         6.5093220495        7.0119298399        5.3216415960
C         8.1013209392        1.5272493763        1.0040720379
C         7.2252190371        7.5745303144        1.6481602513
C        12.8875639882        1.5497160290        2.4211477731
F        13.7868967586        2.5805570376        2.3651608846
C         5.6026133590        7.4876119333        6.4192132306
B        -0.0340714309       13.0866124067        4.9987939657
C         1.1769188775       14.1211494266        5.3741172100
C         1.3038998632       14.6626861701        6.6696618899
C         2.2521075744       15.6463349952        6.9756104224
C         3.1111077882       16.1356061527        5.9845092690
C         3.0010748867       15.6109764377        4.6928483538
C         2.0500115244       14.6274764695        4.3965216366
C         2.3958722267       16.1204415337        8.3996553483
C         3.9164744149       16.0724631647        3.5937154934
C        -0.3702769551       12.0664220603        6.2201675003
C        -1.6605962757       11.5529174056        6.4143369904
C        -1.9375383115       10.6212214942        7.4214167492
C        -0.9337636056       10.1612775681        8.2692325659
C         0.3650950655       10.6445846656        8.0736892196
C         0.6416784842       11.5687951163        7.0650110120
C        -3.3425003880       10.1275202768        7.5692229320
C         1.4404197445       10.1441632390        8.9881943110
F         3.2957585950       17.1456519443        8.5113559639
F         2.7974874906       15.0938543795        9.2400483517
F         4.8837667874       16.9301284556        4.0601977294
F         3.2525859358       16.7309878115        2.5886757985
F         4.5395247078       15.0153941797        2.9656922752
F        -3.5313703190        9.3597999638        8.6711503807
F        -3.7317045327        9.3583981993        6.4961116462
F        -4.2426743951       11.1577336933        7.6215664308
F         1.0080577898       10.1487604621       10.2954474588
F         2.5868791774       10.8714946215        8.9496354858
F         1.8019928333        8.8477922524        8.7272611612
F         1.2247906358       16.5823745396        8.9479021514
H         0.6490689074       14.3052054210        7.4636386129
H         3.8599074883       16.8843746278        6.2180474101
H         1.9933456821       14.2479645103        3.3764320547
H        -2.4764663964       11.8924057280        5.7763749401
H        -1.1580503639        9.4573891960        9.0638445911
H         1.6638635954       11.9228229226        6.9434799188
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F        -3.2798447051       17.1562312371        1.4779028701
F        -1.0641507780       10.0820068113       -0.3046145335
F        -4.9453316706       16.9411323794        5.9886846984
F        -1.8577601410        8.7970298379        1.2616322387
F         3.4774274320        9.3600906660        1.3169387968
F        -2.6346461028       10.8595009973        1.0361180476
F        -4.6575067976       15.0160249743        7.0265951411
C         1.8807405825       10.6195887791        2.5677680680
F        -2.7025021217       15.1594372761        0.7428005389
C         0.8774792329       10.1419102872        1.7280609703
H         1.1052383815        9.4288989793        0.9424411258
F        -3.3057905687       16.7241456986        7.4057146802
C        -1.3749913364       14.6545119623        3.3567440462
H        -0.7068600919       14.3133190778        2.5665836902
C         0.3063704417       12.0711533305        3.7614798773
C        -1.2567908403       14.1062788340        4.6450729964
C         1.5995389861       11.5625818705        3.5647068055
H         2.4153454152       11.9136005729        4.1962540052
C        -0.7033336155       11.5567670082        2.9189589135
H        -1.7275835149       11.9060235393        3.0377664700
F         3.6775215538        9.3582976318        3.4914492657
C        -2.1380433798       14.6061141499        5.6197287641
H        -2.0837993966       14.2260386993        6.6395402204
C        -3.1945762536       16.1195650756        4.0319745608
H        -3.9383496628       16.8728026957        3.7956164800
C        -0.4249950732       10.6187068937        1.9190312644
C        -2.3220478493       15.6363938654        3.0537151150
C        -3.0902657752       15.5882930764        5.3205250178
C        -1.4978322035       10.1041539383        1.0023087177
C        -2.3742576056       16.1520829626        1.6476029170
C         3.2886272337       10.1270075643        2.4204141305
F         4.1878896389       11.1580116294        2.3652015675
C        -3.9963840398       16.0648519297        6.4186884565
B         9.5102681657       12.6572596765       14.9930513615
C        10.7236219844       11.6213139727       15.3657994243
C        10.8540771361       11.0808880265       16.6614456676
C        11.7970752368       10.0905268808       16.9636392518
C        12.6519804819        9.5979810556       15.9706893116
C        12.5428858780       10.1244237940       14.6794937111
C        11.5929841232       11.1106088293       14.3857319816
C        11.9406240727        9.6133169555       18.3867118731
C        13.4595465527        9.6614687911       13.5806387593
C         9.1778516103       13.6870940821       16.2133851238
C         7.8840959243       14.1856314903       16.4262661535
C         7.6112972342       15.1271573407       17.4273510419
C         8.6247211188       15.6117930270       18.2503543901
C         9.9279680507       15.1447703294       18.0386444712
C        10.1976173666       14.2102267268       17.0356141315
C         6.2013695424       15.6106937316       17.5829167766
C        11.0073108908       15.6259102325       18.9645054591
F        12.8404225535        8.5874126532       18.4979681709
F        12.3424295883       10.6390663666       19.2272639769
F        14.4277445928        8.8034789086       14.0470269371
F        12.7972255119        9.0011349397       12.5752817474
F        14.0840058888       10.7171212265       12.9521468732
F         6.0128058092       16.3650857349       18.7069254240
F         5.8128765132       16.3737783146       16.4988958739
F         5.3041033080       14.5764233408       17.6117912975
F        10.5562242794       15.5904929868       20.2708857553
F        12.1322141945       14.8650421602       18.9348335517
F        11.4106990946       16.9274411805       18.7188772175
F        10.7697102664        9.1500501008       18.9342598934
H        10.2052870448       11.4439764668       17.4579402392
H        13.3984355509        8.8463374237       16.2028878603
H        11.5344028200       11.4893886952       13.3654464145
H         7.0611850322       13.8263422828       15.8085261082
H         8.4028970736       16.3171565807       19.0440139240
H        11.2211628308       13.8638983175       16.9030986698
F         8.3968344815        9.0819448858       11.2412358884
F         6.2657266574        8.5770182705       11.4650790346
F         8.4808550402       15.6507863342        9.6830408743
F         4.6002142961        8.7913427816       15.9751676493
F         7.6867802605       16.9370911903       11.2494401105
F        13.0227016695       16.3721741843       11.3014196718
F         6.9106186759       14.8733903638       11.0229065170
F         4.8874212317       10.7163700172       17.0132364449
C        11.4265916889       15.1107787218       12.5493149382
F         6.8424802300       10.5732199706       10.7293911847
C        10.4219410871       15.5940369608       11.7140955701
H        10.6493614387       16.3065347774       10.9273498242
F         6.2392726505        9.0082471444       17.3924490905
C         8.1699024913       11.0854800925       13.3464311517
H         8.8367265334       11.4294100824       12.5562788193
C         9.8508374969       13.6690704915       13.7525330339
C         8.2877374836       11.6336139901       14.6361968065
C        11.1458657067       14.1691526168       13.5476169746
H        11.9631220937       13.8145500572       14.1751173555
C         8.8402906016       14.1873732437       12.9134064707
H         7.8148971233       13.8427361983       13.0363783309
F        13.2236733019       16.3724139948       13.4751044643
C         7.4071633224       11.1297873163       15.6097207836
H         7.4609661552       11.5072777675       16.6305324019
C         6.3534000147        9.6155488115       14.0197705277
H         5.6109743226        8.8609741542       13.7831074313
C         9.1186835100       15.1217029336       11.9100705185
C         7.2254007962       10.1003286966       13.0417108625
C         6.4561979603       10.1464602823       15.3085055897
C         8.0456704328       15.6330617372       10.9908839611
C         7.1717060608        9.5817376739       11.6349284059
C        12.8337715207       15.6024061814       12.4019933202
F        13.7335277585       14.5735537382       12.3509719230
C         5.5493719299        9.6682216050       16.4055570491
B        -0.0845434177        4.0757777854       14.9920281914
C         1.1267300234        3.0398234467       15.3634652247
C         1.2547793816        2.4985819540       16.6588989944
C         2.1993200219        1.5106141556       16.9626056914
C         3.0553023403        1.0188342377       15.9700668510
C         2.9462303452        1.5449272248       14.6788584084
C         1.9972974414        2.5312426918       14.3843531761
C         2.3423297605        1.0350791201       18.3859992517
C         3.8622809838        1.0817841089       13.5798369680
C        -0.4159619273        5.0989264072       16.2156184707
C        -1.7086640224        5.6046695211       16.4122224961
C        -1.9893080750        6.5423404161       17.4117347034
C        -0.9859283337        7.0195430155       18.2507948650
C         0.3162730985        6.5450898089       18.0565571549
C         0.5948897828        5.6109980109       17.0546847277
C        -3.3966442889        7.0295481548       17.5572988707
C         1.3902835958        7.0544751281       18.9714537897
F         3.2417005368        0.0093017767       18.4977654259
F         2.7438562394        2.0614774184       19.2267516221
F         4.8275987823        0.2244088608       14.0464246243
F         3.1980604638        0.4238252000       12.5748323088
F         4.4851583491        2.1394418988       12.9524663898
F        -3.5863357439        7.7957507736       18.6598382006
F        -3.7860795465        7.7969468462       16.4834361799
F        -4.2956361376        5.9976191695       17.6080843976
F         0.9551864303        7.0739494817       20.2783415348
F         2.5260288390        6.2960810335       18.9374143307
F         1.7504617171        8.3590489951       18.7124621682
F         1.1711133802        0.5726312580       18.9341758197
H         0.6030547518        2.8590598282       17.4540338475
H         3.8020544337        0.2674856332       16.2021996038
H         1.9407997642        2.9114911986       13.3644931631
H        -2.5239801364        5.2536961219       15.7804112148
H        -1.2135830294        7.7287138022       19.0394375140
H         1.6185231979        5.2611476444       16.9334160781
F        -1.2017223626        0.5046086924       11.2408209280
F        -3.3332160873       -0.0006387848       11.4649603783
F        -1.1179234846        7.0730446606        9.6821495485
F        -5.0003906221        0.2143073720       15.9750744741
F        -1.9119150483        8.3585752566       11.2482257309
F         3.4237475993        7.7951112730       11.3027626359
F        -2.6881857076        6.2957291163       11.0224748913
F        -4.7119396027        2.1391003729       17.0133860000
C         1.8274007606        6.5382686022       12.5543398145
F        -2.7564209976        1.9956409526       10.7295921161
C         0.8242476078        7.0161594751       11.7144827044
H         1.0522206989        7.7279680484       10.9273030401
F        -3.3601349327        0.4309053337       17.3916674956
C        -1.4243546085        2.5027454061       13.3466810193
H        -0.7549763882        2.8437164211       12.5572738353
C         0.2537062826        5.0911185684       13.7534501723
C        -1.3091625793        3.0544178196       14.6351120955
C         1.5468545716        5.5976234857       13.5534326968
H         2.3632941258        5.2473681512       14.1844869679
C        -0.7558277179        5.6056131782       12.9110074444
H        -1.7804194983        5.2597508787       13.0337603616
F         3.6238308181        7.7969742864       13.4778854170
C        -2.1944431100        2.5560014334       15.6072287537
H        -2.1439056740        2.9377913309       16.6265776005
C        -3.2433477335        1.0359064703       14.0202135478
H        -3.9829545330        0.2786009178       13.7833574635
C        -0.4782551929        6.5400931483       11.9073206386
C        -2.3707578999        1.5197470272       13.0420231348
C        -3.1439520981        1.5705571376       15.3078017073
C        -1.5513702281        7.0519734999       10.9890252408
C        -2.4264970258        1.0036115129       11.6347427414
C         3.2354334060        7.0288351988       12.4065290831
F         4.1339888238        5.9970544298       12.3515725018
C        -4.0495382708        1.0934629498       16.4066669815
C         7.8923997700        0.9529557812       14.8879481860
C         8.8055695051        1.4468152934       15.9785367074
C        10.2008779224        1.3879816521       15.9410151804
C        10.9240296534        1.1087171452       14.6599945668
C         8.9701022862        4.6875493631       11.9360743468
C         7.4868186067        4.4008941300       12.2462209094
C         6.7194910677        4.0512390737       10.9592841506
C         6.8424901823        5.1694165700        9.9146962407
C         8.3142920836        5.4864863067        9.6142882223
C         9.1137560554        5.8090062681       10.8911927895
C        11.7185623379        5.2066886757       12.8894262235
C        12.1811807624        4.0042391624       12.0451209122
C        13.6630611272        4.0975966087       11.6580576083
C        14.5516181378        4.2981626251       12.8886518321
C        14.1305779698        5.5589427422       13.6487843840
C        12.6589601110        5.4715023516       14.0846912898
C         9.4740752076        6.5893801382       14.2148441134
H         9.4011346380        3.7607960855       11.5204791566
H        11.7050235514        6.1038497568       12.2487565938
H         7.4079367379        3.5849642158       12.9805111197
H         7.0251138703        5.2860002082       12.7096379566
H         7.1169932899        3.1118795833       10.5452610223
H         5.6634281896        3.8606935237       11.1980086317
H         6.3390719111        6.0742716996       10.2860169279
H         6.3222743051        4.8828116801        8.9886828123
H         8.3879700284        6.3385359499        8.9215045275
H         8.7731731801        4.6228807276        9.1082190702
H        10.1687866145        5.9712193086       10.6344183492
H         8.7471783006        6.7515613130       11.3181036669
H        11.5677122688        3.9188049413       11.1394393604
H        12.0256912683        3.0760963876       12.6162506860
H        13.9522965663        3.1895635529       11.1101379020
H        13.8073462054        4.9390515639       10.9654021149
H        15.6037165156        4.3568912109       12.5804999709
H        14.4763572318        3.4240993586       13.5517474206
H        14.2758610857        6.4392142350       13.0070912459
H        14.7588551230        5.7176241912       14.5376250647
H        12.5402014042        4.6580217856       14.8181168716
H        12.3672760368        6.4005405742       14.5960968990
H        10.0684500466        7.4018957961       13.7728417498
H         8.4280892535        6.7658715022       13.9294589130
P         9.9720350166        4.9551246843       13.4787208871
Rh        9.7273061070        3.2620742609       14.9957031899
P         9.1862234406        4.8600233077       16.4306675549
C         6.4697791660        5.1985357256       15.7682014490
H         6.5705331526        4.2897221493       15.1553248878
H         6.7674503960        6.0409718032       15.1277460772
C         7.4154919577        5.0824516345       16.9805030764
H         7.4078470228        6.0452254350       17.5198803696
C        10.1509259471        4.6769225419       18.0118479848
H         9.7552161648        3.7369910133       18.4331590918
C         6.9450374781        3.9821730563       17.9492993679
H         7.5855472035        3.9514656753       18.8395607837
H         7.0393354166        3.0043168681       17.4573555494
C        11.6585483300        4.4697118606       17.7624772986
H        11.8112305075        3.6715709466       17.0208921203
H        12.0928932829        5.3840008276       17.3298039567
C        12.1687383024        5.2506991016       20.1202658361
H        12.6614695104        6.1725702332       19.7777619047
H        12.6502709856        4.9771451573       21.0707470928
C         5.0035563075        5.3749530611       16.1994988173
H         4.8806067942        6.3451960810       16.7012571703
H         4.3684611037        5.4068227486       15.3015148360
C         9.9217651245        5.8087763619       19.0331510350
H         8.8528678832        5.9428625983       19.2451201106
H        10.2796413962        6.7578811818       18.6111155733
C         4.5631892329        4.2506023938       17.1425469188
H         3.5210710887        4.3905581245       17.4596338502
H         4.5919022778        3.2903418639       16.6074348880
C        10.6745857243        5.5214360172       20.3475886472
H        10.5422206280        6.3751283967       21.0291866841
H        10.2191883132        4.6470075933       20.8382236427
C        12.3820658871        4.1429317511       19.0794906607
H        12.0039517996        3.1863310203       19.4721237167
H        13.4542496435        3.9955156823       18.8880659722
C         5.4804489682        4.1825696184       18.3682013213
H         5.1768914804        3.3624062762       19.0346839156
H         5.3870186844        5.1112725178       18.9507688433
C         9.6251838209        6.5431575990       15.7448598209
H         9.0167857595        7.3165399959       16.2354226173
H        10.6701278011        6.7254900870       16.0317658005
C        18.1131366339        9.5807522965       14.1237272360
C        18.0960011205        9.9247930472       15.5847265776
C        19.2838057478       10.0333075582       16.3146857445
C        20.6187434057        9.5114123907       15.8488121614
C        18.4443101519       13.2669980404       11.8869775572
C        16.9428920197       13.0268026201       12.1520727429
C        16.2069872015       12.6948346039       10.8433490620
C        16.3903192682       13.8086683671        9.8037261744
C        17.8775650314       14.0980084571        9.5559589384
C        18.6413624386       14.3965094487       10.8603654406
C        21.1789915426       13.5597038891       12.9401208097
C        21.6707606747       12.1581755127       12.5293592130
C        23.1145009954       12.2027026285       12.0086798510
C        24.0570785500       12.8276306333       13.0446320865
C        23.5667891546       14.2139328081       13.4807794130
C        22.1169614580       14.1694739853       13.9998138898
C        18.9854348189       15.1329911457       14.1847908175
H        18.8613375925       12.3350398420       11.4667992131
H        21.1945948778       14.2167551481       12.0546041643
H        16.8085439068       12.2203569683       12.8887982991
H        16.4981515448       13.9296406144       12.5980481374
H        16.5938110706       11.7453640935       10.4425253720
H        15.1397783108       12.5309509230       11.0489463891
H        15.8909477266       14.7233629940       10.1556326309
H        15.8986711277       13.5305279163        8.8601007001
H        17.9905768779       14.9530054762        8.8723955137
H        18.3364990571       13.2287738970        9.0594847824
H        19.7055162618       14.5461324441       10.6356014987
H        18.2750550889       15.3392067865       11.2860114836
H        21.0132840395       11.7223315665       11.7684758284
H        21.6146414455       11.4999321956       13.4119288835
H        23.4443177062       11.1875571044       11.7441325366
H        23.1473221124       12.7889716664       11.0777993899
H        25.0732405684       12.8913606788       12.6309391239
H        24.1234788529       12.1690604564       13.9228143622
H        23.6252056820       14.9111550744       12.6321394353
H        24.2192562947       14.6305365766       14.2624997750
H        22.0693440198       13.5620488534       14.9164217012
H        21.7946153144       15.1858474843       14.2667131959
H        19.5816743010       15.9238670929       13.7075586822
H        17.9330706660       15.3288018365       13.9376859562
P        19.3982675324       13.4699565549       13.4704011945
Rh       18.9229949160       11.8018187477       14.9568507885
P        18.7260880136       13.4398572721       16.4320870461
C        16.0024008577       13.8698207630       15.8477256574
H        16.0962894861       12.9967175333       15.1828244482
H        16.2822498730       14.7500480678       15.2510672712
C        16.9773637463       13.6953176506       17.0306337929
H        17.0007359526       14.6381379803       17.6034055074
C        19.7264955743       13.2601549723       17.9869574487
H        19.3257467382       12.3340713778       18.4314680893
C        16.5368948516       12.5588523048       17.9724468104
H        17.1826685666       12.5279711915       18.8590809511
H        16.6655101989       11.5946282791       17.4586188236
C        21.2215092281       13.0202016746       17.7018953504
H        21.3401909602       12.2188446952       16.9582703263
H        21.6651178802       13.9270145067       17.2625897518
C        21.7960358472       13.7910155429       20.0496917743
H        22.3041096483       14.7013238606       19.6988145805
H        22.2881737717       13.5050917298       20.9911336081
C        14.5456077459       14.0079394278       16.3205859402
H        14.4254810876       14.9425217266       16.8867847585
H        13.8898153485       14.0925830109       15.4409432879
C        19.5449461650       14.4032179500       19.0048055228
H        18.4839801532       14.5655945386       19.2359588125
H        19.9196147315       15.3408131770       18.5720866310
C        14.1382835816       12.8211944956       17.1993014086
H        13.0980665794       12.9206474250       17.5364322993
H        14.1800657761       11.8948714243       16.6081101890
C        20.3135556732       14.0989038928       20.3058996571
H        20.2151474120       14.9555020908       20.9898443741
H        19.8451741589       13.2363812698       20.8057446875
C        21.9664173878       12.6791563011       19.0041187395
H        21.5783791289       11.7293274561       19.4034728208
H        23.0317134990       12.5121238004       18.7918264869
C        15.0712130221       12.7053626742       18.4091067624
H        14.7909547662       11.8468531436       19.0359933545
H        14.9644924529       13.6011044747       19.0391949402
C        19.1943003449       15.1004236882       15.7090407162
H        18.6263166499       15.8954648198       16.2132653495
H        20.2539528577       15.2558200268       15.9541733739
C         8.5679068363       16.1604741965        4.1411068897
C         8.5466645735       15.8168052681        5.6019951906
C         9.7320993275       15.7080666464        6.3356026847
C        11.0685068457       16.2317192336        5.8759546632
C         8.8970510644       12.4761109870        1.8996915017
C         7.3953317866       12.7166885877        2.1626531148
C         6.6612064992       13.0476397274        0.8526670638
C         6.8468765435       11.9338891667       -0.1866499521
C         8.3346311679       11.6447944086       -0.4316074879
C         9.0947205569       11.3451386638        0.8746349123
C        11.6304102511       12.1891015996        2.9525754464
C        12.1232289489       13.5936481713        2.5533485301
C        13.5648171251       13.5503182332        2.0265247448
C        14.5101064593       12.9132472688        3.0526932278
C        14.0175493361       11.5249908015        3.4802706919
C        12.5697948485       11.5694410188        4.0051041758
C         9.4392164859       10.6103344952        4.1957821475
H         9.3147711245       13.4072427322        1.4782626258
H        11.6449296780       11.5398892493        2.0612957797
H         7.2599586565       13.5238678134        2.8983668456
H         6.9499788531       11.8143012318        2.6089225012
H         7.0478671296       13.9974284536        0.4524917403
H         5.5935683846       13.2106485969        1.0566657859
H         6.3472071673       11.0189560843        0.1643180011
H         6.3566882361       12.2118634298       -1.1310896303
H         8.4492211194       10.7903281302       -1.1155895927
H         8.7950285516       12.5144903753       -0.9262247156
H        10.1590916623       11.1931436817        0.6524131586
H         8.7253218360       10.4032919819        1.2998225769
H        11.4638433252       14.0382791027        1.7990728103
H        12.0719002335       14.2433037053        3.4424974933
H        13.8963967761       14.5670396406        1.7703544448
H        13.5923347143       12.9729516427        1.0899046692
H        15.5241113199       12.8496292121        2.6336448966
H        14.5829026899       13.5642340268        3.9359939453
H        14.0703606963       10.8340247714        2.6260739023
H        14.6721216294       11.1009212655        4.2561797734
H        12.5270459026       12.1704785260        4.9261606385
H        12.2457650771       10.5520490815        4.2659863894
H        10.0352818839        9.8205741991        3.7165173922
H         8.3866942889       10.4143459207        3.9494363513
P         9.8497795929       12.2749310280        3.4839582201
Rh        9.3737312014       13.9405592563        4.9727675489
P         9.1795219049       12.2992947957        6.4456126549
C         6.4565277378       11.8635408268        5.8615513694
H         6.5491356527       12.7356069062        5.1950965146
H         6.7370209816       10.9823951136        5.2665716203
C         7.4314270180       12.0411438301        7.0441017559
H         7.4563135936       11.0989735870        7.6178821890
C        10.1803089575       12.4776066956        8.0004001227
H         9.7796833927       13.4033943650        8.4456141172
C         6.9898279798       13.1782541068        7.9845473262
H         7.6356196230       13.2111807620        8.8710731131
H         7.1173051311       14.1419352465        7.4694453456
C        11.6752578907       12.7176844523        7.7151000378
H        11.7938552724       13.5191450890        6.9715608617
H        12.1189473994       11.8109898306        7.2756166224
C        12.2497791967       11.9470887997       10.0632069144
H        12.7582709118       11.0369151283        9.7127357507
H        12.7416168074       12.2334127816       11.0046953599
C         4.9999948175       11.7244845308        6.3350504063
H         4.8811871944       10.7906058496        6.9027085557
H         4.3442356323       11.6374298607        5.4556397488
C         9.9991091227       11.3340843132        9.0178118643
H         8.9382009943       11.1711963091        9.2488555042
H        10.3741731409       10.3966764189        8.5849264928
C         4.5917667823       12.9123235576        7.2118159186
H         3.5517940263       12.8125339048        7.5495224126
H         4.6326706585       13.8377391417        6.6191652467
C        10.7673265481       11.6386242001       10.3190964658
H        10.6690038797       10.7820184822       11.0030569107
H        10.2984122824       12.5009668999       10.8187911427
C        12.4202733740       13.0586760372        9.0173078198
H        12.0322309102       14.0086018268        9.4163889563
H        13.4856006143       13.2255016463        8.8049805431
C         5.5244495591       13.0308728340        8.4215009089
H         5.2435126523       13.8900912976        9.0470865853
H         5.4185389091       12.1359426371        9.0528653176
C         9.6495418322       10.6405297174        5.7198038055
H         9.0829414592        9.8439755347        6.2232232349
H        10.7096296012       10.4861358321        5.9636755698
C        18.2444045088        7.5766160884        4.0873409560
C        18.1936239003        7.2463668290        5.5498682565
C        19.3626508497        7.1343563537        6.3076487676
C        20.7117031225        7.6468276180        5.8743135133
C        18.5176055760        3.8938545364        1.8773516599
C        17.0184024588        4.1372674732        2.1521095920
C        16.2725002133        4.4638712855        0.8476941872
C        16.4481493339        3.3457591262       -0.1886497127
C        17.9334975479        3.0553565268       -0.4459930496
C        18.7058833005        2.7601566093        0.8539202470
C        21.2602984102        3.6073288695        2.9118847527
C        21.7473155032        5.0100103317        2.4995415420
C        23.1884156682        4.9680230384        1.9720966358
C        24.1372676391        4.3411203253        3.0011135737
C        23.6505057538        2.9540980098        3.4388775903
C        22.2041965273        2.9984291784        3.9669199644
C        19.0812620705        2.0282758749        4.1696011645
H        18.9332457470        4.8235922069        1.4507771462
H        21.2727365315        2.9507750478        2.0259476485
H        16.8909152221        4.9475512421        2.8858606444
H        16.5760376166        3.2370725376        2.6056820691
H        16.6561856562        5.4116436789        0.4399172668
H        15.2067780192        4.6283989432        1.0610306388
H        15.9512749273        2.4325518055        0.1706332038
H        15.9496590353        3.6199956271       -1.1298296759
H        18.0418245806        2.1986705726       -1.1281748657
H        18.3892206422        3.9233737573       -0.9476860626
H        19.7682213104        2.6082767979        0.6227585544
H        18.3409921933        1.8194156715        1.2853115743
H        21.0853137580        5.4453164089        1.7419408202
H        21.6938736218        5.6677982986        3.3826950988
H        23.5161193409        5.9839895648        1.7085204618
H        23.2169569909        4.3846087709        1.0393673403
H        25.1504787676        4.2787446701        2.5804397685
H        24.2093042303        4.9979820044        3.8801231001
H        23.7029767951        2.2575490360        2.5892204040
H        24.3083328450        2.5370139593        4.2159464759
H        22.1616268635        3.6061460883        4.8837439422
H        21.8836666196        1.9821756464        4.2360700002
H        19.6805974517        1.2409947522        3.6903589793
H        18.0294572463        1.8268970121        3.9250937929
P        19.4837321906        3.6933258679        3.4537383735
Rh       19.0185234316        5.3617386263        4.9397713189
P        18.8194490518        3.7204992624        6.4135603063
C        16.1080480363        3.2229961328        5.8154988605
H        16.2009288429        4.0611006065        5.1071930766
H        16.4003386755        2.3140040185        5.2703104716
C        17.0679992778        3.4668200755        6.9980281177
H        17.0934732327        2.5542482366        7.6176206529
C        19.8095035702        3.9054768458        7.9751991757
H        19.4115690241        4.8375590667        8.4095779145
C        16.6088653165        4.6475839603        7.8728913075
H        17.2421450453        4.7288868954        8.7654262651
H        16.7418237807        5.5822364843        7.3088334175
C        21.3072085100        4.1351936558        7.6947805327
H        21.4331361059        4.9306316771        6.9460241368
H        21.7477065404        3.2230653128        7.2634208015
C        21.8700416884        3.3765071406       10.0490453652
H        22.3721891956        2.4607754673        9.7038831773
H        22.3635488775        3.6643791877       10.9892150885
C        14.6474541421        3.0973081982        6.2799768286
H        14.5307489873        2.1957443999        6.8979057400
H        14.0023739115        2.9539416359        5.4003212636
C        19.6161016590        2.7727893124        9.0028142225
H        18.5529951659        2.6231458319        9.2336620021
H        19.9824194486        1.8276416931        8.5791318163
C        14.2196911519        4.3277181966        7.0853208736
H        13.1776919161        4.2352394651        7.4202324181
H        14.2564874480        5.2198133145        6.4433577157
C        20.3846061680        3.0806425852       10.3037184685
H        20.2785695069        2.2288666295       10.9926893340
H        19.9208923805        3.9492097417       10.7973338193
C        22.0493054515        4.4810203927        8.9973054814
H        21.6647632213        5.4353183167        9.3893728160
H        23.1161137436        4.6414475321        8.7877006576
C        15.1390829968        4.5199680807        8.2953446126
H        14.8477776109        5.4118333188        8.8676086592
H        15.0275493383        3.6627237592        8.9753819274
C        19.2942020066        2.0616735921        5.6933940111
H        18.7299468673        1.2651106015        6.1995601616
H        20.3549320219        1.9103828367        5.9361761951
H         9.6327067703       15.5325380690        7.4072487771
H         7.5818974380       15.7549120361        6.1025322452
H         7.5640451612       16.3019912349        3.7278645698
H         9.0172781381       15.3144269412        3.5037099460
H         9.2031440366       17.0234745366        3.8981656309
H        11.1306029251       17.3170853997        6.0649341633
H        11.2463351782       16.0889429462        4.8014845719
H        11.8929763786       15.7599123288        6.4216086585
H         8.3528087862        1.5684787241       16.9625497105
H        10.7756716410        1.4502883423       16.8633153917
H         6.9132700706        1.4422865245       14.9409472973
H         7.7230378302       -0.1314431291       14.9983272501
H         8.2938210656        1.1111325226       13.8774015595
H        12.0045743451        1.0111637675       14.7979017084
H        10.8145952408        1.9727232959       13.9025956242
H        10.5313865398        0.2426935380       14.1093272261
H        17.2184914829        7.1942652692        6.0310555316
H        19.2391578558        6.9641009673        7.3777808181
H        21.5207005913        7.1713158180        6.4392236973
H        20.9114454594        7.4982680889        4.8046055694
H        20.7778793922        8.7323237545        6.0607690353
H        17.2494963084        7.7251593929        3.6556745627
H        18.8937263451        8.4295897735        3.8470664596
H        18.6945628854        6.7194554189        3.4633282727
H        17.1327266014        9.9854592491       16.0882846141
H        19.1884996045       10.2075201413       17.3868749222
H        20.6819984900        8.4253681339       16.0335922253
H        20.7926323270        9.6575136944       14.7740806245
H        21.4449158426        9.9817975078       16.3929816114
H        17.1079766371        9.4409992359       13.7130700968
H        18.7457361959        8.7159955044       13.8799027230
H        18.5631236993       10.4252628121       13.4856466331
632
SCF Energy = -4406.9636928471 (a.u.)
Lowest Frequencies = i55.151899  (i9.959773)  13.970368 (cm^-1)
TS(III'-III'') / [1-(2-butene)][BArF4]
B         9.5705440875        4.5153195671        5.0331953431
C        10.7821512407        5.5536263329        5.4007694074
C        10.9188758407        6.0996182365        6.6923293463
C        11.8684247882        7.0861153893        6.9898470106
C        12.7225093577        7.5720149780        5.9941845256
C        12.6041296663        7.0416900467        4.7033906913
C        11.6497905253        6.0586209863        4.4163801635
C        12.0025570797        7.5510305785        8.4177202819
C        13.5157498828        7.4966414838        3.5964318410
C         9.2254308542        3.4985463458        6.2607577175
C         7.9365292993        2.9766368808        6.4486750639
C         7.6571882114        2.0448572614        7.4566060974
C         8.6558282039        1.5941324224        8.3150428050
C         9.9529704594        2.0811801279        8.1244559928
C        10.2325344937        3.0039659689        7.1135807335
C         6.2528814425        1.5460742791        7.5980428874
C        11.0340816758        1.5714111620        9.0261034544
F        12.8965508967        8.5710053880        8.5795849334
F        12.3951837150        6.5110717776        9.2442633985
F        14.4838835596        8.3534998844        4.0601922031
F        12.8513829845        8.1533062393        2.5898734677
F        14.1376592794        6.4385656791        2.9672690470
F         6.0657127514        0.7897703226        8.7203693718
F         5.8690338246        0.7814432507        6.5117454855
F         5.3547010089        2.5788543490        7.6255742832
F        10.6154722245        1.5713570980       10.3498865987
F        12.1835873625        2.2942429548        8.9553915973
F        11.3971270561        0.2787058907        8.7330093676
F        10.8215611573        8.0051546290        8.9490840374
H        10.2707872044        5.7428516027        7.4916561391
H        13.4723945935        8.3213991491        6.2229881300
H        11.5867413123        5.6765778683        3.3975884600
H         7.1223004710        3.3092212575        5.8050831105
H         8.4293142307        0.8925165916        9.1108813970
H        11.2549787039        3.3574810390        6.9950255983
F         8.4506966293        8.0725064939        1.2549143143
F         6.3198578762        8.5776206607        1.4788506649
F         8.5386457538        1.4999751059       -0.2341196532
F         4.6531486774        8.3643468515        5.9887402840
F         7.7383749369        0.2203922764        1.3350788319
F        13.0740184147        0.7842314544        1.3212393108
F         6.9600520627        2.2835031716        1.0439571562
F         4.9409865537        6.4387518042        7.0270499719
C        11.4795219552        2.0451092188        2.5908308984
F         6.8966649356        6.5817580917        0.7436393660
C        10.4654043600        1.5628910188        1.7683531259
H        10.6830367033        0.8476337880        0.9811290728
F         6.2928774388        8.1470139373        7.4058647350
C         8.2297729602        6.0756189024        3.3678759304
H         8.8998578422        5.7315643750        2.5807541959
C         9.9147477500        3.4944493473        3.8030423545
C         8.3469253900        5.5316380573        4.6597544923
C        11.2076084022        2.9901852041        3.5905259342
H        12.0299724376        3.3458460642        4.2109188179
C         8.8952290229        2.9778802401        2.9743312140
H         7.8715948178        3.3262853704        3.1025060287
F        13.2773502041        0.7800125044        3.4953950905
C         7.4587862330        6.0303172004        5.6277776016
H         7.5073541838        5.6510212101        6.6477856143
C         6.4047628214        7.5386473875        4.0329605989
H         5.6600760283        8.2901331602        3.7938049037
C         9.1647350190        2.0406782643        1.9749142992
C         7.2801829541        7.0547224914        3.0573202207
C         6.5068995865        7.0102862598        5.3225256470
C         8.0940534694        1.5269443494        1.0585857493
C         7.2256636124        7.5716215260        1.6492776768
C        12.8862731158        1.5507074905        2.4268067023
F        13.7863079106        2.5805051575        2.3659751750
C         5.6008612847        7.4875250763        6.4190107703
B        -0.0347255005       13.0867473869        5.0009849741
C         1.1764725151       14.1212656264        5.3756278618
C         1.3034324332       14.6632773536        6.6708777125
C         2.2524360093       15.6462991188        6.9762319078
C         3.1120550447       16.1346254735        5.9851833624
C         3.0013462114       15.6102847270        4.6934161382
C         2.0496768123       14.6270847003        4.3977752902
C         2.3960937806       16.1205512704        8.3999064568
C         3.9163212524       16.0723370295        3.5938166560
C        -0.3710612723       12.0679842114        6.2233066135
C        -1.6613280336       11.5547850259        6.4179487820
C        -1.9380066466       10.6221626468        7.4240742375
C        -0.9343011388       10.1616878692        8.2717273298
C         0.3644576729       10.6451328926        8.0757299741
C         0.6409664796       11.5697830544        7.0676064745
C        -3.3426093370       10.1280552018        7.5704403261
C         1.4401008288       10.1443758822        8.9891706713
F         3.2958051907       17.1459384882        8.5112833866
F         2.7975264441       15.0941277633        9.2402102605
F         4.8837958760       16.9300427844        4.0602551822
F         3.2526552021       16.7310434728        2.5888279035
F         4.5396396853       15.0155123185        2.9656505615
F        -3.5316915599        9.3600212755        8.6722133302
F        -3.7315755225        9.3588387074        6.4969158432
F        -4.2429767774       11.1580881156        7.6216089857
F         1.0081453685       10.1490044278       10.2963300339
F         2.5866827713       10.8715426817        8.9498566321
F         1.8018711666        8.8481558230        8.7272820401
F         1.2248214334       16.5825816034        8.9477447239
H         0.6482642193       14.3068538279        7.4652129116
H         3.8613922369       16.8828750723        6.2188366321
H         1.9923092736       14.2472047571        3.3778737493
H        -2.4775564586       11.8949530289        5.7808138113
H        -1.1583682560        9.4577506813        9.0663491977
H         1.6632783836       11.9235660895        6.9461853401
F        -1.1484275734       16.6499284977        1.2546142546
F        -3.2796873500       17.1561813715        1.4778676330
F        -1.0640238864       10.0822972879       -0.3038216725
F        -4.9453952293       16.9415007438        5.9885321757
F        -1.8578683438        8.7968941631        1.2619097597
F         3.4772093956        9.3602731476        1.3177387354
F        -2.6347219996       10.8597235563        1.0362152575
F        -4.6575974833       15.0162517629        7.0266199561
C         1.8799543425       10.6183732392        2.5706863073
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C        -1.2573728680       14.1062531702        4.6465211366
C         1.5988192751       11.5614799406        3.5676708817
H         2.4147512714       11.9127680334        4.1990175103
C        -0.7042454494       11.5556617624        2.9218872227
H        -1.7284485258       11.9053287215        3.0405166869
F         3.6776973164        9.3581720071        3.4924380004
C        -2.1379510951       14.6070660741        5.6212017292
H        -2.0830047865       14.2286399914        6.6416919976
C        -3.1959973919       16.1181721248        4.0318976289
H        -3.9404166860       16.8706839174        3.7953762784
C        -0.4260738435       10.6172975969        1.9220139678
C        -2.3233236583       15.6349340785        3.0537500582
C        -3.0907160419       15.5883191435        5.3209270410
C        -1.4981255360       10.1039237184        1.0033338013
C        -2.3747915793       16.1513538198        1.6475377952
C         3.2880424841       10.1266115543        2.4216515532
F         4.1873655668       11.1578020157        2.3653994510
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B         9.5076758338       12.6553788713       14.9849830495
C        10.7200421732       11.6189921024       15.3634453225
C        10.8489451033       11.0778303384       16.6593853771
C        11.7968556480       10.0926106405       16.9636853570
C        12.6554178676        9.6032636611       15.9722752007
C        12.5442948650       10.1267047559       14.6800346302
C        11.5923501495       11.1105417675       14.3850420092
C        11.9411699821        9.6156803968       18.3870785650
C        13.4608709642        9.6637146233       13.5811873307
C         9.1710432965       13.6795713384       16.2046453511
C         7.8801084566       14.1893819266       16.4124824092
C         7.6005312005       15.0883574571       17.4491113704
C         8.6040765816       15.5041818629       18.3222092551
C         9.9141883248       15.0717738854       18.0782466266
C        10.1897587051       14.1847337285       17.0364156508
C         6.1989058155       15.6032872928       17.5868883499
C        11.0052182565       15.5705604605       18.9783153961
F        12.8402546102        8.5885514057       18.4978577628
F        12.3424195052       10.6400125828       19.2275670187
F        14.4280475224        8.8056443604       14.0470325535
F        12.7973157864        9.0022567731       12.5754821015
F        14.0842200392       10.7179059084       12.9518627426
F         6.0131219551       16.3643184018       18.7071016410
F         5.8178881707       16.3714459577       16.5005992517
F         5.2969758507       14.5747757594       17.6130833681
F        10.5584226763       15.5850231609       20.2814712175
F        12.1271853577       14.7969375717       18.9386440484
F        11.4132851947       16.8623183410       18.7130803389
F        10.7699072261        9.1515701139       18.9343726408
H        10.1964874812       11.4370717062       17.4548985366
H        13.4052567816        8.8554972584       16.2064013274
H        11.5349411682       11.4904604878       13.3651963929
H         7.0649298777       13.8693469095       15.7636023161
H         8.3739825628       16.1544479149       19.1607518362
H        11.2169057242       13.8583993481       16.8835687426
F         8.3959797663        9.0843518026       11.2418360872
F         6.2651817737        8.5768732965       11.4647824187
F         8.4798947229       15.6509226907        9.6771720407
F         4.5997881477        8.7921469292       15.9752138136
F         7.6885332320       16.9315492256       11.2496430318
F        13.0230208976       16.3724920195       11.3007664359
F         6.9096724802       14.8725984843       11.0219850850
F         4.8871824350       10.7169019884       17.0133997381
C        11.4285537826       15.1026083041       12.5403312228
F         6.8418952922       10.5734825104       10.7292500309
C        10.4303315431       15.5617206820       11.6850780041
H        10.6599572224       16.2674441255       10.8931002703
F         6.2390924888        9.0085665563       17.3923759956
C         8.1674622421       11.0827752757       13.3445582565
H         8.8345903567       11.4251367537       12.5542136570
C         9.8512553107       13.6626397185       13.7434784316
C         8.2859073794       11.6322101564       14.6328339794
C        11.1439293846       14.1727032321       13.5485020926
H        11.9564899722       13.8350256652       14.1914100961
C         8.8432393725       14.1727305787       12.8966513570
H         7.8165565778       13.8335438172       13.0231746176
F        13.2209301873       16.3729704706       13.4751957763
C         7.4056711434       11.1310527581       15.6080731561
H         7.4591827698       11.5117361405       16.6279010139
C         6.3499945563        9.6157457285       14.0203173666
H         5.6064634704        8.8617982678       13.7851545328
C         9.1251974164       15.0975319713       11.8861903719
C         7.2212026929       10.0997595453       13.0413782960
C         6.4549308995       10.1471042877       15.3087237607
C         8.0476080762       15.6262244786       10.9839872103
C         7.1683349344        9.5830602516       11.6353044837
C        12.8341786324       15.6032709498       12.4025126020
F        13.7346397109       14.5738589429       12.3510607856
C         5.5486597498        9.6692756566       16.4062314784
B        -0.0901414970        4.0811885611       14.9999275094
C         1.1256643147        3.0466864035       15.3693269127
C         1.2558686567        2.5053821805       16.6645604076
C         2.2020386634        1.5179648524       16.9659841527
C         3.0586181462        1.0278691808       15.9732073249
C         2.9473496091        1.5519912596       14.6812979275
C         1.9962730216        2.5378638397       14.3891131236
C         2.3433703034        1.0380690051       18.3876854618
C         3.8632866017        1.0849628857       13.5815631905
C        -0.4252339696        5.1023149885       16.2262138091
C        -1.7170640074        5.6092627561       16.4294231887
C        -1.9926540633        6.5465847710       17.4325323506
C        -0.9858746200        7.0219617038       18.2671358229
C         0.3143690816        6.5465275201       18.0651119083
C         0.5885671116        5.6130011888       17.0624348516
C        -3.3989635165        7.0343010406       17.5829531287
C         1.3905444857        7.0550728556       18.9753457641
F         3.2414027742        0.0104430796       18.4979175561
F         2.7440870057        2.0631482594       19.2282904181
F         4.8284268318        0.2264638681       14.0470402281
F         3.1979528049        0.4247762073       12.5761725865
F         4.4853029936        2.1405817159       12.9519717946
F        -3.5871025153        7.7885145849       18.7069297636
F        -3.7851084281        7.7979877362       16.4974431925
F        -4.2958123837        6.0001470386       17.6112821653
F         0.9560152466        7.0742335886       20.2815189906
F         2.5259609753        6.2965629013       18.9378657534
F         1.7503854223        8.3594471046       18.7129510449
F         1.1711917192        0.5736030996       18.9341283894
H         0.6041048383        2.8635739868       17.4610848461
H         3.8064509302        0.2776702575       16.2057626337
H         1.9371603944        2.9178692281       13.3694344620
H        -2.5362527255        5.2602256769       15.8013881041
H        -1.2088720684        7.7298994954       19.0580322984
H         1.6114536053        5.2621204980       16.9382080137
F        -1.2025874899        0.5053034368       11.2415354730
F        -3.3332970194        0.0000999647       11.4652829141
F        -1.1180191361        7.0734535790        9.6830633246
F        -5.0011011286        0.2148926278       15.9750149852
F        -1.9123045663        8.3592795391       11.2482732669
F         3.4231052480        7.7951496874       11.3041070276
F        -2.6884308597        6.2958927446       11.0226250581
F        -4.7127565845        2.1399696847       17.0138474820
C         1.8249648869        6.5411551071       12.5597915502
F        -2.7570235016        1.9963441977       10.7293607906
C         0.8226589504        7.0164259211       11.7174188706
H         1.0515904596        7.7253586067       10.9279418818
F        -3.3603775800        0.4313437481       17.3915474410
C        -1.4279535955        2.5085540158       13.3499784529
H        -0.7575112053        2.8503355726       12.5621344065
C         0.2481765147        5.0990523864       13.7626404128
C        -1.3126265378        3.0582245579       14.6395792500
C         1.5417568188        5.6055929967       13.5632729149
H         2.3562990664        5.2583153057       14.1983732310
C        -0.7603221390        5.6107819563       12.9170891841
H        -1.7852844427        5.2648358812       13.0381477177
F         3.6239699719        7.7976707076       13.4791357444
C        -2.1966456739        2.5569589349       15.6113130781
H        -2.1447459648        2.9350322172       16.6321515432
C        -3.2487668558        1.0429504167       14.0201731178
H        -3.9906912363        0.2877843087       13.7838115397
C        -0.4803677674        6.5420351753       11.9108475926
C        -2.3743604686        1.5255212560       13.0428692362
C        -3.1471007132        1.5734512790       15.3090964755
C        -1.5517627371        7.0527099416       10.9903042411
C        -2.4273756173        1.0053474464       11.6362718700
C         3.2338011511        7.0296088232       12.4088715817
F         4.1328038133        5.9978534524       12.3518142000
C        -4.0531790257        1.0927451629       16.4061135796
C         8.8020026312        1.3317864795       16.9000583218
C        10.0797209905        1.6233985625       16.1948089773
C        10.2949104199        1.3799728486       14.8594618502
C         9.2925898583        0.7827892936       13.9080923191
C         8.9201518686        4.9280389675       11.8567545954
C         7.4314266171        4.6979260636       12.1811037610
C         6.6680483796        4.2421653711       10.9266939397
C         6.8100565515        5.2651068287        9.7925097778
C         8.2877222593        5.5268188076        9.4699847275
C         9.1025614808        5.9357882550       10.7106852295
C        11.6916041486        5.4525237376       12.7769249324
C        12.0879562692        4.1054167865       12.1292301741
C        13.5798425265        4.0287353916       11.7826777685
C        14.4583367163        4.3479945443       12.9959224606
C        14.1120567975        5.7334756886       13.5507102491
C        12.6295108600        5.8133193880       13.9498031489
C         9.4573845887        6.9037502187       14.1497993161
H         9.3315258898        3.9558979857       11.5307829755
H        11.7383535271        6.2523360788       12.0203786333
H         7.3364443658        3.9545912150       12.9852060765
H         6.9815948566        5.6301651363       12.5545863742
H         7.0580124400        3.2661678045       10.5987503778
H         5.6092237772        4.0835974425       11.1756506354
H         6.3216734560        6.2061991626       10.0849977212
H         6.2874673377        4.9106302804        8.8921647264
H         8.3769334337        6.3209918093        8.7135610863
H         8.7258056892        4.6169490148        9.0321001590
H        10.1621417988        6.0268482906       10.4434795741
H         8.7778630465        6.9259241798       11.0477643123
H        11.4881298911        3.9218202946       11.2287635717
H        11.8464320377        3.2902087415       12.8389628140
H        13.8112592943        3.0330756920       11.3773422604
H        13.7971316962        4.7487160662       10.9802093271
H        15.5182917689        4.2921936132       12.7121759033
H        14.3110944511        3.5869766602       13.7769011505
H        14.3354436731        6.4968738454       12.7925408556
H        14.7319725720        5.9774848949       14.4260292690
H        12.4400410445        5.1135464337       14.7787013612
H        12.3945652177        6.8199399386       14.3231714050
H        10.0408141712        7.7318473850       13.7222689359
H         8.4026848437        7.0912888823       13.9077311894
P         9.9353765134        5.2933281493       13.3696593819
Rh        9.8580683946        3.5597330326       14.7174479508
P         9.2786711189        5.0399334887       16.2682812572
C         6.5228314501        5.1880606506       15.6080351868
H         6.6399177980        4.2228757864       15.0928320836
H         6.8007937222        5.9613423536       14.8792221568
C         7.4798705941        5.2073422952       16.8144637750
H         7.4507638999        6.2123766456       17.2702818429
C        10.2115073119        4.8309356451       17.8659514457
H         9.8258741393        3.8709194465       18.2481377700
C         7.0181143322        4.1896383520       17.8732871502
H         7.6732949095        4.2030867945       18.7538737209
H         7.0724235223        3.1817745984       17.4463401486
C        11.7305725213        4.6661246040       17.6655674158
H        11.9343252723        3.9205587214       16.8833559691
H        12.1625620090        5.6150299823       17.3126196336
C        12.1292200851        5.3107309846       20.0869835883
H        12.6359379562        6.2509605658       19.8248088445
H        12.5647316329        4.9808766274       21.0420888312
C         5.0533477031        5.3806773500       16.0234663386
H         4.9110113018        6.3980994133       16.4124682356
H         4.4206090075        5.2974378859       15.1274230516
C         9.9334969879        5.9198110453       18.9229042301
H         8.8576360755        6.0551939487       19.0927268070
H        10.3158883296        6.8807285183       18.5568033295
C         4.6277280577        4.3649206452       17.0890605653
H         3.5882038558        4.5373824549       17.3993500634
H         4.6550118876        3.3502042871       16.6657864877
C        10.6250317153        5.5704187663       20.2567859718
H        10.4604583234        6.3923333238       20.9696302501
H        10.1469573293        4.6756535351       20.6861559377
C        12.3984269608        4.2674183774       18.9932325177
H        12.0117615846        3.2865460396       19.3113668625
H        13.4792274647        4.1384958300       18.8434515118
C         5.5622099040        4.4392650024       18.3011127728
H         5.2764228786        3.6948631263       19.0589902025
H         5.4738032863        5.4249831898       18.7809545646
C         9.6655288109        6.7762399369       15.6704908508
H         9.0668350350        7.5121544126       16.2257032223
H        10.7189966057        6.9547868899       15.9264409548
C        18.1071901545        9.5813787007       14.1576272503
C        18.1008216226        9.9325484706       15.6173255437
C        19.2939506523       10.0450609853       16.3379229927
C        20.6256146368        9.5216975537       15.8645162851
C        18.4446931324       13.2649297647       11.9006452069
C        16.9437143455       13.0228613933       12.1661214650
C        16.2077068187       12.6899747368       10.8576874109
C        16.3895359436       13.8035842209        9.8175177027
C        17.8764416171       14.0948920524        9.5696622933
C        18.6390234547       14.3953994741       10.8743709177
C        21.1795908835       13.5443659010       12.9490647857
C        21.6695580183       12.1329397672       12.5709465506
C        23.1073274923       12.1683572522       12.0337605385
C        24.0593461231       12.8220668981       13.0431631680
C        23.5683996445       14.2156803565       13.4551292048
C        22.1236852364       14.1781247751       13.9889034054
C        18.9951783992       15.1362818389       14.1917433438
H        18.8632250983       12.3338797716       11.4797196169
H        21.1934687110       14.1795410786       12.0476894911
H        16.8104505826       12.2162606671       12.9028670184
H        16.4981485596       13.9251442853       12.6124387980
H        16.5950423774       11.7405643976       10.4571385159
H        15.1407366976       12.5256012909       11.0638678219
H        15.8890862213       14.7177003356       10.1694281937
H        15.8980742616       13.5245772340        8.8739964594
H        17.9883633451       14.9495937249        8.8855315832
H        18.3369210218       13.2260456628        9.0738800789
H        19.7027742563       14.5487350162       10.6499378340
H        18.2694926714       15.3367858184       11.3001964203
H        21.0051684005       11.6742723846       11.8293937082
H        21.6246829206       11.4996664204       13.4720856563
H        23.4376147520       11.1478374765       11.7912242272
H        23.1277941729       12.7309571628       11.0881639038
H        25.0697472782       12.8817141404       12.6149149623
H        24.1402889390       12.1837543558       13.9349967061
H        23.6160397828       14.8956753311       12.5918710396
H        24.2274630098       14.6506076084       14.2211335197
H        22.0858119623       13.5892199961       14.9180171938
H        21.8013489555       15.1989544508       14.2378368320
H        19.5918878051       15.9235158788       13.7091175331
H        17.9424013533       15.3343239443       13.9481224087
P        19.3995228949       13.4688419279       13.4834253421
Rh       18.9228230404       11.8079336247       14.9769338208
P        18.7360987114       13.4531038805       16.4461751973
C        16.0147269939       13.8808247434       15.8599722471
H        16.1170376393       13.0071668047       15.1969309407
H        16.2905408069       14.7620702002       15.2629231352
C        16.9883723551       13.7152286739       17.0454852727
H        17.0118770295       14.6622806551       17.6111408066
C        19.7384474229       13.2755973641       17.9996217353
H        19.3360579969       12.3520143884       18.4478200613
C        16.5501905709       12.5846384916       17.9958906588
H        17.1914818097       12.5675831510       18.8862859969
H        16.6893340871       11.6163968209       17.4925220773
C        21.2325947672       13.0317649119       17.7135948360
H        21.3491127425       12.2282758916       16.9719560232
H        21.6777073994       13.9365754928       17.2716866927
C        21.8106991292       13.8080975536       20.0587780587
H        22.3211913251       14.7159611502       19.7052029206
H        22.3023525026       13.5236496047       21.0008134151
C        14.5550769129       14.0087146608       16.3262820289
H        14.4241600007       14.9438897130       16.8890786736
H        13.9028968832       14.0854785811       15.4432188653
C        19.5609739926       14.4228206995       19.0133207561
H        18.5007435907       14.5900334356       19.2441366246
H        19.9388200446       15.3571510345       18.5768121444
C        14.1545599790       12.8209749879       17.2067034735
H        13.1109349949       12.9097668402       17.5357246068
H        14.2119359319       11.8924812662       16.6200740976
C        20.3292920165       14.1209377763       20.3150151113
H        20.2338421955       14.9802256902       20.9959988750
H        19.8589259789       13.2613431262       20.8181759122
C        21.9775839105       12.6927782705       19.0163463874
H        21.5877026826       11.7450440594       19.4188040037
H        23.0423298009       12.5228833589       18.8037807800
C        15.0807852062       12.7222907928       18.4231830170
H        14.8047535218       11.8659947967       19.0549624285
H        14.9619462401       13.6216405213       19.0457991685
C        19.2101484061       15.1085836905       15.7152387736
H        18.6485332245       15.9086629382       16.2186641708
H        20.2717091999       15.2592561073       15.9551921777
C         8.5372723396       16.1222293975        4.1895767905
C         8.5303535065       15.7840325534        5.6519395434
C         9.7228599745       15.6771633555        6.3744382871
C        11.0550465494       16.1989805888        5.9002736150
C         8.8702183008       12.4351879908        1.9556746774
C         7.3661657317       12.6587606898        2.2184759356
C         6.6328204815       12.9964775214        0.9098310390
C         6.8291850376       11.8942144134       -0.1397897146
C         8.3194841580       11.6176460933       -0.3848890119
C         9.0812560022       11.3163377791        0.9203140057
C        11.6035062002       12.1411565054        3.0048689202
C        12.0876264105       13.5355653034        2.5612333924
C        13.5338193499       13.4895602198        2.0463772292
C        14.4772194740       12.8941663237        3.0989057845
C        13.9958467059       11.5125493086        3.5588196218
C        12.5453559977       11.5573147076        4.0754834640
C         9.4139619383       10.5713712884        4.2590838593
H         9.2783490490       13.3748559134        1.5439519211
H        11.6191753176       11.4645297106        2.1342866044
H         7.2219278822       13.4574739646        2.9618234248
H         6.9279201003       11.7478921412        2.6543502899
H         7.0125405254       13.9533003755        0.5199362878
H         5.5636373011       13.1489391070        1.1126304050
H         6.3350783033       10.9728796459        0.2017529102
H         6.3389516825       12.1775001341       -1.0826882911
H         8.4408723441       10.7677275578       -1.0734298034
H         8.7741971153       12.4931206327       -0.8745041361
H        10.1474844279       11.1780453611        0.6977469474
H         8.7222208111       10.3676749114        1.3380037811
H        11.4297135884       13.9478421932        1.7871828974
H        12.0236945352       14.2152980194        3.4268642361
H        13.8574158395       14.5009999602        1.7605504240
H        13.5739353223       12.8830891956        1.1287460605
H        15.4963360797       12.8312451763        2.6919322711
H        14.5334367090       13.5699977260        3.9646191981
H        14.0595342254       10.8017906195        2.7219631681
H        14.6496329376       11.1134812126        4.3484174394
H        12.4933081037       12.1805155286        4.9810577231
H        12.2285811789       10.5440222655        4.3606871155
H        10.0094371453        9.7793713444        3.7827471187
H         8.3610172390       10.3741554137        4.0154523546
P         9.8240341539       12.2332562268        3.5392395960
Rh        9.3504940753       13.9042992309        5.0228740822
P         9.1619474550       12.2698122183        6.5036755766
C         6.4372870572       11.8333838177        5.9326712103
H         6.5344005630       12.6987265444        5.2581573617
H         6.7114037548       10.9448762499        5.3457133833
C         7.4160660603       12.0153461180        7.1116369369
H         7.4422194193       11.0756135292        7.6893258600
C        10.1716552017       12.4564886809        8.0519359390
H         9.7722005306       13.3834992686        8.4956573072
C         6.9814466750       13.1572356694        8.0494566924
H         7.6264295838       13.1851868683        8.9367059556
H         7.1179500191       14.1193808045        7.5340178473
C        11.6644863777       12.6968776464        7.7565441511
H        11.7774245499       13.4957410229        7.0094246368
H        12.1060320592       11.7889392099        7.3175907496
C        12.2564584964       11.9344842400       10.1024713864
H        12.7645155516       11.0241281894        9.7518633911
H        12.7533773727       12.2250038091       11.0398656685
C         4.9801617787       11.7090243628        6.4084706408
H         4.8547997756       10.7815971837        6.9853162849
H         4.3227039228       11.6181875239        5.5306192006
C         9.9981383047       11.3169031982        9.0744691878
H         8.9389736820       11.1557692033        9.3134871544
H        10.3691019094       10.3780311823        8.6418000921
C         4.5822890620       12.9080401744        7.2746606554
H         3.5409258184       12.8221106928        7.6112990241
H         4.6342172808       13.8287122845        6.6753068400
C        10.7762296102       11.6247564329       10.3689445519
H        10.6840280121       10.7693513427       11.0552735104
H        10.3106026815       12.4876960028       10.8704421534
C        12.4179424950       13.0431686315        9.0522990920
H        12.0309820283       13.9933375321        9.4516520096
H        13.4815468796       13.2112496002        8.8321532815
C         5.5143390390       13.0242525705        8.4848357530
H         5.2401896656       13.8883609791        9.1064982819
H         5.3996456726       12.1328028587        9.1194070785
C         9.6260392266       10.6070292958        5.7831045678
H         9.0567561063        9.8144832050        6.2898945908
H        10.6855832862       10.4493642791        6.0269991012
C        18.1999675803        7.5339347822        4.1274259968
C        18.1613373616        7.2142228691        5.5932677929
C        19.3369217280        7.1011975401        6.3412827513
C        20.6851132850        7.6032679787        5.8921349571
C        18.4654993245        3.8500302012        1.9390630293
C        16.9627154245        4.0709266949        2.2121875033
C        16.2201546239        4.4118330883        0.9092097220
C        16.4120462327        3.3119885047       -0.1438489517
C        17.9014225034        3.0415504221       -0.4007448976
C        18.6736916889        2.7371248855        0.8972953721
C        21.2068927100        3.5392589986        2.9721296304
C        21.6847365033        4.9198978046        2.4809422315
C        23.1366961459        4.8692546046        1.9826685607
C        24.0750899219        4.3179575443        3.0633408157
C        23.6030109952        2.9454776174        3.5583090323
C        22.1488034919        2.9933120436        4.0630069689
C        19.0215760757        1.9832129641        4.2414886865
H        18.8691258957        4.7927023648        1.5297201965
H        21.2221919433        2.8335653958        2.1249044057
H        16.8231808642        4.8672829571        2.9590963730
H        16.5282618915        3.1581809955        2.6478863851
H        16.5962865211        5.3700981201        0.5191035524
H        15.1518898377        4.5621216571        1.1197341665
H        15.9238680658        2.3883118608        0.1998411263
H        15.9138089160        3.5939751972       -1.0828555489
H        18.0209077747        2.1951945334       -1.0939658343
H        18.3495359529        3.9207033344       -0.8899337291
H        19.7390134867        2.6049727808        0.6670242428
H        18.3219933146        1.7849285727        1.3130510550
H        21.0311700648        5.2965307566        1.6849487677
H        21.6059885490        5.6322845263        3.3188605550
H        23.4542466938        5.8729954533        1.6649745945
H        23.1908450256        4.2319507885        1.0867477168
H        25.0993865816        4.2548589774        2.6697289430
H        24.1135276499        5.0198881795        3.9090429691
H        23.6791841056        2.2126184527        2.7419390150
H        24.2536013985        2.5739895314        4.3640676413
H        22.0856353660        3.6404116561        4.9510298452
H        21.8377265917        1.9858517166        4.3740662610
H        19.6173727147        1.1903102794        3.7670631892
H        17.9686183729        1.7846876634        3.9992771204
P        19.4310170593        3.6425824659        3.5146814590
Rh       18.9716665336        5.3204160710        4.9922975891
P        18.7753146507        3.6896005905        6.4788302077
C        16.0551365822        3.1959603817        5.9113107746
H        16.1428237905        4.0286174778        5.1959869478
H        16.3384733731        2.2819976072        5.3696766477
C        17.0284481446        3.4440334737        7.0820452087
H        17.0588061502        2.5339162409        7.7050427995
C        19.7780971713        3.8811919065        8.0323304427
H        19.3839863972        4.8156733725        8.4650328241
C        16.5827970948        4.6285829950        7.9584140045
H        17.2243597788        4.7068787494        8.8450625297
H        16.7157851869        5.5621709172        7.3925054609
C        21.2740391138        4.1078154184        7.7414457471
H        21.3957756851        4.9003634078        6.9890629176
H        21.7104513236        3.1934414701        7.3108404702
C        21.8538865380        3.3560305201       10.0931416413
H        22.3524594570        2.4387446001        9.7469621402
H        22.3543965482        3.6451374844       11.0291241073
C        14.5992998317        3.0788380326        6.3932984579
H        14.4866924864        2.1828341773        7.0201530081
H        13.9428127191        2.9299373105        5.5229023685
C        19.5905032893        2.7533595950        9.0659212410
H        18.5292198347        2.6077999902        9.3058892681
H        19.9504316482        1.8055698320        8.6431370046
C        14.1858046710        4.3174405368        7.1936316202
H        13.1463177015        4.2346813942        7.5375594822
H        14.2236921488        5.2053445571        6.5457906065
C        20.3701359992        3.0632567512       10.3594662853
H        20.2681989169        2.2133853090       11.0512698502
H        19.9121864356        3.9340554076       10.8545095466
C        22.0255951370        4.4577244687        9.0374377416
H        21.6434204781        5.4127616860        9.4300003431
H        23.0907544757        4.6179534371        8.8192925426
C        15.1163268643        4.5102513405        8.3948858453
H        14.8355002700        5.4074645222        8.9641423078
H        15.0060055474        3.6568304656        9.0801133294
C        19.2347137692        2.0231035437        5.7655845278
H        18.6617694299        1.2350656616        6.2754462044
H        20.2933566464        1.8615891691        6.0104812040
H         9.6338434053       15.5056841456        7.4475107797
H         7.5706283775       15.7246875050        6.1624593528
H         7.5294635809       16.2634071469        3.7859531110
H         8.9789025146       15.2728420256        3.5513560384
H         9.1707818247       16.9836616406        3.9366864193
H        11.1183203631       17.2852667577        6.0838124336
H        11.2231755869       16.0510868828        4.8248724673
H        11.8847616401       15.7299381426        6.4406123975
H        10.9462665358        1.8485778847       16.8177748597
H        11.3349367018        1.4231459934       14.5097300436
H         8.5983134087        2.0775677702       17.6664082605
H         8.8866928298        0.3671506301       17.4143580814
H         7.9381252463        1.2724229475       16.2296965178
H         9.4513096599        1.1211000053       12.8736818653
H         8.2520251599        0.9920812289       14.1867625384
H         9.4104753242       -0.3147309396       13.8970125727
H        17.1906829192        7.1703631553        6.0843270964
H        19.2223331971        6.9396598906        7.4136735997
H        21.4966541184        7.1301586389        6.4558200592
H        20.8757869153        7.4419652675        4.8224770697
H        20.7572186629        8.6904010116        6.0666098659
H        17.2016232834        7.6849646145        3.7041221659
H        18.8516277029        8.3816092543        3.8745172013
H        18.6386607856        6.6690257638        3.5064904106
H        17.1414324005        9.9950945770       16.1280557383
H        19.2067030746       10.2237906868       17.4099943501
H        20.6916670842        8.4370358853       16.0557496961
H        20.7905846238        9.6612317340       14.7875952901
H        21.4553632210        9.9964976214       16.3993062054
H        17.0990025175        9.4393822550       13.7550541092
H        18.7379800644        8.7152753683       13.9135395666
H        18.5522591083       10.4229571169       13.5128120218
632
SCF Energy = -4406.9996970413 (a.u.)
Lowest Frequencies = 17.478392  22.634896  27.496929 (cm^-1)
III'' (librated) / [1-(2-butene)][BArF4]
B         9.5689091905        4.5040178713        5.0282878546
C        10.7777932582        5.5503303658        5.4002142384
C        10.9117425950        6.0935704290        6.6949771806
C        11.8556279709        7.0856746596        6.9956994480
C        12.7017483851        7.5867071571        6.0023755859
C        12.5843074359        7.0619160204        4.7121528977
C        11.6419509695        6.0678629616        4.4199166664
C        11.9976397323        7.5485863051        8.4224300345
C        13.5080691075        7.5072015228        3.6156661543
C         9.2367311916        3.4858791328        6.2617148783
C         7.9475401886        2.9653990992        6.4506565905
C         7.6651842631        2.0361314412        7.4597114387
C         8.6651509156        1.5840077737        8.3179684209
C         9.9647696523        2.0716855414        8.1323589048
C        10.2439435081        2.9950390029        7.1199598533
C         6.2563931018        1.5438950851        7.5986828430
C        11.0370249958        1.5701748518        9.0567216971
F        12.8951175791        8.5692631032        8.5794795924
F        12.3946030668        6.5102079253        9.2451255716
F        14.4828063767        8.3600733801        4.0646854243
F        12.8541441168        8.1504800672        2.5904583308
F        14.1376827008        6.4332166796        3.0329192148
F         6.0660123620        0.7890174894        8.7212333145
F         5.8697354140        0.7811645508        6.5119269103
F         5.3578387414        2.5779307982        7.6251468740
F        10.6064541262        1.5728157862       10.3651259276
F        12.1853885683        2.2951265654        9.0222083222
F        11.3998039668        0.2725637523        8.7996062046
F        10.8185066504        8.0046653867        8.9516866061
H        10.2675582755        5.7298405969        7.4949828649
H        13.4477040488        8.3395749289        6.2332094792
H        11.5876988615        5.6860020908        3.4006777207
H         7.1347385733        3.2981695929        5.8052016419
H         8.4368784501        0.8809743589        9.1127191798
H        11.2658551186        3.3527504173        7.0055355987
F         8.4509079023        8.0728616405        1.2551086673
F         6.3201362991        8.5772441524        1.4791784716
F         8.5362977673        1.5045136053       -0.3014619921
F         4.6538254557        8.3636629056        5.9886640477
F         7.7415983239        0.2200012374        1.2626695919
F        13.0761823103        0.7821222544        1.3327001116
F         6.9651865187        2.2824234776        1.0365600364
F         4.9412772028        6.4383943321        7.0272809452
C        11.4794167419        2.0339505234        2.5918011146
F         6.8964341436        6.5815612192        0.7434515489
C        10.4781017763        1.5637394174        1.7443213059
H        10.7080324822        0.8549497173        0.9552824553
F         6.2930573160        8.1468677614        7.4062408736
C         8.2284700351        6.0709546846        3.3690932218
H         8.8984567450        5.7271280813        2.5819082088
C         9.9046893721        3.4838967956        3.7881398463
C         8.3443562180        5.5240568108        4.6607285313
C        11.1971267257        2.9730531466        3.5925556689
H        12.0117564213        3.3202468866        4.2280014410
C         8.8961918985        2.9745513938        2.9379668744
H         7.8722344866        3.3253983508        3.0554860329
F        13.2748823256        0.7882135026        3.5418311631
C         7.4594177764        6.0266389319        5.6301455262
H         7.5096104537        5.6499650618        6.6516757342
C         6.4080767953        7.5383954314        4.0350626441
H         5.6648209733        8.2916404023        3.7967645525
C         9.1746263249        2.0411712434        1.9312868106
C         7.2822296004        7.0537093278        3.0586808371
C         6.5091868915        7.0088303237        5.3243474679
C         8.1031326060        1.5277257095        1.0062577801
C         7.2268148643        7.5721468513        1.6505263985
C        12.8889887360        1.5439797283        2.4455943051
F        13.7854354136        2.5771921649        2.3686980819
C         5.6022653919        7.4871725543        6.4199924302
B        -0.0348201396       13.0769206290        5.0136281703
C         1.1769518718       14.1155491097        5.3811481918
C         1.3052402693       14.6603666571        6.6747743307
C         2.2527372842       15.6455378725        6.9771163744
C         3.1100319926       16.1344376151        5.9845433221
C         2.9991307735       15.6080206210        4.6935138371
C         2.0484355204       14.6220834307        4.4008853542
C         2.3961642289       16.1204544964        8.4003132110
C         3.9151535410       16.0711849768        3.5940493774
C        -0.3734589769       12.0614183911        6.2441295695
C        -1.6625846924       11.5427011017        6.4371108181
C        -1.9412615623       10.6178599083        7.4513756065
C        -0.9417294877       10.1700186326        8.3100885268
C         0.3556840195       10.6550253336        8.1163110458
C         0.6345362478       11.5715532508        7.0992131025
C        -3.3458440248       10.1225359291        7.5966879220
C         1.4362347885       10.1483358035        9.0212442449
F         3.2958859356       17.1458957918        8.5114275938
F         2.7977900308       15.0937801354        9.2403769914
F         4.8830669561       16.9294133164        4.0604344858
F         3.2523786960       16.7308572189        2.5889667312
F         4.5393065815       15.0151614812        2.9657009308
F        -3.5329536748        9.3671277504        8.7201565228
F        -3.7302262131        9.3582295898        6.5112370006
F        -4.2434802305       11.1559610734        7.6252602065
F         1.0153414269       10.1471589233       10.3455025481
F         2.5846591871       10.8715482383        8.9547276745
F         1.7987429388        8.8551812613        8.7324704083
F         1.2249455894       16.5823484852        8.9479908235
H         0.6521952414       14.3039590289        7.4706390065
H         3.8584703770       16.8841647582        6.2164853670
H         1.9909464794       14.2404510783        3.3816031321
H        -2.4770960572       11.8726724096        5.7924060173
H        -1.1677709919        9.4719301159        9.1090739582
H         1.6569218829       11.9246254526        6.9779546324
F        -1.1479662450       16.6503041844        1.2548184651
F        -3.2791219562       17.1553218180        1.4786836207
F        -1.0695403843       10.0858586401       -0.2955083596
F        -4.9448849005       16.9409664092        5.9887864909
F        -1.8573274157        8.7935732417        1.2626342736
F         3.4776386225        9.3602959077        1.3180479783
F        -2.6322210727       10.8565794387        1.1022070332
F        -4.6576761855       15.0158738101        7.0268452561
C         1.8851664713       10.6181284385        2.5749610567
F        -2.7023253270       15.1592032078        0.7429795360
C         0.8834592999       10.1397783251        1.7351144499
H         1.1121631538        9.4315463307        0.9456386471
F        -3.3057954512       16.7240831992        7.4058255858
C        -1.3742407947       14.6467939386        3.3607392130
H        -0.7064675276       14.3032103934        2.5712228045
C         0.3097419348       12.0588374223        3.7796512153
C        -1.2580250603       14.0979424523        4.6503447055
C         1.6041590948       11.5556887935        3.5772492122
H         2.4207913266       11.9069112584        4.2075486884
C        -0.6987267421       11.5425303674        2.9381078221
H        -1.7237733205       11.8870215694        3.0614914615
F         3.6787783436        9.3575813293        3.4928265992
C        -2.1406722849       14.6002792582        5.6227607308
H        -2.0897348174       14.2200574939        6.6426984160
C        -3.1905917433       16.1174586236        4.0335769335
H        -3.9325611836       16.8725071961        3.7969809140
C        -0.4188388157       10.6099022824        1.9329134109
C        -2.3188020365       15.6320063062        3.0556120650
C        -3.0895668821       15.5855172418        5.3220240499
C        -1.4956868655       10.1009848019        1.0210720288
C        -2.3727844045       16.1503193916        1.6488646681
C         3.2910784542       10.1267861718        2.4224788252
F         4.1889863744       11.1582576149        2.3652480073
C        -3.9962059418       16.0642386815        6.4190974092
B         9.5013444913       12.6676912737       14.9847647586
C        10.7095449314       11.6348239397       15.3610869903
C        10.8360964859       11.0946328656       16.6560893879
C        11.7851822253       10.1130486550       16.9609271616
C        12.6441174293        9.6238514766       15.9683853420
C        12.5311419139       10.1454801011       14.6747418043
C        11.5801214163       11.1286259140       14.3808036572
C        11.9336500132        9.6401194672       18.3843837301
C        13.4519671585        9.6841501460       13.5782122399
C         9.1644728070       13.6947761817       16.2028524384
C         7.8756223406       14.2133526663       16.3988587893
C         7.6019202994       15.1447983132       17.4090029905
C         8.6087457235       15.6004945264       18.2556917350
C         9.9067351898       15.1160008741       18.0558379760
C        10.1792391423       14.1912674920       17.0462540051
C         6.1957883062       15.6351968973       17.5725232658
C        10.9879763069       15.6277188698       18.9572844974
F        12.8487549243        8.6419417096       18.4963825132
F        12.3389025655       10.6516896213       19.2313493141
F        14.4332617055        8.8599227324       14.0529588312
F        12.7982937176        9.0029961050       12.5776208039
F        14.0816273813       10.7270496078       12.9467020816
F         6.0124748976       16.3668342102       18.7098371264
F         5.8138481034       16.4349598681       16.5057601630
F         5.3060043060       14.5869016303       17.6055564216
F        10.5572194422       15.6568822746       20.2693630543
F        12.1244485823       14.8728279472       18.9361800497
F        11.3481418146       16.9276924380       18.6461738806
F        10.7700158638        9.1530646324       18.9333626996
H        10.1811504837       11.4519352706       17.4500260810
H        13.3976549703        8.8791587741       16.2020822686
H        11.5216021346       11.5099485528       13.3614976745
H         7.0578966812       13.8751897618       15.7624201412
H         8.3874484280       16.3028536745       19.0523341960
H        11.2005898622       13.8358010260       16.9221687238
F         8.3969887211        9.0814682082       11.2410018755
F         6.2654797898        8.5766116317       11.4648254888
F         8.4762298912       15.5823152371        9.6195391216
F         4.6003302690        8.7915443751       15.9752765415
F         7.6176637323       16.7966235577       11.2422431308
F        13.0222921332       16.3644149627       11.2537192584
F         6.9175430683       14.7298039592       10.9473222488
F         4.8870009506       10.7166445161       17.0134666441
C        11.4212873248       15.1088874655       12.5214107048
F         6.8425970602       10.5728890780       10.7296449115
C        10.4190433048       15.5388313961       11.6529436830
H        10.6429281210       16.2304074056       10.8472228897
F         6.2393003331        9.0084924081       17.3918569663
C         8.1699520360       11.0822559043       13.3447927567
H         8.8404376303       11.4200015878       12.5551804670
C         9.8527152228       13.6663736315       13.7392755825
C         8.2811310362       11.6401245672       14.6307103149
C        11.1404418433       14.1909366499       13.5436605493
H        11.9532914539       13.8711643255       14.1954291666
C         8.8468397061       14.1379322839       12.8719163495
H         7.8264904899       13.7782069830       12.9907916327
F        13.2195575812       16.3735122846       13.4612835270
C         7.3988386980       11.1400651170       15.6046696580
H         7.4469741187       11.5258214797       16.6226966057
C         6.3530572389        9.6145631901       14.0201477596
H         5.6114073032        8.8588321607       13.7848785494
C         9.1230658228       15.0423722114       11.8437428660
C         7.2251465691       10.0978556143       13.0414702355
C         6.4538980532       10.1493092144       15.3074895323
C         8.0338900339       15.5216486853       10.9298326620
C         7.1719456839        9.5805864906       11.6346500880
C        12.8304818384       15.6087639109       12.3772736997
F        13.7317091463       14.5766100765       12.3482018132
C         5.5484366318        9.6689789028       16.4050324577
B        -0.0932258400        4.0862447191       15.0085364551
C         1.1199029127        3.0449981384       15.3765079637
C         1.2538546543        2.5081511169       16.6730096239
C         2.1911429679        1.5119677663       16.9720939035
C         3.0354753686        1.0060315838       15.9793503045
C         2.9223095723        1.5265420953       14.6889821885
C         1.9805502996        2.5216907580       14.3946222706
C         2.3399932245        1.0357299621       18.3907786248
C         3.8522727630        1.0718346542       13.6002405464
C        -0.4299753181        5.1082074099       16.2389914381
C        -1.7222532740        5.6115882434       16.4532380207
C        -1.9968691854        6.5513029791       17.4575599493
C        -0.9874790242        7.0309390809       18.2834525264
C         0.3131205477        6.5587613372       18.0713778554
C         0.5873011927        5.6261782699       17.0680845077
C        -3.4021541657        7.0519179548       17.5906390796
C         1.3884773600        7.0755108032       18.9760931055
F         3.2412419326        0.0101340564       18.4986609265
F         2.7432305684        2.0621461019       19.2290251644
F         4.8255277729        0.2190922924       14.0513508788
F         3.2005480513        0.4268595025       12.5756939576
F         4.4845116382        2.1450634425       13.0182856611
F        -3.6503794182        7.7893936714       18.7107889459
F        -3.7197812820        7.8567483509       16.5041929060
F        -4.2955973360        6.0086038973       17.6014055910
F         0.9552949258        7.0767243751       20.2837794298
F         2.5362067716        6.3528517339       18.9365749026
F         1.7468935754        8.3733540231       18.7131431427
F         1.1698202892        0.5719280496       18.9361231162
H         0.6133377798        2.8783735202       17.4726818390
H         3.7795625657        0.2522778810       16.2108064609
H         1.9244213669        2.9000171347       13.3739399199
H        -2.5434254874        5.2601057266       15.8293634469
H        -1.2075963190        7.7411205748       19.0733685108
H         1.6125107434        5.2832407033       16.9379820857
F        -1.1992860839        0.4358273170       11.2437563327
F        -3.3352049105        0.0016844725       11.4649274397
F        -1.1174542900        7.0729123026        9.6834071274
F        -4.9920756813        0.2153656048       15.9817363360
F        -1.9117462795        8.3583471923       11.2485104673
F         3.4236044402        7.7957512483       11.3188719586
F        -2.6876336867        6.2957005698       11.0229417423
F        -4.7170486256        2.1470599983       17.0114838178
C         1.8258299559        6.5467680487       12.5751300498
F        -2.6868394832        1.9894596077       10.7335438004
C         0.8258070166        7.0175213092       11.7262067266
H         1.0571011776        7.7256701948       10.9367643622
F        -3.3637582901        0.4961463501       17.4552497653
C        -1.4158452003        2.4976858158       13.3556478763
H        -0.7507756541        2.8456449627       12.5655576479
C         0.2476149349        5.1020359174       13.7710917805
C        -1.3087134401        3.0564718543       14.6429801142
C         1.5414501801        5.6094448327       13.5765222807
H         2.3553394359        5.2614283040       14.2126355191
C        -0.7589037587        5.6105610186       12.9206532552
H        -1.7834753608        5.2625558570       13.0398333943
F         3.6218816203        7.7891812331       13.5283426429
C        -2.1902514531        2.5546007680       15.6158105090
H        -2.1450873727        2.9433038696       16.6327514376
C        -3.2199531995        1.0149765520       14.0348847596
H        -3.9560319467        0.2529419343       13.8006868090
C        -0.4779223633        6.5409493086       11.9134095774
C        -2.3491027547        1.5002578770       13.0523930459
C        -3.1302400749        1.5591234798       15.3215468908
C        -1.5502935510        7.0513865312       10.9907755210
C        -2.4032096740        0.9813852210       11.6408921400
C         3.2360762876        7.0341360964       12.4308304090
F         4.1321545455        6.0004061216       12.3551449361
C        -4.0455701480        1.1020397845       16.4243947234
C        10.3757165250        1.0490473817       15.9315839340
C        10.4585890405        1.3670399099       14.4687150005
C         9.3068796864        1.4868534630       13.6858369627
C         7.9424496070        0.9893640239       14.0872943328
C         8.8973661869        4.6722709670       11.9979571282
C         7.3963923428        4.4676840633       12.2810505499
C         6.6472905866        4.1143029565       10.9849966006
C         6.8383645573        5.2049266133        9.9212023403
C         8.3273470239        5.4727727308        9.6579005718
C         9.1093391908        5.7816289427       10.9501495208
C        11.6389743589        5.1154014612       12.9826078619
C        12.1035729411        3.9207647920       12.1306031029
C        13.5729349054        4.0477596263       11.7042443960
C        14.4914856262        4.2690046674       12.9100774457
C        14.0553058026        5.5101707328       13.6952483083
C        12.5954298614        5.3817240920       14.1626713291
C         9.4179791280        6.5528822691       14.2500135825
H         9.2847179652        3.7268529424       11.5840571271
H        11.6153700683        6.0167608541       12.3465307557
H         7.2607974237        3.6840587862       13.0400950193
H         6.9680924924        5.3903253984       12.7018164471
H         7.0198845864        3.1514639457       10.6024935719
H         5.5791457318        3.9686831872       11.1994036923
H         6.3515588769        6.1316640934       10.2587813404
H         6.3376990486        4.9148976511        8.9854350256
H         8.4441371180        6.3155271554        8.9597074325
H         8.7721697201        4.5914238280        9.1704501224
H        10.1744590502        5.9020864204       10.7119864671
H         8.7685854772        6.7412927453       11.3600550313
H        11.4703123972        3.8209339188       11.2407263142
H        11.9750314327        2.9960539534       12.7118752607
H        13.8695496838        3.1469042758       11.1480304639
H        13.6788016901        4.8920608699       11.0074255388
H        15.5325143357        4.3632746437       12.5724040857
H        14.4623369033        3.3882912801       13.5679927190
H        14.1646139559        6.4026708033       13.0625489720
H        14.7004274294        5.6724491112       14.5716504999
H        12.5082952431        4.5529755245       14.8822413215
H        12.2975590242        6.2961085897       14.6956523581
H         9.9980422441        7.3347233938       13.7387984940
H         8.3630815263        6.7135474000       13.9891937383
P         9.8822008596        4.8787742581       13.5608696994
Rh        9.6456592506        3.2621063208       15.0572383409
P         9.2011278848        4.9577893382       16.5241581779
C         6.4798843823        5.4704570451       15.9269124068
H         6.5707482235        4.7125097999       15.1337909275
H         6.7662151565        6.4349264141       15.4834884282
C         7.4328700810        5.1045215903       17.0823292360
H         7.4161450232        5.9285736842       17.8152048509
C        10.1801646746        4.7658722797       18.0925277596
H         9.7801973467        3.8257455720       18.5106994991
C         6.9847633949        3.8074119105       17.7819665169
H         7.6317284413        3.5924872078       18.6406180914
H         7.1033497961        2.9658917846       17.0792573061
C        11.6805268358        4.5387578864       17.8157407368
H        11.8135271643        3.7378116941       17.0724672124
H        12.1187146300        5.4473880951       17.3754451138
C        12.2359865239        5.3016439994       20.1699383904
H        12.7285515267        6.2226864858       19.8250290317
H        12.7324695689        5.0181231498       21.1094713223
C         5.0199962728        5.5439005411       16.4098815682
H         4.9116741779        6.3768350962       17.1193236883
H         4.3691400733        5.7827745472       15.5553299869
C         9.9755051033        5.8844492345       19.1289203039
H         8.9105554938        6.0173658248       19.3592510043
H        10.3282011412        6.8360512189       18.7102317476
C         4.5859307586        4.2373805389       17.0839048513
H         3.5520978814        4.3133269832       17.4483537521
H         4.5912441960        3.4217713766       16.3460383632
C        10.7481868986        5.5799767174       20.4268786205
H        10.6330946788        6.4272337530       21.1193984694
H        10.2964739950        4.7028852478       20.9167804291
C        12.4225827975        4.1988307017       19.1190704962
H        12.0426928941        3.2432176725       19.5122246742
H        13.4898960687        4.0432756341       18.9085818994
C         5.5227178053        3.8872348401       18.2460348065
H         5.2313558246        2.9338453077       18.7088713344
H         5.4338483160        4.6536088223       19.0314658889
C         9.6106204404        6.6091216023       15.7761309464
H         8.9995915362        7.4007460737       16.2331613229
H        10.6579344462        6.8215319901       16.0304137306
C        18.1360739911        9.5848557742       14.1219895575
C        18.1098865352        9.9283179681       15.5829357886
C        19.2927981367       10.0369744075       16.3204278778
C        20.6315719237        9.5195301452       15.8606402343
C        18.4511978650       13.2577249062       11.8950724907
C        16.9473442472       13.0444677773       12.1696616719
C        16.1995287091       12.7064221358       10.8694256708
C        16.3932769621       13.8050695788        9.8158230658
C        17.8832967140       14.0658347581        9.5540723418
C        18.6647524116       14.3646268490       10.8479105143
C        21.1892051290       13.5784246878       12.9445814512
C        21.6808911759       12.1859266066       12.5053351869
C        23.1290397265       12.2351656189       11.9981689537
C        24.0641918827       12.8343683632       13.0552601284
C        23.5770743783       14.2158801019       13.5088781868
C        22.1240396930       14.1681072232       14.0183660004
C        18.9886695130       15.1366184212       14.1879144687
H        18.8525056983       12.3113854541       11.4924076766
H        21.2040642468       14.2538804418       12.0730582995
H        16.8051061805       12.2500502582       12.9180068264
H        16.5177117800       13.9597571635       12.6049149758
H        16.5698211741       11.7463985914       10.4783714263
H        15.1312955519       12.5613139711       11.0832792931
H        15.9112435750       14.7316138950       10.1607395347
H        15.8906082019       13.5243546441        8.8787265408
H        18.0053212449       14.9121175604        8.8612247561
H        18.3225545750       13.1843083586        9.0622212594
H        19.7303352730       14.4836286150       10.6118034148
H        18.3261057172       15.3222254920       11.2617922691
H        21.0281535339       11.7718784201       11.7290185876
H        21.6147127829       11.5063332615       13.3710074884
H        23.4568994679       11.2243348838       11.7154046845
H        23.1730727609       12.8406974813       11.0801493890
H        25.0850390612       12.8982051167       12.6539752238
H        24.1164014557       12.1604725479       13.9226004819
H        23.6435677023       14.9248735310       12.6706923307
H        24.2256524205       14.6188951979       14.3009111753
H        22.0696336820       13.5465905216       14.9250707005
H        21.8028452866       15.1809960930       14.2996162742
H        19.5841159113       15.9290270639       13.7122225364
H        17.9365152838       15.3299661632       13.9383727014
P        19.4094016938       13.4748298486       13.4746360725
Rh       18.9401734024       11.8059497912       14.9610579228
P        18.7327355505       13.4425247714       16.4356045167
C        16.0064867126       13.8710889521       15.8568959694
H        16.0963086954       12.9993653985       15.1897969499
H        16.2860403971       14.7520233781       15.2611349632
C        16.9840764733       13.6918747391       17.0365539673
H        17.0071991683       14.6319824625       17.6138361349
C        19.7322726878       13.2642172323       17.9911084846
H        19.3335721255       12.3360259141       18.4330949002
C        16.5456540370       12.5505318351       17.9733634054
H        17.1945172628       12.5131547402       18.8574955719
H        16.6710415836       11.5893946762       17.4530303143
C        21.2282127568       13.0285102000       17.7082146661
H        21.3499857224       12.2292820064       16.9627746854
H        21.6707835390       13.9374047154       17.2722360226
C        21.7957894821       13.7933351858       20.0596767277
H        22.3029664972       14.7057327594       19.7129019152
H        22.2860920458       13.5053454295       21.0014179269
C        14.5516740066       14.0110903548       16.3353902556
H        14.4362308837       14.9438351080       16.9056970385
H        13.8927890758       14.1009644305       15.4585310860
C        19.5460623534       14.4042256725       19.0113253371
H        18.4843169335       14.5639263259       19.2405578234
H        19.9198166394       15.3436308370       18.5818202079
C        14.1443906514       12.8217579375       17.2107954481
H        13.1057622891       12.9231097004       17.5525264805
H        14.1808183477       11.8981389830       16.6151014338
C        20.3121545519       14.0977721639       20.3133154012
H        20.2106300542       14.9522330810       20.9994534004
H        19.8441520655       13.2329136856       20.8095859322
C        21.9708255851       12.6851255755       19.0110426194
H        21.5838447005       11.7332298304       19.4065226474
H        23.0369099925       12.5208883512       18.8006902087
C        15.0818350435       12.6968314108       18.4163495603
H        14.8025465586       11.8351478836       19.0394551209
H        14.9794334182       13.5889939311       19.0521903610
C        19.1939011356       15.1052949201       15.7129533137
H        18.6206235052       15.8977064052       16.2153490423
H        20.2520176289       15.2664473428       15.9609592090
C         8.5769079913       16.1637967209        4.1475490761
C         8.5468295112       15.8097286823        5.6057626771
C         9.7273249027       15.6947997001        6.3461841479
C        11.0668663706       16.2263552664        5.9056794152
C         8.8925536444       12.4833497386        1.8823925744
C         7.3923658528       12.7300359359        2.1481211805
C         6.6551519026       13.0557329523        0.8386755674
C         6.8346594805       11.9362538230       -0.1954771779
C         8.3208090684       11.6417709774       -0.4432207322
C         9.0833719461       11.3465404033        0.8624045351
C        11.6283124785       12.2054821624        2.9293282672
C        12.1172904007       13.6139343160        2.5390656488
C        13.5580463515       13.5763000963        2.0093213901
C        14.5065242787       12.9332425059        3.0289681292
C        14.0170662341       11.5416306824        3.4492431730
C        12.5703484461       11.5810815239        3.9767924483
C         9.4474565868       10.6108953274        4.1666344914
H         9.3127981150       13.4112017473        1.4561845565
H        11.6435894543       11.5624631866        2.0335636386
H         7.2615572116       13.5417681869        2.8795764639
H         6.9457672454       11.8315812921        2.6009544634
H         7.0427575652       14.0024152648        0.4322055571
H         5.5885864374       13.2225896259        1.0450745595
H         6.3334469164       11.0244168990        0.1613297487
H         6.3428116581       12.2108578699       -1.1399730412
H         8.4311627816       10.7837653273       -1.1234557421
H         8.7820080639       12.5079590690       -0.9431039894
H        10.1466038451       11.1888684180        0.6388149649
H         8.7110822898       10.4084251241        1.2933114406
H        11.4553238738       14.0627937629        1.7891912194
H        12.0661045410       14.2573995207        3.4327796029
H        13.8878432426       14.5952139359        1.7596478505
H        13.5843357085       13.0055849868        1.0686359981
H        15.5197269346       12.8737701782        2.6075454426
H        14.5803560681       13.5783469986        3.9164708146
H        14.0693302657       10.8551920217        2.5913319661
H        14.6739299698       11.1145024048        4.2216496170
H        12.5279762002       12.1767023092        4.9014265696
H        12.2481254899       10.5617894788        4.2321769165
H        10.0469106648        9.8274188826        3.6813548586
H         8.3957054993       10.4108699954        3.9203990906
P         9.8486717960       12.2819784418        3.4645106242
Rh        9.3721405411       13.9374552119        4.9644347266
P         9.1797963074       12.2840140000        6.4253531542
C         6.4615141157       11.8468971317        5.8225008311
H         6.5605165041       12.7237743586        5.1633264682
H         6.7434720308       10.9695552622        5.2226795643
C         7.4294984700       12.0134361267        7.0123134259
H         7.4540332460       11.0654672655        7.5764771576
C        10.1764141005       12.4585409792        7.9828180992
H         9.7723278586       13.3811234718        8.4312165894
C         6.9819168316       13.1400659629        7.9617459631
H         7.6206526064       13.1594498802        8.8532394223
H         7.1164981661       14.1095549036        7.4595315940
C        11.6709645319       12.7042949834        7.6993557518
H        11.7876412298       13.5075362888        6.9574914711
H        12.1178832411       11.7998993152        7.2583480639
C        12.2464675971       11.9298837994       10.0458591100
H        12.7606775786       11.0234432647        9.6943209795
H        12.7349310651       12.2167230985       10.9889481055
C         5.0013191061       11.7084325555        6.2843878545
H         4.8755364516       10.7708950190        6.8441133444
H         4.3525404899       11.6298399746        5.3992647316
C         9.9988275791       11.3104042411        8.9953379511
H         8.9383419131       11.1423109128        9.2249319241
H        10.3777961840       10.3766369570        8.5584730859
C         4.5898162649       12.8900465318        7.1675640132
H         3.5466303217       12.7912480280        7.4956740379
H         4.6388782398       13.8208336188        6.5839587601
C        10.7651691259       11.6126749084       10.2985246878
H        10.6705806452       10.7525523501       10.9785142322
H        10.2916834884       12.4703999224       10.8015265862
C        12.4134070329       13.0448764226        9.0030256936
H        12.0211912711       13.9921166827        9.4042349433
H        13.4782888057       13.2165843635        8.7922913298
C         5.5128425941       12.9929160798        8.3856924627
H         5.2298735900       13.8467316947        9.0174942816
H         5.3987811223       12.0922297844        9.0073645006
C         9.6597771708       10.6327329363        5.6902803238
H         9.0987606154        9.8297509605        6.1896959063
H        10.7210791229       10.4834683813        5.9318712697
C        18.2386525712        7.5674783798        4.0973824215
C        18.1866908561        7.2354326077        5.5595655202
C        19.3553482744        7.1279711038        6.3188965936
C        20.7034759970        7.6436901695        5.8859084221
C        18.5165377043        3.8878048166        1.8907741497
C        17.0165183394        4.1238565718        2.1659583894
C        16.2725980137        4.4582359537        0.8624737201
C        16.4523700157        3.3477124149       -0.1812633189
C        17.9386419851        3.0628332565       -0.4386499803
C        18.7111478448        2.7621572296        0.8597884630
C        21.2582332927        3.5830088049        2.9204492181
C        21.7401378101        4.9695414733        2.4515978315
C        23.1849929668        4.9156047214        1.9344937383
C        24.1311861136        4.3367114269        2.9936146723
C        23.6521231603        2.9622539173        3.4765913973
C        22.2035841476        3.0160574378        3.9974066909
C        19.0742098896        2.0211490332        4.1843111738
H        18.9272934662        4.8223298309        1.4701869100
H        21.2694767195        2.8923061479        2.0608599276
H        16.8857910787        4.9283140469        2.9055725957
H        16.5759079769        3.2190626512        2.6119841619
H        16.6554300338        5.4095265074        0.4621096227
H        15.2063799584        4.6194655573        1.0749919374
H        15.9569378231        2.4308698596        0.1705785832
H        15.9551735134        3.6269122908       -1.1216987536
H        18.0496458225        2.2108406362       -1.1261258306
H        18.3922303995        3.9351928485       -0.9346109878
H        19.7744673386        2.6180613109        0.6281879035
H        18.3513211866        1.8164027956        1.2844468871
H        21.0803824474        5.3670173292        1.6717034073
H        21.6773374501        5.6656727728        3.3043772850
H        23.5073936727        5.9225084822        1.6322380853
H        23.2227372890        4.2940636163        1.0266782218
H        25.1487089460        4.2687591537        2.5844277727
H        24.1893130990        5.0256813684        3.8486959677
H        23.7127494799        2.2382906218        2.6508683168
H        24.3090095253        2.5758693029        4.2702542211
H        22.1539914090        3.6534904449        4.8934450007
H        21.8875593826        2.0075122022        4.2994080217
H        19.6731949139        1.2317916884        3.7079591204
H        18.0225914869        1.8217881467        3.9371119423
P        19.4835339170        3.6837041899        3.4658809400
Rh       19.0207318758        5.3546862417        4.9510196329
P        18.8151449653        3.7170187493        6.4274702982
C        16.0947878734        3.2455896230        5.8398507165
H        16.1822482470        4.0955517228        5.1451133364
H        16.3817132885        2.3462190166        5.2760661251
C        17.0643906031        3.4686793811        7.0184513758
H        17.0889641489        2.5476255365        7.6254896883
C        19.8080497549        3.8978916626        7.9879569288
H        19.4096364651        4.8277861148        8.4264881464
C        16.6148739397        4.6383257627        7.9130897587
H        17.2568400672        4.7076285716        8.8002617579
H        16.7420061161        5.5808705555        7.3607303787
C        21.3056720493        4.1297661101        7.7095154173
H        21.4316494872        4.9292131573        6.9650431421
H        21.7471214176        3.2202575818        7.2737048883
C        21.8664377951        3.3611584032       10.0617874841
H        22.3700147258        2.4472807032        9.7138400442
H        22.3577851471        3.6456490130       11.0041730538
C        14.6384177789        3.1122545663        6.3161546309
H        14.5278550258        2.1999553801        6.9194371351
H        13.9847403529        2.9840188843        5.4404689172
C        19.6153181443        2.7600555643        9.0097879225
H        18.5524775170        2.6065611573        9.2383089272
H        19.9846045009        1.8180972998        8.5818689423
C        14.2174639911        4.3286033130        7.1466303052
H        13.1794091278        4.2283354817        7.4915118711
H        14.2449363602        5.2312479480        6.5188656846
C        20.3810610362        3.0627387584       10.3132172613
H        20.2748840173        2.2077016124       10.9981522279
H        19.9157737776        3.9287918553       10.8099140863
C        22.0463114417        4.4701105377        9.0145865403
H        21.6607605831        5.4224368168        9.4104348204
H        23.1133042511        4.6320684729        8.8066935978
C        15.1494963513        4.5037803437        8.3497642019
H        14.8636882004        5.3870318493        8.9379809696
H        15.0460902914        3.6369269196        9.0190954180
C        19.2824039743        2.0552784374        5.7087126417
H        18.7124648610        1.2620912681        6.2137629217
H        20.3414886862        1.8985212006        5.9552683069
H         9.6195292216       15.5079942638        7.4149002891
H         7.5789072218       15.7425402756        6.0996503922
H         7.5757319823       16.3114185416        3.7299210662
H         9.0264851489       15.3202818391        3.5060623839
H         9.2164212253       17.0260385599        3.9135118248
H        11.1276264600       17.3075859995        6.1178635752
H        11.2524287886       16.1052686565        4.8300491162
H        11.8876557435       15.7437034161        6.4476779592
H        11.4435924194        1.4062188860       14.0064178827
H         9.4575208759        1.6504013060       12.6181648464
H        11.3605189975        0.8903510043       16.3815929761
H         9.7100490481        0.2077315902       16.1678921084
H         9.9279787341        1.9184812289       16.5429349119
H         7.1529631951        1.4653892726       13.4953456024
H         7.7131634616        1.1513232239       15.1493060501
H         7.8727227131       -0.0972077616       13.9077601828
H        17.2111310289        7.1792914180        6.0395136722
H        19.2315161341        6.9577563947        7.3889570444
H        21.5127988116        7.1756047054        6.4566058160
H        20.9074496263        7.4877272842        4.8178321361
H        20.7643563067        8.7309031105        6.0644215084
H        17.2438369566        7.7112369264        3.6637823254
H        18.8839996981        8.4242543020        3.8596918749
H        18.6949104288        6.7135309320        3.4737403802
H        17.1436209400        9.9876002120       16.0805446579
H        19.1907235735       10.2096983130       17.3922264368
H        20.6927887825        8.4310950526       16.0314240632
H        20.8156422396        9.6794041931       14.7894040729
H        21.4527804917        9.9826062363       16.4181891972
H        17.1335107956        9.4442679636       13.7053208636
H        18.7711186338        8.7208331438       13.8819172510
H        18.5888961701       10.4300511378       13.4869565490
89
SCF Energy = -327.4341120706 (a.u.)
Lowest Frequencies =  24.304470  26.390464  31.383543 (cm^-1)
III+ (molecular, CP2K) / [1-(cis-2-butene)]+
C        11.9576507926        9.8527363593       11.6169675662
C        11.5585007436       10.1865782882       13.0229705446
C        12.5014233537       10.3670106500       14.0387026618
C        13.9232590414        9.8688579126       14.0354041338
C        11.8511970122       13.6233078540        9.4517251383
C        10.3572602618       13.3875535244        9.7560882140
C         9.5545338804       13.1824807375        8.4603731521
C         9.7385133134       14.3632442448        7.4956762526
C        11.2248716003       14.6062422421        7.1970471429
C        12.0383692069       14.8140696007        8.4888747306
C        14.6166072495       13.8399749879       10.4478284757
C        15.0568950588       12.4983219330        9.8255443905
C        16.5220151306       12.5511753565        9.3585817938
C        17.4615971600       12.9580529471       10.5026931767
C        17.0262847312       14.2930394585       11.1234509350
C        15.5625794816       14.2445113753       11.5947556166
C        12.4417736061       15.4047437139       11.7379281958
H        12.2394109266       12.7155828151        8.9597009696
H        14.6533699547       14.6225467451        9.6724506481
H        10.2444763452       12.5261367460       10.4325007660
H         9.9518356511       14.2557110532       10.2979664035
H         9.8858795115       12.2541967572        7.9713609922
H         8.4909261220       13.0424580435        8.7018923864
H         9.3022442156       15.2695828013        7.9410055750
H         9.1874668639       14.1823789844        6.5612195604
H        11.3499513238       15.4795298573        6.5405063940
H        11.6344486639       13.7456432928        6.6476109307
H        13.0999054512       14.9545111453        8.2413056686
H        11.7037492787       15.7384344601        8.9834038807
H        14.4047662013       12.2268561003        8.9827559950
H        14.9400163385       11.7079099136       10.5853784397
H        16.8133044379       11.5738985602        8.9471380798
H        16.6140371586       13.2728107915        8.5333276696
H        18.4974110196       13.0260766482       10.1394659312
H        17.4550672457       12.1761334209       11.2764972403
H        17.1438153049       15.0977867063       10.3825485563
H        17.6767162137       14.5563060224       11.9702099468
H        15.4596670304       13.5127531716       12.4104447162
H        15.2730190817       15.2222958603       12.0061388184
H        13.0681997343       16.1842388355       11.2824611053
H        11.4034262111       15.6136393677       11.4466802907
P        12.8513452343       13.7445254510       11.0129082752
Rh       12.3956114940       12.0774514743       12.5102129221
P        12.1302551549       13.7202924277       13.9848491517
C         9.4087302830       14.1481149656       13.3935228820
H         9.4688201064       13.2734798065       12.7275071751
H         9.7177000044       15.0177743106       12.7957104668
C        10.3790162086       13.9322279019       14.5712769712
H        10.3934098300       14.8502283025       15.1828727769
C        13.1468074568       13.5959969852       15.5341520665
H        12.8250966411       12.6426904628       15.9839084343
C         9.9168001513       12.7595684853       15.4570978455
H        10.5878800092       12.6347627681       16.3189140573
H         9.9741871012       11.8297596195       14.8710532585
C        14.6506019710       13.4741048461       15.2181069322
H        14.8137957580       12.6774297039       14.4782015466
H        15.0062559978       14.4059589884       14.7528645141
C        15.2139070026       14.3204054280       17.5405823917
H        15.6130313856       15.2728384827       17.1616085914
H        15.7649966999       14.1017629119       18.4669001836
C         7.9636906747       14.3423815088       13.8837583732
H         7.8947956120       15.2806111719       14.4542783520
H         7.2944084124       14.4579927498       13.0187946805
C        12.8944054308       14.7212716675       16.5593878904
H        11.8275486191       14.7899824718       16.8133130906
H        13.1785977713       15.6886902226       16.1183485241
C         7.5074107061       13.1729432118       14.7675584341
H         6.4867256787       13.3491594023       15.1371222057
H         7.4638574339       12.2539714832       14.1642927783
C        13.7161660109       14.4785603545       17.8403964436
H        13.5495530917       15.3057956369       18.5456456240
H        13.3437122869       13.5702394882       18.3371643945
C        15.4606456190       13.2178806307       16.4995861478
H        15.1755364009       12.2419494206       16.9210299878
H        16.5307054912       13.1494261189       16.2557913335
C         8.4715125855       12.9650004407       15.9441174698
H         8.1615559043       12.1024139245       16.5516016392
H         8.4336526573       13.8403600463       16.6094394071
C        12.5831003311       15.3812132017       13.2658214757
H        11.9755247245       16.1627373249       13.7431893568
H        13.6265075028       15.5617596717       13.5567505732
H        10.4954266829       10.2442229660       13.2553328121
H        12.0905019043       10.5871479811       15.0258745793
H        11.1041588261        9.5676284666       10.9922583287
H        12.7578159239        9.1062871200       11.5377916216
H        12.3926915096       10.7739216177       11.0536310758
H        14.5639778911       10.4984165023       14.6660395566
H        14.3693185680        9.8317146771       13.0342937276
H        13.9586474139        8.8490009968       14.4568780063
89
SCF Energy =  -327.432578098975512 (a.u.)
Lowest Frequencies =   25.032169  30.828440  35.096344 (cm^-1)
III+ (molecular, CP2K) / [1-(trans-2-butene)]+
C        12.1429064965        9.6038592778       11.4995047301
C        11.8553770368        9.7346159423       12.9664188638
C        12.8848466592        9.9196599403       13.8837223968
C        12.7019937833        9.7961085280       15.3694534673
C        11.8314131088       13.3710937709        9.4875504492
C        10.3345577069       13.1323717530        9.7727856324
C         9.5463769292       12.9424285687        8.4658009633
C         9.7426791982       14.1323242853        7.5147656606
C        11.2324573668       14.3792509046        7.2374541388
C        12.0300001841       14.5734010197        8.5411813089
C        14.5896558104       13.5691021039       10.5057360603
C        15.0273450006       12.2573791176        9.8212478063
C        16.4948744270       12.3278859314        9.3641333693
C        17.4307116997       12.6716422817       10.5316347083
C        16.9982914053       13.9760774936       11.2158908058
C        15.5316607249       13.9132392190       11.6761753066
C        12.4201319921       15.1227616084       11.8005182946
H        12.2233444913       12.4696901009        8.9867755231
H        14.6346413115       14.3877888935        9.7686155849
H        10.2139249953       12.2614460165       10.4354170339
H         9.9233945681       13.9935968204       10.3210107572
H         9.8818583866       12.0184952159        7.9714435265
H         8.4798835625       12.8015677358        8.6937696845
H         9.2996591294       15.0342721891        7.9622181294
H         9.2042452878       13.9593186370        6.5715006480
H        11.3650013589       15.2594478404        6.5916464558
H        11.6495939391       13.5247714898        6.6841357493
H        13.0944430083       14.7164860773        8.3079441243
H        11.6893990626       15.4919496250        9.0424160318
H        14.3791704623       12.0301498828        8.9625349546
H        14.9048216005       11.4310234225       10.5403782105
H        16.7839335999       11.3718714287        8.9040845534
H        16.5936306412       13.0907493625        8.5775371877
H        18.4686161104       12.7529460033       10.1772082258
H        17.4167812754       11.8518036238       11.2649416024
H        17.1243874080       14.8157617864       10.5162194439
H        17.6451658055       14.1939104472       12.0781799405
H        15.4164866152       13.1449416122       12.4563722316
H        15.2460528370       14.8730063686       12.1302877387
H        13.0526251922       15.9022945300       11.3537202357
H        11.3829618810       15.3439143867       11.5147832967
P        12.8187452024       13.4704976431       11.0573831033
Rh       12.4296329398       11.7698896772       12.5206960204
P        12.1294700279       13.3932429487       14.0179594150
C         9.4167957485       13.8427387863       13.3727485089
H         9.4965631639       13.0015432569       12.6672306962
H         9.7350930567       14.7425423217       12.8274173411
C        10.3582098931       13.5724239606       14.5624096527
H        10.3518348613       14.4590477238       15.2188305596
C        13.1012833933       13.3069099740       15.5957916606
H        12.6951476707       12.4215339897       16.1081758939
C         9.8754280082       12.3550707419       15.3742025157
H        10.5215787332       12.1906169778       16.2480908078
H         9.9590497051       11.4583680850       14.7406390729
C        14.5970618543       13.0502853178       15.3274235871
H        14.7131171992       12.1785910748       14.6659021098
H        15.0255936180       13.9073122851       14.7855518484
C        15.1757513003       14.0502546136       17.5877211712
H        15.6373196945       14.9435125427       17.1413794738
H        15.6997066120       13.8745324027       18.5385480191
C         7.9580891357       14.0072120239       13.8326635425
H         7.8696987690       14.9145421599       14.4487063735
H         7.3124790973       14.1656728695       12.9565191996
C        12.9081341289       14.5208598885       16.5299867607
H        11.8433079373       14.6805035598       16.7500992312
H        13.2692853613       15.4321852324       16.0308096194
C         7.4826775573       12.7924876068       14.6417694933
H         6.4516875256       12.9465542879       14.9921705895
H         7.4597195644       11.9057481986       13.9911223911
C        13.6862945269       14.3204402650       17.8445410038
H        13.5592250934       15.2058662892       18.4843392043
H        13.2493543364       13.4751343578       18.3967239606
C        15.3676509190       12.8537604375       16.6438486102
H        15.0138694820       11.9366590913       17.1396644830
H        16.4347459814       12.6962768806       16.4301702456
C         8.4164740210       12.5287206411       15.8311087045
H         8.0954656105       11.6351468583       16.3858607111
H         8.3555299687       13.3688691194       16.5388998444
C        12.5678541045       15.0707380004       13.3256625426
H        11.9592580283       15.8393720819       13.8220764725
H        13.6118611830       15.2495561150       13.6162694659
H        10.8320382955        9.5895028056       13.3137075508
H        13.9134364845        9.8150059668       13.5279485819
H        11.2815824516        9.2415767420       10.9269800760
H        13.0333997562        9.0033596603       11.2764383804
H        12.3614375359       10.6257594303       10.9815960233
H        11.6814956494       10.0414315754       15.6866230937
H        13.4090222814       10.4262783275       15.9234523808
H        12.9056445402        8.7557698601       15.6729007067
