42
22b + 2a, Energy: -737432.2450085
C         -0.74314       -0.18408       -1.11178
C         -1.84125       -0.95712       -0.66797
C         -3.03279       -1.02603       -1.43782
C         -1.77473       -1.70138        0.53820
C         -4.08504       -1.83090       -1.04425
H         -3.09814       -0.44234       -2.35652
C         -2.83809       -2.49052        0.94168
H         -0.86220       -1.64753        1.13310
C         -3.98737       -2.55816        0.14827
H         -4.98717       -1.89260       -1.64889
H         -2.78083       -3.06085        1.86623
H         -4.81914       -3.18766        0.46090
C         -3.15028        1.27579        1.22283
C         -1.91005        1.39273        1.78481
C         -1.07306        1.97906        0.79951
C         -1.85448        2.19097       -0.31361
O         -3.12478        1.77702       -0.04948
H         -1.63766        1.07677        2.78546
H         -0.02844        2.25674        0.89345
C         -1.63585        2.91987       -1.58218
H         -2.02612        3.94532       -1.52091
H         -0.56381        2.97794       -1.80395
H         -2.14340        2.42773       -2.42221
C         -4.44266        0.76293        1.71475
H         -4.35707        0.48745        2.77110
H         -5.23422        1.51667        1.61252
H         -4.76334       -0.12863        1.15437
H         -0.94503        0.34194       -2.05384
Au         1.18423       -0.15347       -0.39254
P          3.41717       -0.13120        0.40441
C          3.59200        0.56956        2.08028
H          3.00649       -0.02243        2.79292
H          4.64671        0.56132        2.38560
H          3.22136        1.60105        2.09490
C          4.59331        0.82816       -0.60649
H          5.59899        0.76448       -0.17031
H          4.61819        0.43020       -1.62711
H          4.28444        1.87873       -0.64732
C          4.18754       -1.77982        0.53001
H          5.20170       -1.68879        0.94107
H          3.58930       -2.42349        1.18471
H          4.24144       -2.24255       -0.46187
42
TS1, Energy: -737431.2092665
C          0.81752       -0.02397       -0.87077
C          1.83846        0.91988       -0.51733
C          3.02382        1.01406       -1.27926
C          1.68808        1.78660        0.59000
C          3.99505        1.96087       -0.97855
H          3.16207        0.33707       -2.12314
C          2.66224        2.71980        0.90030
H          0.78311        1.70827        1.19465
C          3.81546        2.81021        0.11208
H          4.89577        2.03087       -1.58569
H          2.53147        3.38574        1.75095
H          4.57762        3.54955        0.35280
C          3.56097       -1.32853        0.71548
C          2.66324       -1.13958        1.74480
C          1.42578       -1.60709        1.28049
C          1.60314       -2.02222       -0.03597
O          2.94088       -1.89801       -0.33949
H          2.88961       -0.69277        2.70586
H          0.47950       -1.62349        1.81145
C          0.83027       -2.96507       -0.88191
H          1.09581       -4.00386       -0.64405
H         -0.24346       -2.83566       -0.70356
H          1.02930       -2.80280       -1.94798
C          5.01295       -1.08482        0.60190
H          5.58176       -1.96687        0.92738
H          5.29295       -0.86674       -0.43441
H          5.30833       -0.24103        1.23551
H          1.04249       -0.53991       -1.81194
Au        -1.17457        0.05164       -0.29441
P         -3.46751        0.18842        0.28128
C         -3.89546       -0.47585        1.92606
H         -3.33789        0.05947        2.70291
H         -4.97180       -0.35846        2.10988
H         -3.63632       -1.53935        1.97826
C         -4.58866       -0.69352       -0.85571
H         -5.62893       -0.57466       -0.52502
H         -4.48466       -0.28862       -1.86878
H         -4.33772       -1.76003       -0.87769
C         -4.11968        1.89182        0.30939
H         -5.18519        1.88337        0.57451
H         -3.56946        2.48994        1.04448
H         -3.99711        2.35232       -0.67747
42
23b, Energy: -737427.3493428
C          0.99286       -0.15736       -0.77572
C          1.67199        1.11521       -0.37029
C          2.43735        1.81098       -1.31494
C          1.58142        1.64870        0.92297
C          3.09251        2.99503       -0.98238
H          2.52301        1.40991       -2.32631
C          2.24446        2.82477        1.26355
H          0.96576        1.14545        1.67104
C          3.00237        3.50529        0.31110
H          3.67824        3.51763       -1.73763
H          2.15539        3.22014        2.27472
H          3.51372        4.42998        0.57419
C          3.91788       -1.57514        0.30960
C          3.12502       -1.60343        1.52843
C          1.82353       -1.49446        1.22687
C          1.48348       -1.40016       -0.21420
O          2.95599       -1.48093       -0.65782
H          3.55377       -1.69695        2.52113
H          1.01737       -1.49938        1.95902
C          0.99788       -2.69705       -0.81307
H          1.71697       -3.50425       -0.63475
H          0.04927       -2.98415       -0.34282
H          0.83295       -2.58486       -1.89032
C          5.39371       -1.63632        0.29520
H          5.73176       -2.52651        0.84136
H          5.78223       -1.64907       -0.72545
H          5.79472       -0.76817        0.83609
H          0.95320       -0.25590       -1.87012
Au        -1.11651       -0.11186       -0.24432
P         -3.40781        0.06358        0.25263
C         -3.88582       -0.57268        1.89405
H         -3.34133       -0.03371        2.67751
H         -4.96493       -0.43799        2.04729
H         -3.64284       -1.63865        1.96691
C         -4.49803       -0.82786       -0.90568
H         -5.54689       -0.69885       -0.60709
H         -4.36191       -0.43621       -1.92009
H         -4.25190       -1.89567       -0.90629
C         -4.04267        1.77257        0.23608
H         -5.11447        1.77557        0.47479
H         -3.50600        2.37696        0.97589
H         -3.89195        2.21662       -0.75424
42
TS2, Energy: -737444.9971744
C          0.98486       -0.15590       -0.76929
C          1.65828        1.12051       -0.36643
C          2.42371        1.81577       -1.31140
C          1.56226        1.65814        0.92472
C          3.07368        3.00333       -0.98117
H          2.51357        1.41152       -2.32114
C          2.22013        2.83777        1.26302
H          0.94639        1.15526        1.67286
C          2.97818        3.51773        0.31028
H          3.65959        3.52543       -1.73664
H          2.12688        3.23631        2.27257
H          3.48548        4.44516        0.57155
C          3.91200       -1.55933        0.32888
C          3.11592       -1.58627        1.54564
C          1.81487       -1.48305        1.24017
C          1.47842       -1.39496       -0.20213
O          3.24738       -1.48735       -0.72938
H          3.54230       -1.67482        2.53982
H          1.00675       -1.48835        1.97015
C          0.99913       -2.69566       -0.79781
H          1.72064       -3.49963       -0.61475
H          0.05029       -2.98457       -0.32916
H          0.83674       -2.58780       -1.87590
C          5.38807       -1.61523        0.31870
H          5.72783       -2.50230        0.86886
H          5.77941       -1.63010       -0.70084
H          5.78448       -0.74377        0.85766
H          0.94853       -0.25836       -1.86344
Au        -1.12611       -0.11618       -0.24378
P         -3.41937        0.05270        0.24633
C         -3.89956       -0.57961        1.88865
H         -3.35916       -0.03597        2.67171
H         -4.97956       -0.44829        2.03849
H         -3.65294       -1.64443        1.96587
C         -4.50321       -0.84668       -0.91183
H         -5.55333       -0.72043       -0.61653
H         -4.36574       -0.45805       -1.92722
H         -4.25323       -1.91359       -0.90807
C         -4.06034        1.75931        0.22214
H         -5.13279        1.75927        0.45792
H         -3.52787        2.36819        0.96130
H         -3.90852        2.20048       -0.76931
42
24b-AuL,	Energy: -737303.5951507
C          1.05073       -0.30471       -1.00904
C          1.75097        0.91674       -0.55623
C          2.57060        1.57015       -1.48554
C          1.64946        1.44347        0.73884
C          3.29610        2.70133       -1.12290
H          2.65220        1.17215       -2.49752
C          2.36376        2.58195        1.09702
H          0.99621        0.96923        1.47245
C          3.19506        3.21042        0.17009
H          3.93798        3.18802       -1.85519
H          2.26590        2.98402        2.10417
H          3.75525        4.10010        0.45280
C          3.84855       -1.39768        0.50625
C          2.72168       -1.71541        1.42121
C          1.43801       -1.73916        1.03957
C          0.94994       -1.50980       -0.34044
O          3.78663       -1.64173       -0.69044
H          2.96563       -1.89336        2.46962
H          0.67638       -2.00101        1.77896
C          0.51315       -2.76121       -1.04595
H          1.40536       -3.38101       -1.21995
H         -0.17696       -3.35329       -0.43107
H          0.04049       -2.54782       -2.01151
C          5.04854       -0.76629        1.14171
H          5.49952       -1.46323        1.86238
H          5.78819       -0.49467        0.38333
H          4.75270        0.12491        1.71337
H          0.84991       -0.34843       -2.08514
Au        -1.12657       -0.22854       -0.23078
P         -3.32123        0.36243        0.31851
C         -3.62315        0.45137        2.11109
H         -2.94488        1.18022        2.56799
H         -4.66130        0.75777        2.29564
H         -3.44974       -0.52855        2.56905
C         -4.57942       -0.78553       -0.32111
H         -5.57959       -0.42837       -0.04209
H         -4.50975       -0.84672       -1.41257
H         -4.42217       -1.78498        0.09913
C         -3.79847        1.99686       -0.32360
H         -4.82959        2.22236       -0.02093
H         -3.12776        2.76576        0.07511
H         -3.73273        2.00367       -1.41697
42
25, Energy: -737437.1632709
C          1.65086        0.11776        0.33183
Au        -0.73651       -0.29554       -0.07705
P         -3.03231       -0.30633        0.04280
C         -3.81559       -1.56029       -1.01455
H         -3.47935       -2.56000       -0.71860
H         -4.90646       -1.49775       -0.90846
H         -3.54471       -1.39076       -2.06216
C         -3.65076       -0.63161        1.72145
H         -3.28622        0.13998        2.40847
H         -4.74877       -0.62351        1.71666
H         -3.29708       -1.60854        2.06840
C         -3.77393        1.27978       -0.44415
H         -3.50904        1.51628       -1.48049
H         -4.86641        1.21707       -0.35359
H         -3.40115        2.07831        0.20676
H          1.44279       -0.31773        1.31626
C          1.46101        1.59488        0.23094
C          1.24751        2.27210       -0.97614
C          1.50496        2.33530        1.41879
C          1.09076        3.65551       -0.99229
H          1.19450        1.72299       -1.91704
C          1.34457        3.71787        1.40081
H          1.66254        1.81825        2.36589
C          1.13935        4.38467        0.19434
H          0.92650        4.16370       -1.94117
H          1.38110        4.27567        2.33522
H          1.01571        5.46596        0.17850
C          2.48917       -2.69435        0.21737
C          1.45182       -2.35826       -0.56838
C          1.58944       -0.92905       -0.92721
C          2.87354       -0.52688       -0.28702
O          3.36406       -1.65747        0.41207
H          0.64953       -3.01763       -0.88132
H          1.32584       -0.53767       -1.91007
C          3.97424        0.27125       -0.90689
H          4.57550       -0.37450       -1.55716
H          3.58697        1.10088       -1.50555
H          4.62500        0.68716       -0.12740
C          2.84978       -3.96015        0.88776
H          2.11883       -4.74017        0.65356
H          3.84337       -4.29705        0.56472
H          2.88688       -3.82975        1.97693





