20
	CycloOctyne
H         -1.75920        0.61186        1.39086
C         -1.85331        0.56741        0.29147
H         -2.81396        1.05213        0.04332
C         -0.70066        1.38446       -0.34582
H         -0.59045        1.09831       -1.40769
H         -1.04439        2.43275       -0.36172
C          0.70074        1.38445        0.34580
H          1.04451        2.43273        0.36167
H          0.59052        1.09834        1.40769
C          1.85336        0.56734       -0.29145
H          1.75930        0.61181       -1.39085
H          2.81403        1.05200       -0.04326
C          1.95026       -0.92227        0.13716
H          2.68870       -1.45071       -0.48905
H          2.31316       -0.99527        1.17835
C          0.60621       -1.48777        0.03605
C         -0.60631       -1.48781       -0.03607
C         -1.95032       -0.92219       -0.13715
H         -2.31324       -0.99516       -1.17834
H         -2.68879       -1.45057        0.48906
10
	2-butyne
C          0.00034        0.00211        0.60692
C          0.00040       -0.00197       -0.60692
C         -0.00021       -0.00728       -2.06872
H         -0.09969        1.01360       -2.47363
H          0.93460       -0.43399       -2.46880
H         -0.83620       -0.60592       -2.46724
C         -0.00016        0.00722        2.06872
H         -0.08418        1.03235        2.46631
H         -0.84498       -0.57589        2.47159
H          0.92819       -0.43065        2.47179
7
	MeN3
C         -1.54590        0.28383        0.00000
H         -2.44613       -0.34276       -0.00007
H         -1.56104        0.92545        0.89892
H         -1.56097        0.92555       -0.89884
N         -0.39427       -0.63411        0.00000
N          0.71654       -0.09588        0.00000
N          1.79824        0.27125        0.00000
27
	MeN3cycloOctyneClickTS
N         -2.57936        0.25700       -0.23411
N         -2.61748       -0.98511       -0.05304
N         -1.91588       -1.91092        0.05948
C         -0.26023        0.34758       -0.00145
C          0.01059       -0.85695        0.09742
C          2.37478       -1.48161       -0.34252
H          2.28895       -1.35152       -1.43628
H          3.08351       -2.31450       -0.18810
C          2.98591       -0.20195        0.27245
H          2.79583       -0.18626        1.36197
H          4.07977       -0.30560        0.17125
C          2.61951        1.18087       -0.33878
H          3.53814        1.79106       -0.30353
H          2.39071        1.06238       -1.41429
C          1.51755        2.02793        0.33759
H          1.73357        3.09564        0.15628
H          1.57329        1.88476        1.43148
C          0.06436        1.77325       -0.12371
H         -0.62172        2.40091        0.46917
H         -0.05933        2.08999       -1.17543
H          1.11174       -2.21554        1.27903
C          1.00968       -1.93451        0.21449
H          0.67378       -2.84522       -0.30700
C         -3.75956        1.05926        0.07163
H         -3.47334        2.10904       -0.08120
H         -4.60065        0.83586       -0.60801
H         -4.10074        0.93883        1.11556
17
	MeN3butyneClickTS
N          1.31865       -0.25235       -0.11344
N          0.70736       -1.35180       -0.05434
N         -0.41154       -1.70935       -0.03214
C         -0.56872        1.01942       -0.00517
C         -1.43691        0.12930        0.01471
C          2.75946       -0.20910        0.10133
H          3.05472        0.84841        0.04686
H          3.05669       -0.59954        1.09131
H          3.31618       -0.75577       -0.68036
C         -2.81313       -0.40366        0.05596
H         -3.55413        0.41131        0.08265
H         -3.01537       -1.03396       -0.82414
H         -2.95841       -1.04040        0.94273
C          0.07251        2.34109       -0.02692
H          0.73451        2.48688        0.84153
H          0.67886        2.48009       -0.93573
H         -0.69363        3.13519       -0.00483
38
	Au-N3
Au        -1.71058       -0.37361       -0.02212
P          0.55449        0.01805        0.00473
N         -3.68742       -0.83087       -0.05545
N         -4.57234        0.00781        0.01415
N         -5.48303        0.70944        0.07322
C          0.99745        1.70782       -0.59376
C          2.13187        1.94913       -1.38457
C          0.16447        2.78178       -0.23545
C          2.43044        3.24912       -1.80461
H          2.77979        1.12319       -1.68286
C          0.47050        4.07851       -0.65265
H         -0.73046        2.60042        0.36412
C          1.60333        4.31422       -1.43843
H          3.31223        3.42691       -2.42430
H         -0.18500        4.90525       -0.37081
H          1.83668        5.32798       -1.77151
C          1.51375       -1.14592       -1.06163
C          2.75418       -1.67489       -0.67224
C          0.96967       -1.50659       -2.30678
C          3.44313       -2.54617       -1.52198
H          3.18225       -1.41574        0.29745
C          1.66507       -2.37106       -3.15410
H         -0.00451       -1.11500       -2.60881
C          2.90251       -2.89299       -2.76288
H          4.40536       -2.95710       -1.20828
H          1.23284       -2.64569       -4.11869
H          3.44143       -3.57630       -3.42300
C          1.31138       -0.11892        1.68387
C          2.36106        0.71420        2.10276
C          0.81615       -1.09912        2.56075
C          2.91189        0.56082        3.37869
H          2.74476        1.49069        1.43874
C          1.37434       -1.25256        3.83149
H         -0.01533       -1.73616        2.25037
C          2.42230       -0.42271        4.24257
H          3.72453        1.21693        3.69849
H          0.98089       -2.01613        4.50587
H          2.85195       -0.53757        5.24023
58
	Au-N3cycloOctyneClickTS
Au         0.23107        0.49251       -0.01199
P         -2.00112       -0.07875        0.00832
N          2.21044        0.92609       -0.02553
N          2.65282        2.08582       -0.08542
N          3.64110        2.71606       -0.13411
C          4.21708       -0.01219       -0.04050
C          4.97980        0.96753       -0.08788
C          7.37070        0.55307        0.48301
H          7.16621        0.42996        1.56209
H          8.36334        1.03390        0.41247
C          7.46199       -0.84199       -0.17523
H          7.36100       -0.74092       -1.27228
H          8.49526       -1.19390       -0.00995
C          6.52876       -1.97881        0.32703
H          7.11819       -2.91080        0.27345
H          6.31353       -1.83168        1.40204
C          5.21115       -2.25720       -0.43143
H          4.97015       -3.33087       -0.32805
H          5.37256       -2.08134       -1.51037
C          3.97015       -1.46033        0.02283
H          3.10384       -1.74584       -0.59869
H          3.70564       -1.74447        1.05920
H          6.61453        1.77399       -1.15571
C          6.33961        1.53296       -0.11139
H          6.37851        2.49024        0.43455
C         -2.52482       -0.98030        1.53335
C         -3.76967       -0.76395        2.14504
C         -1.63679       -1.91721        2.08942
C         -4.12263       -1.48262        3.29159
H         -4.46317       -0.02822        1.73422
C         -1.99683       -2.63732        3.23000
H         -0.65714       -2.07588        1.63264
C         -3.24002       -2.42085        3.83326
H         -5.09115       -1.30371        3.76396
H         -1.29866       -3.36189        3.65459
H         -3.51702       -2.97835        4.73080
C         -3.11035        1.39399       -0.09477
C         -4.30260        1.38520       -0.83548
C         -2.73910        2.55702        0.60230
C         -5.11499        2.52286       -0.87037
H         -4.59593        0.49442       -1.39339
C         -3.55676        3.68818        0.56854
H         -1.80383        2.57876        1.16643
C         -4.74567        3.67310       -0.16802
H         -6.03852        2.50885       -1.45353
H         -3.25777        4.58709        1.11187
H         -5.38041        4.56146       -0.20043
C         -2.50409       -1.17010       -1.39567
C         -3.45869       -2.18925       -1.25102
C         -1.90473       -0.95875       -2.64940
C         -3.81374       -2.97885       -2.34912
H         -3.92089       -2.37512       -0.28007
C         -2.26778       -1.74571       -3.74415
H         -1.14609       -0.18120       -2.76491
C         -3.22210       -2.75733       -3.59571
H         -4.55359       -3.77304       -2.22629
H         -1.79529       -1.57355       -4.71359
H         -3.49894       -3.37805       -4.45083
58
	AuN1
Au         0.42349        0.43252        0.06464
P         -1.82653       -0.05582       -0.02821
N          2.40070        0.93788        0.12210
N          2.73736        2.17249       -0.33382
N          4.03195        2.33023       -0.20544
C          3.52350        0.29405        0.55779
C          4.55473        1.19584        0.34394
C          6.75361        0.26747       -0.55007
H          7.76237       -0.01361       -0.19412
H          6.90580        0.98404       -1.37611
C          6.05046       -0.97348       -1.12902
H          5.15537       -0.65196       -1.68822
H          6.72974       -1.40819       -1.88268
C          5.64550       -2.08113       -0.12298
H          5.94312       -3.05788       -0.54188
H          6.22606       -1.97932        0.81325
C          4.14453       -2.18464        0.21493
H          3.97347       -3.15625        0.71345
H          3.56698       -2.21666       -0.72741
C          3.55217       -1.09043        1.12961
H          2.52328       -1.38275        1.40182
H          4.12575       -1.07755        2.07521
H          6.49353        1.96155        0.77973
C          6.01380        0.98629        0.60023
H          6.13352        0.40123        1.52982
C         -2.43670       -0.98820        1.44387
C         -1.92931       -0.64059        2.70796
C         -3.38677       -2.01622        1.34071
C         -2.37785       -1.30345        3.85180
H         -1.17644        0.14632        2.79458
C         -3.82789       -2.68111        2.48931
H         -3.77864       -2.30660        0.36444
C         -3.32719       -2.32519        3.74431
H         -1.97693       -1.02630        4.82910
H         -4.56404       -3.48305        2.39941
H         -3.67131       -2.84840        4.63923
C         -2.29888       -1.08222       -1.48826
C         -3.47804       -0.85738       -2.21536
C         -1.43757       -2.12398       -1.87421
C         -3.79341       -1.67055       -3.30857
H         -4.14817       -0.04232       -1.93737
C         -1.76064       -2.93712       -2.96192
H         -0.50770       -2.29239       -1.32610
C         -2.93878       -2.71118       -3.68139
H         -4.71018       -1.48457       -3.87248
H         -1.08382       -3.74264       -3.25464
H         -3.18595       -3.34204       -4.53810
C         -2.87039        1.46215       -0.11961
C         -4.14652        1.52651        0.46320
C         -2.36315        2.58208       -0.80088
C         -4.90785        2.69378        0.35504
H         -4.54458        0.67074        1.01154
C         -3.13049        3.74401       -0.90917
H         -1.36203        2.54997       -1.23719
C         -4.40286        3.80145       -0.33224
H         -5.89746        2.73777        0.81529
H         -2.72546        4.60994       -1.43684
H         -4.99804        4.71398       -0.41067
58
	AuN1toN2isomerizationTS
Au         0.33908        0.18336       -0.34676
P         -1.89328       -0.02630        0.01630
N          2.56462       -0.21762       -0.61474
N          2.37147        1.11940       -0.86740
N          3.30619        1.85199       -0.28192
C          3.67304       -0.31617        0.15443
C          4.15060        0.98834        0.32910
C          6.66334        1.33044        0.08702
H          7.56393        1.47052        0.71332
H          6.63731        2.18368       -0.61313
C          6.81178        0.04309       -0.74364
H          6.03379        0.02566       -1.52578
H          7.77120        0.11766       -1.28414
C          6.77689       -1.29800        0.03299
H          7.60188       -1.93315       -0.33292
H          6.99788       -1.12616        1.10353
C          5.48585       -2.13045       -0.09772
H          5.69670       -3.14792        0.27868
H          5.23892       -2.24425       -1.16897
C          4.23653       -1.61472        0.64891
H          3.44726       -2.38090        0.57983
H          4.48465       -1.51800        1.72245
H          5.31312        2.43454        1.37785
C          5.42085        1.40463        1.00245
H          5.58116        0.76029        1.88519
C         -2.69647       -1.26441       -1.09575
C         -1.99278       -2.44400       -1.39479
C         -3.97363       -1.06654       -1.64361
C         -2.56675       -3.41669       -2.21540
H         -0.98897       -2.59416       -0.99082
C         -4.54082       -2.04099       -2.47096
H         -4.52553       -0.14880       -1.43479
C         -3.84144       -3.21670       -2.75546
H         -2.01045       -4.32869       -2.44237
H         -5.53272       -1.87551       -2.89747
H         -4.28553       -3.97419       -3.40517
C         -2.83915        1.54220       -0.22567
C         -4.00223        1.83169        0.50673
C         -2.37679        2.46389       -1.17972
C         -4.69713        3.02276        0.27757
H         -4.36243        1.13424        1.26523
C         -3.07823        3.64974       -1.40882
H         -1.45757        2.25861       -1.73319
C         -4.23866        3.93089       -0.68125
H         -5.59738        3.24277        0.85581
H         -2.70794        4.36085       -2.15026
H         -4.78085        4.86314       -0.85481
C         -2.30250       -0.56934        1.73393
C         -3.31251       -1.50536        2.00437
C         -1.57237       -0.01396        2.79903
C         -3.59176       -1.87424        3.32447
H         -3.87814       -1.95536        1.18680
C         -1.85992       -0.38051        4.11480
H         -0.77187        0.70122        2.59567
C         -2.86957       -1.31196        4.37992
H         -4.37615       -2.60749        3.52522
H         -1.28609        0.05638        4.93490
H         -3.08776       -1.60416        5.40955
58
	AuN2
Au        -0.28038       -0.02571       -0.21569
P          2.00381        0.00157        0.05186
N         -3.02848       -1.17103       -0.46002
N         -2.30288       -0.04483       -0.44411
N         -3.02823        1.07058       -0.61175
C         -4.29423       -0.76540       -0.64592
C         -4.29210        0.64170       -0.74319
C         -6.18626        1.89720        0.41031
H         -7.14055        2.40013        0.16641
H         -5.57759        2.63825        0.95791
C         -6.45756        0.71604        1.35891
H         -5.49980        0.36103        1.77633
H         -7.02384        1.11577        2.21800
C         -7.22781       -0.49184        0.76709
H         -8.01666       -0.78434        1.48140
H         -7.76712       -0.18919       -0.15049
C         -6.39544       -1.75746        0.48010
H         -7.09709       -2.59701        0.32441
H         -5.80857       -2.01219        1.38161
C         -5.44818       -1.72013       -0.73775
H         -5.03395       -2.72932       -0.89076
H         -6.04589       -1.48581       -1.63897
H         -5.14722        2.48281       -1.40265
C         -5.46962        1.54996       -0.91367
H         -6.18834        1.06740       -1.59949
C          2.89615       -1.07809       -1.15123
C          2.41088       -1.14738       -2.46856
C          4.03434       -1.81859       -0.79533
C          3.06531       -1.93447       -3.41796
H          1.51317       -0.59087       -2.74753
C          4.68237       -2.60996       -1.74885
H          4.41226       -1.78777        0.22803
C          4.20157       -2.66716       -3.05971
H          2.67878       -1.98326       -4.43817
H          5.56427       -3.18713       -1.46202
H          4.70738       -3.28950       -3.80131
C          2.54778       -0.57123        1.72061
C          3.62620        0.01392        2.40235
C          1.84907       -1.63564        2.31634
C          4.00469       -0.46693        3.65976
H          4.16712        0.85188        1.95938
C          2.23554       -2.11595        3.56902
H          0.99509       -2.08247        1.80182
C          3.31332       -1.53220        4.24284
H          4.84151       -0.00209        4.18588
H          1.68499       -2.94217        4.02387
H          3.60890       -1.90316        5.22679
C          2.73184        1.68397       -0.16060
C          3.99537        1.88545       -0.73870
C          1.98825        2.79270        0.27925
C          4.51066        3.17905       -0.86426
H          4.57569        1.03528       -1.10156
C          2.51016        4.08199        0.15582
H          0.99442        2.64661        0.70859
C          3.77149        4.27718       -0.41565
H          5.49235        3.32730       -1.31972
H          1.92287        4.93684        0.49767
H          4.17472        5.28704       -0.51925
17
	AuP(CH3)3N3
Au         0.39796       -0.18264       -0.00001
P         -1.86534        0.15622       -0.00005
N          2.38095       -0.59740        0.00014
N          3.25642        0.25380       -0.00000
N          4.15981        0.96684       -0.00011
C         -2.35003        1.93416       -0.00026
H         -1.93144        2.42296       -0.89238
H         -3.44612        2.04501        0.00036
H         -1.93044        2.42341        0.89112
C         -2.75624       -0.54923        1.45226
H         -3.83720       -0.34566        1.38977
H         -2.58879       -1.63591        1.48734
H         -2.35064       -0.10698        2.37415
C         -2.75653       -0.54981       -1.45189
H         -2.58957       -1.63659       -1.48618
H         -3.83740       -0.34570       -1.38961
H         -2.35066       -0.10840       -2.37406
37
	AuP(CH3)3N3cycloOctyneClickTS
Au         1.38294       -0.23968        0.00331
P          3.57721        0.42816        0.02754
N         -0.57257       -0.76077       -0.01687
N         -0.96758       -1.93746       -0.07809
N         -1.92885       -2.60735       -0.13100
C         -2.61478        0.09635       -0.04339
C         -3.33823       -0.91252       -0.09208
C         -5.74276       -0.59322        0.48019
H         -5.54117       -0.46478        1.55919
H         -6.71575       -1.11262        0.41003
C         -5.89114        0.79903       -0.17393
H         -5.79183        0.70453       -1.27175
H         -6.93649        1.10994       -0.00262
C         -5.00065        1.97052        0.32671
H         -5.62569        2.87913        0.27560
H         -4.77685        1.83070        1.40093
C         -3.69652        2.29969       -0.43486
H         -3.49791        3.38217       -0.33317
H         -3.85274        2.11628       -1.51330
C         -2.42462        1.55294        0.01885
H         -1.57051        1.87152       -0.60365
H         -2.17046        1.84826        1.05462
H         -4.94040       -1.77772       -1.16346
C         -4.67490       -1.53040       -0.11820
H         -4.67695       -2.49049        0.42416
C          4.77604       -0.95869       -0.16844
H          5.81310       -0.58751       -0.15140
H          4.63087       -1.68155        0.64794
H          4.58449       -1.47109       -1.12277
C          4.12450        1.27045        1.57430
H          3.96677        0.59535        2.42835
H          5.18855        1.55042        1.51685
H          3.51518        2.17302        1.73019
C          4.04660        1.61056       -1.30786
H          5.11276        1.88014       -1.24078
H          3.84451        1.14899       -2.28567
H          3.43217        2.51890       -1.22040
37
	AuP(CH3)3N3cycloOctyneProduct
Au        -1.10464       -0.23902       -0.03007
P         -3.32039        0.33805        0.10924
N          0.85118       -0.81280       -0.12452
N          1.14794       -2.06495        0.31211
N          2.43608       -2.26293        0.17888
C          1.99437       -0.19955       -0.55218
C          2.99546       -1.13789       -0.35384
C          5.22179       -0.29502        0.55524
H          6.23968       -0.04175        0.20453
H          5.34956       -1.02864        1.37040
C          4.55820        0.95929        1.15175
H          3.65135        0.65859        1.70348
H          5.24904        1.36003        1.91361
C          4.19253        2.09425        0.16112
H          4.52292        3.05442        0.59341
H          4.77021        1.98502       -0.77605
C          2.69611        2.25303       -0.17544
H          2.55833        3.23618       -0.66155
H          2.11947        2.29271        0.76713
C          2.06772        1.19123       -1.10416
H          1.04839        1.52017       -1.37073
H          2.63934        1.17283       -2.05090
H          4.90885       -1.95945       -0.80064
C          4.46073       -0.97207       -0.60665
H          4.59995       -0.37692       -1.52695
C         -4.13260       -0.16904        1.68367
H         -5.19335        0.12808        1.69293
H         -4.05496       -1.26063        1.79551
H         -3.61021        0.30291        2.52887
C         -4.38528       -0.39591       -1.20376
H         -4.31663       -1.49267       -1.15385
H         -5.43504       -0.08614       -1.07874
H         -4.02045       -0.07098       -2.18935
C         -3.64965        2.14772       -0.00577
H         -4.72912        2.35464        0.06652
H         -3.12101        2.66517        0.80833
H         -3.26657        2.52671       -0.96474
30
	Re-N3
Re         0.99418       -0.00007        0.00922
N          0.39476       -0.00047        2.11298
C          1.40723        0.00011       -1.87591
O          1.61348        0.00077       -3.02141
C          2.33072        1.35785        0.31312
C          2.33049       -1.35835        0.31256
C         -0.68955       -2.67443       -0.22254
H          0.30911       -3.09586       -0.11158
C         -1.80845       -3.49222       -0.33254
H         -1.68895       -4.57571       -0.31021
C         -3.06358       -2.89541       -0.46525
H         -3.96630       -3.50252       -0.55119
C         -3.14773       -1.50724       -0.47935
H         -4.11805       -1.02251       -0.56940
C         -1.98154       -0.73974       -0.36271
C         -1.98140        0.74024       -0.36256
C         -3.14744        1.50800       -0.47909
H         -4.11784        1.02347       -0.56932
C         -3.06303        2.89615       -0.46468
H         -3.96563        3.50345       -0.55053
C         -1.80779        3.49268       -0.33177
H         -1.68808        4.57615       -0.30917
C         -0.68905        2.67466       -0.22190
H          0.30968        3.09587       -0.11078
N         -0.76217       -1.32822       -0.24245
N         -0.76192        1.32847       -0.24212
O          3.09780        2.21048        0.48905
O          3.09737       -2.21114        0.48855
N         -0.76152       -0.00068        2.46606
N         -1.85766       -0.00077        2.84512
50
	Re-N3cycloOctyneClickTS
Re         0.90976       -1.01006       -0.16878
N         -0.74206        0.27276        0.33933
C          2.47835       -2.05766       -0.62622
O          3.43799       -2.65395       -0.90254
C          0.33403       -2.38920        1.05075
C         -0.07870       -1.86731       -1.58591
C          1.37779        0.94880       -2.61375
H          0.83057        0.15378       -3.11960
C          1.78115        2.09204       -3.29601
H          1.54955        2.19723       -4.35621
C          2.47106        3.08151       -2.59456
H          2.80198        3.99441       -3.09256
C          2.72794        2.88774       -1.24053
H          3.25909        3.65094       -0.67445
C          2.29199        1.71436       -0.61219
C          2.51725        1.43208        0.82254
C          3.18677        2.31258        1.68189
H          3.56909        3.26137        1.30944
C          3.35505        1.97459        3.02154
H          3.87147        2.65533        3.70039
C          2.84917        0.75605        3.47613
H          2.95076        0.44582        4.51642
C          2.19503       -0.07363        2.57120
H          1.77851       -1.03108        2.88242
N          1.62517        0.75307       -1.30403
N          2.02994        0.24609        1.27313
O          0.01172       -3.19677        1.82014
O         -0.65914       -2.34609       -2.47014
N         -0.72838        1.49383        0.50035
N         -1.38201        2.46545        0.63748
H         -5.44532        1.92965       -1.24466
C         -5.63521        2.02886       -0.16033
H         -6.35464        2.86095       -0.05020
C         -6.31059        0.73750        0.35241
H         -6.24079        0.69730        1.45587
H         -7.38737        0.84526        0.13326
C         -5.87863       -0.63164       -0.24225
H         -6.79039       -1.25277       -0.28446
H         -5.57009       -0.49557       -1.29578
C         -4.81708       -1.47037        0.50502
H         -4.94083       -1.32118        1.59284
H         -5.02136       -2.53977        0.31656
C         -3.34201       -1.21131        0.13209
H         -2.69496       -1.86241        0.74406
H         -3.16483       -1.51361       -0.91695
C         -2.99021        0.20626        0.30779
C         -3.29904        1.40161        0.45285
C         -4.32750        2.45348        0.53723
H         -4.53180        2.67890        1.60138
H         -3.96343        3.39799        0.09893
50
	ReN1
Re        -0.75816       -1.01875        0.10847
N          0.90149        0.35543       -0.29078
C         -2.33265       -2.10268        0.45866
O         -3.27648       -2.74582        0.66746
C         -0.20016       -2.29226       -1.22815
C          0.19913       -2.00129        1.46448
C         -1.26507        0.69800        2.71746
H         -0.72155       -0.13616        3.16027
C         -1.68528        1.77345        3.49394
H         -1.46800        1.78550        4.56227
C         -2.37500        2.81464        2.87330
H         -2.72080        3.67732        3.44537
C         -2.61562        2.73805        1.50419
H         -3.14780        3.54325        1.00126
C         -2.15678        1.63282        0.77940
C         -2.36818        1.47704       -0.67595
C         -3.04182        2.42322       -1.45614
H         -3.43206        3.33264       -1.00313
C         -3.19834        2.20684       -2.82236
H         -3.71399        2.94368       -3.44061
C         -2.68330        1.03751       -3.38138
H         -2.77535        0.82145       -4.44605
C         -2.03283        0.13258       -2.54840
H         -1.61184       -0.79184       -2.94285
N         -1.49185        0.61963        1.39319
N         -1.87621        0.33710       -1.22730
O          0.09171       -3.03886       -2.06901
O          0.74475       -2.56507        2.32133
N          0.59360        1.67061       -0.36476
N          1.67107        2.36278       -0.63256
H          4.50659        2.33625        1.07714
C          5.07234        2.08512        0.16195
H          5.78569        2.91478        0.00812
C          5.89988        0.81355        0.39787
H          6.56809        0.65099       -0.47008
H          6.56943        1.00641        1.25554
C          5.12869       -0.48865        0.66981
H          5.84267       -1.21521        1.09382
H          4.37802       -0.31292        1.46192
C          4.44677       -1.12876       -0.56623
H          4.80049       -0.63930       -1.48889
H          4.76917       -2.17951       -0.65369
C          2.91184       -1.13614       -0.53770
H          2.55074       -1.71497       -1.40691
H          2.58684       -1.70702        0.34940
C          2.24435        0.21014       -0.52531
C          2.72435        1.50145       -0.74384
C          4.08819        2.06964       -1.03039
H          4.56232        1.57352       -1.89531
H          3.90353        3.11104       -1.33670
50
	ReN1toN2isomerizationTS
Re         1.25240       -0.91485        0.00127
N         -1.07307       -0.94236       -0.94249
C          2.89227       -1.18430        0.91705
O          3.89021       -1.34343        1.49808
C          0.54953       -2.50745        0.83111
C          1.87267       -1.98474       -1.48813
C          2.73849        1.24422       -1.80294
H          3.03116        0.33847       -2.33331
C          3.13364        2.49990       -2.25207
H          3.75160        2.58380       -3.14649
C          2.71657        3.62610       -1.54090
H          3.00279        4.62919       -1.86169
C          1.92148        3.44985       -0.41306
H          1.58014        4.31593        0.15107
C          1.55722        2.15631       -0.01760
C          0.71842        1.87754        1.16745
C          0.20869        2.88399        1.99755
H          0.40696        3.93049        1.77390
C         -0.56165        2.54492        3.10493
H         -0.96398        3.32383        3.75498
C         -0.81070        1.19606        3.36360
H         -1.41130        0.87611        4.21535
C         -0.27705        0.24452        2.50218
H         -0.44699       -0.81923        2.66364
N          1.97392        1.06738       -0.71064
N          0.47890        0.56427        1.43180
O          0.12424       -3.43793        1.37801
O          2.25493       -2.58498       -2.40128
N         -0.53748        0.21435       -1.40842
N         -1.34484        1.23590       -1.17213
H         -4.38865        1.36939       -2.29541
C         -4.79971        1.53545       -1.28388
H         -5.32301        2.50773       -1.32376
C         -5.85660        0.46483       -0.97169
H         -6.36611        0.72533       -0.02343
H         -6.63389        0.53434       -1.75371
C         -5.38752       -0.99830       -0.88656
H         -6.28393       -1.63695       -0.96197
H         -4.77347       -1.24067       -1.77251
C         -4.61861       -1.37658        0.40526
H         -4.71896       -0.56670        1.14862
H         -5.09655       -2.25511        0.87014
C         -3.13493       -1.71865        0.20918
H         -2.71342       -2.02242        1.18632
H         -3.04863       -2.61495       -0.42969
C         -2.28190       -0.63798       -0.39586
C         -2.46057        0.74070       -0.56534
C         -3.61591        1.66680       -0.29658
H         -3.98491        1.56367        0.73900
H         -3.20865        2.68644       -0.38393
50
	ReN2
Re         1.36919       -0.84553       -0.14926
N         -1.59613       -1.68947        0.29386
C          3.27711       -0.89764       -0.51740
O          4.41820       -0.91292       -0.73755
C          1.55927       -2.28763        1.12343
C          1.04728       -2.14430       -1.54513
C          0.80638        0.97793       -2.66715
H          0.80929        0.00155       -3.15079
C          0.55032        2.13837       -3.38988
H          0.34975        2.07453       -4.45970
C          0.55601        3.36035       -2.71588
H          0.36086        4.29397       -3.24632
C          0.81396        3.37019       -1.34814
H          0.81930        4.31289       -0.80380
C          1.05572        2.16495       -0.67790
C          1.33342        2.08508        0.77189
C          1.37907        3.20769        1.60700
H          1.20071        4.20231        1.20202
C          1.64271        3.04835        2.96437
H          1.67502        3.91652        3.62494
C          1.86065        1.76218        3.45972
H          2.06619        1.58140        4.51512
C          1.80960        0.68992        2.57522
H          1.96983       -0.33174        2.91849
N          1.05826        0.98053       -1.34385
N          1.55812        0.83716        1.26029
O          1.68238       -3.11541        1.92588
O          0.85168       -2.88180       -2.41776
N         -0.75014       -0.65699        0.25981
N         -1.35084        0.51115        0.50335
H         -3.88441        1.69100       -1.15209
C         -4.50868        1.73301       -0.24120
H         -4.80741        2.79073       -0.12457
C         -5.79507        0.92115       -0.46105
H         -6.48638        1.10444        0.38427
H         -6.29873        1.34027       -1.35087
C         -5.65286       -0.59926       -0.65296
H         -6.59238       -0.96514       -1.10088
H         -4.86565       -0.80441       -1.40079
C         -5.37230       -1.40438        0.64186
H         -5.51212       -0.75210        1.52102
H         -6.13160       -2.19693        0.75020
C         -3.99589       -2.07953        0.71502
H         -3.92557       -2.62947        1.67177
H         -3.92024       -2.85156       -0.07057
C         -2.80509       -1.17020        0.57944
C         -2.65306        0.22551        0.71199
C         -3.62392        1.34619        0.96766
H         -4.26220        1.13119        1.84191
H         -3.01399        2.22184        1.24100
98
	Ru-N3
Ru        -0.03444       -0.81044       -0.38827
P          1.83299        0.78064       -0.06452
P         -1.95815        0.60011        0.12438
N          1.46699       -3.45277       -0.40225
N          1.40522       -2.24699       -1.02195
N         -0.97212       -3.68737       -0.01400
N         -1.34678       -2.52315       -0.61680
N          0.48221       -2.81231        1.83423
N          0.27221       -1.48382        1.63034
N         -0.30647       -0.28616       -2.43827
N         -0.52890       -1.12192       -3.29142
N         -0.74911       -1.85360       -4.16073
B          0.40827       -3.81225        0.66439
C          2.36972       -4.24443       -1.02826
H          2.54485       -5.25856       -0.67986
C          2.91947       -3.53117       -2.08519
H          3.67577       -3.86209       -2.78989
C          2.27463       -2.28399       -2.04093
H          2.39507       -1.41944       -2.68596
C         -1.84527       -4.67222       -0.32725
H         -1.69599       -5.67727        0.05771
C         -2.82351       -4.14427       -1.15685
H         -3.67416       -4.65496       -1.59702
C         -2.45895       -2.79726       -1.31645
H         -2.93840       -2.02876       -1.90887
C          0.71338       -3.05257        3.14645
H          0.89584       -4.06567        3.49389
C          0.65596       -1.84429        3.82777
H          0.78960       -1.67059        4.89095
C          0.37309       -0.89350        2.83271
H          0.23569        0.17704        2.92978
C          3.47743       -0.11778        0.07657
C          3.60696       -1.18856        0.98023
H          2.75642       -1.49917        1.58384
C          4.82099       -1.86344        1.12099
H          4.89537       -2.68995        1.83148
C          5.92933       -1.49180        0.35386
H          6.87715       -2.02473        0.45982
C          5.81122       -0.43581       -0.55054
H          6.66723       -0.13458       -1.15926
C          4.59779        0.24817       -0.68601
H          4.53360        1.06995       -1.39818
C          2.26712        2.06257       -1.35713
C          2.00654        1.78086       -2.70940
H          1.45704        0.87360       -2.96779
C          2.38818        2.68267       -3.70858
H          2.17247        2.44808       -4.75374
C          3.03105        3.87757       -3.37414
H          3.32724        4.58176       -4.15547
C          3.29066        4.16745       -2.03111
H          3.79227        5.09886       -1.75728
C          2.91499        3.26726       -1.03001
H          3.13479        3.50816        0.01034
C          1.88948        1.83963        1.48862
C          0.93670        2.86240        1.64503
H          0.18798        3.03204        0.87247
C          0.94984        3.69252        2.76872
H          0.20589        4.48814        2.85650
C          1.91010        3.51155        3.76867
H          1.92001        4.15867        4.64886
C          2.86165        2.50018        3.62514
H          3.62374        2.34975        4.39364
C          2.85647        1.67593        2.49402
H          3.62069        0.90554        2.40224
C         -1.98902        2.42206       -0.29504
C         -1.16062        2.86663       -1.33650
H         -0.48778        2.16243       -1.82372
C         -1.21991        4.19329       -1.77737
H         -0.56307        4.51786       -2.58731
C         -2.11129        5.09098       -1.18671
H         -2.15486        6.12860       -1.52612
C         -2.96408        4.64842       -0.16933
H         -3.68314        5.33666        0.28182
C         -2.91456        3.32170        0.26471
H         -3.61528        2.98751        1.03084
C         -2.48212        0.46500        1.90347
C         -2.31611        1.48961        2.84853
H         -1.92515        2.45995        2.54547
C         -2.63073        1.27882        4.19606
H         -2.49218        2.09154        4.91312
C         -3.11500        0.04099        4.62254
H         -3.36444       -0.12096        5.67370
C         -3.26484       -0.99454        3.69456
H         -3.62352       -1.97447        4.01745
C         -2.94110       -0.78859        2.35259
H         -3.03499       -1.61705        1.64792
C         -3.55110        0.23467       -0.81280
C         -3.50652        0.35395       -2.21502
H          0.58223       -4.93836        1.07035
C         -4.77871       -0.05827       -0.20190
C         -5.93032       -0.25027       -0.97537
C         -5.87405       -0.14623       -2.36583
C         -4.65641        0.16163       -2.98256
H         -2.55888        0.58534       -2.70380
H         -4.85529       -0.13413        0.88221
H         -6.87646       -0.48069       -0.47941
H         -4.59647        0.24994       -4.06971
H         -6.77350       -0.29869       -2.96691
118
	Ru-N3cycloOctyneClickTS
Ru         0.61268        0.14490       -0.76875
P         -0.15403        2.05415        0.68248
P          0.92528       -1.87419        0.72024
N          1.76612        1.65694       -3.13282
N          0.62492        1.54985       -2.39339
N          2.37188       -0.74271       -3.06280
N          1.30235       -1.13751       -2.32220
N          3.47174        0.86847       -1.45685
N          2.64616        0.69622       -0.39287
N         -1.36088       -0.38492       -1.32460
N         -1.76088       -0.44149       -2.48263
N         -2.72561       -0.64646       -3.15545
B          2.94122        0.68165       -2.89456
C          1.56266        2.50296       -4.17079
H          2.36176        2.70040       -4.88009
C          0.25672        2.96654       -4.10948
H         -0.23793        3.65927       -4.78303
C         -0.29209        2.33134       -2.98280
H         -1.29475        2.39887       -2.57884
C          2.60729       -1.64392       -4.04596
H          3.41976       -1.48654       -4.74981
C          1.66948       -2.66093       -3.94209
H          1.57206       -3.54452       -4.56482
C          0.86914       -2.29115       -2.84843
H          0.01249       -2.80159       -2.42238
C          4.71288        1.20921       -1.03494
H          5.50664        1.38960       -1.75438
C          4.70260        1.26087        0.35304
H          5.52584        1.50703        1.01642
C          3.38207        0.93509        0.70585
H          2.93671        0.84861        1.69160
H          3.82838        0.88293       -3.69129
H         -5.46392        0.45154        0.91546
C         -5.22517       -0.57666        1.24343
H         -5.23748       -0.55600        2.34881
C         -6.34179       -1.53281        0.77457
H         -5.98682       -2.57822        0.84989
H         -7.15395       -1.44725        1.51798
C         -7.00000       -1.31317       -0.61113
H         -8.03691       -1.68142       -0.51897
H         -7.09364       -0.22781       -0.80629
C         -6.39758       -2.01156       -1.84958
H         -6.01543       -3.00614       -1.55421
H         -7.21772       -2.20275       -2.56515
C         -5.29859       -1.25678       -2.61566
H         -5.01996       -1.82262       -3.52029
H         -5.69838       -0.29414       -2.98772
C         -4.09123       -0.99370       -1.79836
C         -3.60441       -0.89881       -0.64719
C         -3.78375       -0.92411        0.81529
H         -3.52400       -1.92671        1.20004
H         -3.08871       -0.23136        1.31891
C         -1.59496        3.04751        0.00070
C         -1.60652        4.45330        0.00233
C         -2.71849        2.36740       -0.49783
C         -2.71437        5.15626       -0.48135
H         -0.75067        5.01429        0.37509
C         -3.82683        3.07402       -0.97600
H         -2.71893        1.27886       -0.54888
C         -3.82977        4.47122       -0.97043
H         -2.69951        6.24895       -0.47564
H         -4.68198        2.51658       -1.36446
H         -4.69256        5.02392       -1.35013
C          1.10659        3.44520        0.85408
C          1.20470        4.25274        2.00148
C          1.91210        3.77079       -0.25075
C          2.09642        5.32951        2.05048
H          0.57499        4.05846        2.86818
C          2.79542        4.85201       -0.20498
H          1.84930        3.18067       -1.16022
C          2.89819        5.63325        0.94842
H          2.15333        5.93733        2.95685
H          3.40821        5.07875       -1.08037
H          3.59315        6.47548        0.98613
C         -0.71266        1.87695        2.46443
C          0.23607        1.66632        3.47937
C         -2.06332        1.99715        2.83496
C         -0.14478        1.62758        4.82311
H          1.29293        1.56165        3.22906
C         -2.44877        1.92292        4.17702
H         -2.82533        2.17283        2.07672
C         -1.48994        1.75336        5.17854
H          0.61769        1.48859        5.59207
H         -3.50543        2.01949        4.43723
H         -1.78844        1.72090        6.22903
C          1.50559       -1.72680        2.49956
C          2.85495       -1.84995        2.87330
C          0.55027       -1.53167        3.51188
C          3.23391       -1.79489        4.21842
H          3.62190       -2.01559        2.11792
C          0.92630       -1.50821        4.85720
H         -0.50451       -1.42449        3.25312
C          2.27006       -1.63804        5.21736
H          4.28896       -1.89787        4.48339
H          0.16035       -1.38003        5.62471
H          2.56370       -1.62040        6.26961
C          2.27749       -2.99853        0.02187
C          2.08358       -4.38028       -0.14691
C          3.52786       -2.46403       -0.33834
C          3.10488       -5.19701       -0.64343
H          1.12786       -4.83818        0.09976
C          4.55037       -3.28165       -0.82614
H          3.71470       -1.39889       -0.23934
C          4.34521       -4.65454       -0.98131
H          2.92046       -6.26708       -0.76590
H          5.51107       -2.83387       -1.09104
H          5.14273       -5.29348       -1.36766
C         -0.42962       -3.15028        0.93827
C         -1.41929       -3.27506       -0.04707
C         -0.40671       -4.09037        1.98870
C         -2.35904       -4.31166        0.00965
H         -1.48757       -2.52826       -0.83602
C         -1.35063       -5.11729        2.04831
H          0.36036       -4.03626        2.76073
C         -2.32909       -5.23540        1.05487
H         -3.12549       -4.37500       -0.76568
H         -1.31418       -5.83389        2.87252
H         -3.06479       -6.04207        1.10084
118
	Ru-N3CycloOctyneProduct
Ru         0.35599       -0.33222       -0.78170
P          1.79266        1.08853        0.69864
P         -1.31896       -1.43854        0.72542
N          2.24943       -0.65710       -3.15312
N          1.65963        0.28666       -2.37276
N          0.38630       -2.29364       -3.12526
N         -0.46632       -1.53367       -2.37981
N          2.31246       -2.56677       -1.53956
N          1.77905       -1.94873       -0.45357
N         -1.01036        1.23420       -1.42825
N         -0.98056        1.38373       -2.77267
N         -1.77822        2.35443       -3.14122
B          1.91044       -2.14507       -2.96120
C          2.93340       -0.06473       -4.15865
H          3.46036       -0.66930       -4.89148
C          2.79335        1.30986       -4.03208
H          3.20963        2.08580       -4.66637
C          1.97641        1.47368       -2.90412
H          1.59689        2.39079       -2.47329
C         -0.28279       -2.85646       -4.15870
H          0.24428       -3.48548       -4.87078
C         -1.60989       -2.46081       -4.09029
H         -2.42251       -2.72551       -4.75939
C         -1.66676       -1.61866       -2.96842
H         -2.50829       -1.06398       -2.57895
C          3.20508       -3.50746       -1.15920
H          3.72746       -4.09890       -1.90589
C          3.26350       -3.51564        0.22788
H          3.86886       -4.14841        0.86906
C          2.34977       -2.52604        0.61899
H          2.08157       -2.21796        1.61959
C          3.45587        1.45776       -0.10356
C          4.26246        0.37660       -0.50129
H          3.90609       -0.64488       -0.38134
C          5.52848        0.59379       -1.04613
H          6.13526       -0.26289       -1.34840
C          6.01657        1.89444       -1.20741
H          7.00678        2.06299       -1.63708
C          5.22623        2.97413       -0.81258
H          5.59358        3.99676       -0.92815
C          3.95715        2.75861       -0.26162
H          3.36485        3.61993        0.04505
C          1.23387        2.81737        1.14858
C          0.79614        3.67458        0.12196
H          0.73321        3.31241       -0.90271
C          0.40155        4.98406        0.40227
H          0.06820        5.62875       -0.41372
C          0.41363        5.45755        1.71799
H          0.09786        6.47991        1.93801
C          0.82394        4.60982        2.74890
H          0.83174        4.96503        3.78222
C          1.23706        3.30279        2.46736
H          1.56632        2.66485        3.28728
C          2.46155        0.50104        2.36214
C          1.75971       -0.42474        3.14595
H          0.83035       -0.84985        2.77602
C          2.23662       -0.82946        4.39733
H          1.66527       -1.55362        4.98243
C          3.43706       -0.31438        4.88886
H          3.81553       -0.63030        5.86377
C          4.15361        0.60609        4.11796
H          5.09720        1.01478        4.48727
C          3.67280        1.00899        2.86995
H          4.25068        1.72697        2.28806
C         -1.93815       -0.82913        2.39913
C         -1.41267        0.32149        3.00044
H         -0.63611        0.88940        2.49451
C         -1.88767        0.77508        4.23588
H         -1.46119        1.67935        4.67556
C         -2.90534        0.08220        4.89239
H         -3.28145        0.43590        5.85521
C         -3.44773       -1.06429        4.30180
H         -4.25121       -1.61177        4.80019
C         -2.97300       -1.51167        3.06778
H         -3.42050       -2.39974        2.62039
C         -0.74820       -3.16672        1.15732
C         -0.51775       -3.59405        2.47343
H         -0.70506       -2.92146        3.31093
C         -0.05691       -4.89069        2.73442
H          0.11553       -5.20245        3.76747
C          0.17097       -5.78163        1.68513
H          0.52345       -6.79527        1.88952
C         -0.05293       -5.36474        0.36830
H          0.12739       -6.04974       -0.46318
C         -0.49778       -4.06889        0.10592
H         -0.65346       -3.75503       -0.92682
C         -3.01212       -1.81664       -0.01500
C         -3.76842       -0.76472       -0.56076
H          2.49300       -2.82502       -3.77462
C         -3.58875       -3.09713        0.02437
C         -4.88092       -3.31746       -0.46611
C         -5.62412       -2.26315       -0.99919
C         -5.06058       -0.98493       -1.04395
H         -3.33857        0.23115       -0.64778
H         -3.03575       -3.93960        0.43782
H         -5.30379       -4.32433       -0.42738
H         -5.62099       -0.14886       -1.46838
H         -6.63288       -2.43598       -1.38121
H         -2.90520        4.37313        0.56646
C         -3.22662        3.39081        0.94990
H         -3.15215        3.47003        2.04730
C         -4.70909        3.12668        0.58434
H         -4.84452        2.06105        0.32495
H         -5.32219        3.28376        1.48884
C         -5.30674        4.00449       -0.52478
H         -6.40400        3.87148       -0.51312
H         -5.13365        5.06728       -0.26507
C         -4.81636        3.76050       -1.95688
H         -5.05278        2.72636       -2.26754
H         -5.40709        4.41746       -2.62022
C         -3.31872        4.03057       -2.22402
H         -3.20107        4.30148       -3.28472
H         -3.00404        4.91827       -1.64569
C         -2.36997        2.87676       -2.03057
C         -1.89714        2.16840       -0.92383
C         -2.22221        2.30293        0.53520
H         -2.60727        1.34574        0.92063
H         -1.29171        2.47786        1.09170
56
	RuP(CH3)3N3
Ru        -0.28926       -0.01099       -0.18815
P         -1.81042        1.53439        0.74302
P         -1.88223       -1.73200       -0.47726
N          2.50783        1.04769        0.45695
N          1.32262        1.45023       -0.07713
N          2.48665       -1.27438       -0.44313
N          1.30113       -1.15478       -1.09622
N          1.72545       -0.83259        1.93016
N          0.39117       -0.69389        1.72507
N         -0.84319        0.53456       -2.18248
N         -0.58077        1.60031       -2.68518
N         -0.37746        2.61618       -3.21190
B          2.73594       -0.43784        0.83303
C          3.40575        2.05968        0.40443
H          4.41608        1.91618        0.77761
C          2.79290        3.16027       -0.17877
H          3.22518        4.13560       -0.37987
C          1.48885        2.72216       -0.46948
H          0.68746        3.25067       -0.97784
C          3.39100       -1.89186       -1.24192
H          4.40574       -2.06264       -0.89280
C          2.77680       -2.18834       -2.45118
H          3.21159       -2.68463       -3.31349
C          1.46835       -1.69036       -2.31190
H          0.65265       -1.65807       -3.02733
C          1.96552       -1.26253        3.19125
H          2.98439       -1.42510        3.53100
C          0.74761       -1.41360        3.84027
H          0.57226       -1.74358        4.85966
C         -0.20646       -1.04183        2.87737
H         -1.28752       -1.01418        2.95919
H          3.86517       -0.60255        1.23350
C         -3.30345        1.01710        1.73496
H         -3.97560        0.39466        1.12733
H         -2.99401        0.44390        2.62085
H         -3.86061        1.90530        2.07384
C         -1.30523       -3.24786       -1.38227
H         -1.05366       -2.98988       -2.41951
H         -0.40562       -3.65326       -0.89760
H         -2.09824       -4.01215       -1.38731
C         -2.67121       -2.56559        0.98880
H         -1.89454       -3.06347        1.58806
H         -3.18856       -1.83412        1.62519
H         -3.40080       -3.32003        0.65333
C         -2.62852        2.68208       -0.46210
H         -1.88386        3.16688       -1.10955
H         -3.29350        2.09529       -1.11327
H         -3.21620        3.44955        0.06597
C         -1.05182        2.70491        1.96839
H         -0.61808        2.12090        2.79414
H         -0.24282        3.27534        1.49340
H         -1.80662        3.40052        2.36786
C         -3.36143       -1.27742       -1.49654
H         -3.98007       -0.54464       -0.95804
H         -2.99356       -0.80255       -2.41702
H         -3.97529       -2.16112       -1.73142
76
	RuP(CH3)3N3cycloOctyneClickTS
Ru        -0.80479       -0.19691        0.01096
P         -0.04929       -1.31585       -1.93684
P         -0.25241       -1.75049        1.71463
N         -2.74681        1.86588       -1.11345
N         -1.46232        1.43790       -1.24777
N         -2.88466        1.57976        1.35731
N         -1.61917        1.11128        1.52757
N         -3.83327       -0.20339       -0.16078
N         -2.75821       -1.02726       -0.20592
N          1.08657        0.69790        0.26354
N          1.36157        1.88429        0.15228
N          2.24376        2.67706        0.06530
B         -3.63698        1.31523        0.02900
C         -2.96054        2.93942       -1.91178
H         -3.93116        3.42751       -1.92676
C         -1.78414        3.22185       -2.59215
H         -1.60323        4.01768       -3.30802
C         -0.87169        2.25673       -2.13013
H          0.18222        2.14066       -2.36293
C         -3.18107        2.46941        2.33566
H         -4.14965        2.96142        2.35481
C         -2.08031        2.58395        3.17340
H         -1.97703        3.20944        4.05477
C         -1.12233        1.71934        2.61377
H         -0.09837        1.52912        2.91877
C         -4.97648       -0.91367       -0.31287
H         -5.94046       -0.41303       -0.30354
C         -4.64076       -2.25300       -0.46316
H         -5.31129       -3.09498       -0.60555
C         -3.23653       -2.26963       -0.38874
H         -2.55044       -3.10958       -0.45604
H         -4.70936        1.87405        0.03373
H          4.95687       -1.34856       -1.47050
C          5.00541       -1.60233       -0.39595
H          5.09522       -2.70343       -0.34411
C          6.28512       -0.99072        0.21224
H          6.20415       -0.98760        1.31585
H          7.10209       -1.69730       -0.01710
C          6.76612        0.40164       -0.27164
H          7.86754        0.38837       -0.19560
H          6.54995        0.51057       -1.35134
C          6.29087        1.66297        0.48184
H          6.20588        1.43064        1.55912
H          7.08179        2.43018        0.39771
C          4.97837        2.30751        0.00246
H          4.78345        3.22795        0.57752
H          5.08753        2.63743       -1.04831
C          3.82190        1.39307        0.10171
C          3.38730        0.22471        0.19836
C          3.66691       -1.22039        0.27041
H          3.68973       -1.54684        1.32823
H          2.85878       -1.81030       -0.19978
C          0.43277       -3.11289       -1.99832
H          1.32006       -3.29265       -1.37560
H         -0.38937       -3.74344       -1.62873
H          0.66225       -3.40550       -3.03537
C          1.41297       -0.54740       -2.78034
H          1.10469        0.40246       -3.23913
H          2.19473       -0.32460       -2.04097
H          1.80057       -1.20805       -3.57184
C         -1.30802       -1.29337       -3.30367
H         -2.19133       -1.87728       -3.00661
H         -1.62590       -0.25650       -3.48277
H         -0.88846       -1.71412       -4.23130
C         -1.68291       -2.14584        2.83227
H         -2.12205       -1.20391        3.19150
H         -2.45677       -2.69691        2.27883
H         -1.35340       -2.74743        3.69419
C          0.40294       -3.46461        1.40487
H         -0.27483       -4.02884        0.74831
H          1.38887       -3.40197        0.92273
H          0.50818       -4.00747        2.35776
C          0.99772       -1.13936        2.94398
H          1.81022       -0.63078        2.40819
H          0.51628       -0.41282        3.61312
H          1.38927       -1.96918        3.55275
76
	RuP(CH3)3N3cycloOctyneProduct
Ru         0.62037       -0.20157        0.03259
P          0.34471       -1.53676        1.97913
P         -0.08618       -1.62090       -1.74188
N          2.69305        1.82254        0.98220
N          1.47503        1.31504        1.31486
N          2.37082        1.77638       -1.49172
N          1.10936        1.26733       -1.47618
N          3.63792       -0.08537       -0.36067
N          2.61426       -0.95772       -0.20188
N         -1.29531        0.71706        0.26305
N         -1.27492        2.06572        0.26137
N         -2.48558        2.53572        0.45974
B          3.36294        1.43469       -0.35596
C          3.01601        2.83202        1.82616
H          3.95219        3.36987        1.70420
C          1.98329        2.98763        2.73998
H          1.91257        3.70806        3.54900
C          1.03443        2.02138        2.36366
H          0.04494        1.83549        2.76577
C          2.46033        2.75285       -2.42679
H          3.39455        3.28801       -2.57298
C          1.22422        2.88411       -3.04399
H          0.94354        3.57591       -3.83214
C          0.40820        1.93911       -2.39817
H         -0.65175        1.74536       -2.52067
C          4.80796       -0.75055       -0.49610
H          5.73764       -0.20548       -0.63272
C          4.54546       -2.11342       -0.42436
H          5.25435       -2.93272       -0.49476
C          3.15459       -2.18833       -0.23903
H          2.52239       -3.06595       -0.13453
H          4.39896        2.04095       -0.50232
H         -5.03625       -0.95708        1.33549
C         -4.53498       -1.40061        0.45990
H         -4.67009       -2.48988        0.57403
C         -5.24061       -0.93445       -0.83843
H         -4.49129       -0.61313       -1.58332
H         -5.75842       -1.79828       -1.28949
C         -6.27447        0.18746       -0.64931
H         -6.91508        0.22866       -1.54865
H         -6.94783       -0.09444        0.18327
C         -5.72558        1.59940       -0.39992
H         -5.18627        1.95225       -1.29723
H         -6.59389        2.27237       -0.28303
C         -4.80030        1.78544        0.82496
H         -4.82691        2.84851        1.11050
H         -5.20717        1.22552        1.68551
C         -3.34128        1.48662        0.59905
C         -2.59646        0.31126        0.47089
C         -3.02335       -1.12856        0.54595
H         -2.52051       -1.69957       -0.25115
H         -2.66864       -1.58406        1.48756
C         -0.21299       -3.31395        1.95166
H         -1.23209       -3.38893        1.54846
H          0.45794       -3.90666        1.31248
H         -0.19806       -3.73773        2.96859
C          1.91597       -1.72358        2.95632
H          2.64534       -2.33363        2.40645
H          2.35210       -0.72789        3.12059
H          1.70794       -2.19588        3.92945
C         -0.74819       -0.83649        3.31794
H         -0.17692       -0.07952        3.87299
H         -1.63459       -0.35153        2.88940
H         -1.05349       -1.62622        4.02203
C         -0.54729       -3.41417       -1.53174
H          0.27841       -3.95786       -1.04994
H         -1.44189       -3.51563       -0.90168
H         -0.74726       -3.87473       -2.51238
C         -1.49549       -1.01564       -2.79667
H         -2.31157       -0.63083       -2.17294
H         -1.13002       -0.19531       -3.42931
H         -1.86737       -1.82173       -3.44838
C          1.21262       -1.79642       -3.06153
H          1.54996       -0.79442       -3.36240
H          2.07924       -2.35232       -2.67873
H          0.80166       -2.32233       -3.93776
70
	Pt(II)-N3
Pt        -0.01978       -0.19330        0.06536
P         -2.39039       -0.14675       -0.09348
P          2.34984       -0.16052        0.15238
C         -0.08720       -2.03097        1.05629
H          0.88983       -2.48603        1.27963
H         -0.64149       -2.77363        0.45172
H         -0.61155       -1.93699        2.02427
C          3.13487       -1.85450       -0.17142
H          2.80509       -2.41879        0.71592
C          4.66914       -1.90239       -0.20400
H          5.00358       -2.95360       -0.17422
H          5.13413       -1.38519        0.64894
H          5.07017       -1.46221       -1.12947
C          2.52822       -2.55578       -1.39685
H          2.86585       -3.60584       -1.42708
H          2.84251       -2.08151       -2.33859
H          1.42945       -2.54863       -1.36274
C          3.00125        0.34049        1.85532
H          4.09839        0.40123        1.75514
C          2.46133        1.72654        2.24273
H          2.91467        2.04903        3.19511
H          1.36896        1.69207        2.38117
H          2.66952        2.50232        1.49184
C          2.67633       -0.68527        2.95011
H          3.07624       -0.32817        3.91418
H          3.12304       -1.67277        2.75848
H          1.58988       -0.81738        3.06448
C          3.12120        1.12435       -1.00899
H          2.53182        2.02189       -0.77157
C          4.59601        1.48612       -0.76787
H          4.86289        2.32975       -1.42687
H          5.28248        0.66011       -1.00305
H          4.79327        1.81302        0.26359
C          2.86612        0.78865       -2.48630
H          3.10429        1.66914       -3.10621
H          1.81276        0.53214       -2.66575
H          3.50590       -0.03800       -2.83526
C         -3.32024       -1.27749        1.10803
H         -2.71480       -2.19650        1.06035
C         -4.76243       -1.65223        0.73177
H         -5.16153       -2.35307        1.48520
H         -4.83095       -2.15534       -0.24371
H         -5.43205       -0.77950        0.71204
C         -3.24916       -0.76304        2.55515
H         -3.53183       -1.57147        3.25020
H         -3.94879        0.07065        2.72293
H         -2.24003       -0.42180        2.82914
C         -2.95631       -0.73674       -1.79796
H         -4.05826       -0.76326       -1.76077
C         -2.53299        0.21972       -2.92333
H         -2.82096       -0.21483       -3.89576
H         -1.44680        0.39271       -2.92306
H         -3.02296        1.20144       -2.84439
C         -2.44445       -2.15936       -2.07302
H         -2.85115       -2.52324       -3.03159
H         -2.74051       -2.87894       -1.29393
H         -1.34560       -2.17253       -2.14210
C         -3.04891        1.61689        0.02995
H         -2.51941        2.07030       -0.82288
C         -4.55995        1.79756       -0.17133
H         -4.78855        2.87284       -0.26721
H         -5.13748        1.42260        0.68862
H         -4.93857        1.30230       -1.07873
C         -2.56153        2.35138        1.28981
H         -2.69535        3.43736        1.15547
H         -1.49402        2.17046        1.47996
H         -3.12795        2.05618        2.18601
N         -0.07385        1.63822       -1.07408
N          0.30417        2.69874       -0.63127
N          0.66814        3.74229       -0.27462
90
	Pt(II)-N3cycloOctyneClickTS
Pt        -1.06176        0.17187       -0.16251
P         -0.61886        2.49993        0.07400
P         -1.65618       -2.14423       -0.17924
C         -2.75163        0.59992       -1.32532
H         -3.70957        0.34512       -0.84298
H         -2.69336        0.01207       -2.26076
H         -2.83105        1.65326       -1.63493
N          0.85078       -0.27768        0.67423
N          1.17581       -0.82930        1.71415
N          2.06542       -1.30376        2.34147
H          5.33777       -2.56295       -0.35504
C          5.83478       -1.93690        0.40665
H          6.61567       -2.57502        0.85971
C          6.55660       -0.75646       -0.27499
H          7.22522       -0.28012        0.46653
H          7.22888       -1.18991       -1.03925
C          5.73264        0.37179       -0.93781
H          6.45852        1.02940       -1.44779
H          5.27238        0.99346       -0.15168
C          4.63523       -0.05011       -1.94687
H          4.74603        0.51845       -2.88713
H          4.75600       -1.11341       -2.21804
C          3.19743        0.16830       -1.41339
H          3.00708        1.25522       -1.33465
H          2.45895       -0.20968       -2.14181
C          3.03332       -0.45750       -0.08857
C          3.57252       -1.00927        0.89119
C          4.79089       -1.59560        1.49067
H          5.21828       -0.89379        2.23176
H          4.53484       -2.50492        2.05954
C         -1.52934       -3.08914        1.47639
H         -2.39328       -3.77287        1.41787
C         -0.71174       -3.13629       -1.48458
H         -1.00106       -4.19119       -1.33535
C         -3.47187       -2.49353       -0.62421
H         -3.63351       -1.88966       -1.52948
C         -2.19180        3.56183        0.24483
H         -2.56994        3.59245       -0.79123
C          0.31901        3.15245       -1.43764
H          1.25266        2.57082       -1.35377
C          0.45332        3.03429        1.54230
H          0.31251        4.12687        1.59387
C         -1.98254        5.01077        0.71699
H         -1.23897        5.56377        0.12953
H         -2.93860        5.55580        0.63739
H         -1.68030        5.05173        1.77554
C         -3.27086        2.89427        1.11519
H         -3.43294        1.84376        0.84709
H         -3.00512        2.93452        2.18322
H         -4.22504        3.43548        0.99670
C         -0.06292        2.42556        2.85612
H          0.55242        2.78953        3.69594
H         -1.10604        2.70340        3.06682
H          0.00111        1.32830        2.83932
C          1.95533        2.76495        1.36455
H          2.16813        1.69454        1.24435
H          2.38116        3.30304        0.50433
H          2.48724        3.12211        2.26291
C          0.68492        4.64417       -1.45601
H          1.43418        4.82571       -2.24547
H         -0.18791        5.27189       -1.69446
H          1.11479        4.99904       -0.50798
C         -0.35090        2.74537       -2.75772
H         -0.53528        1.66328       -2.80243
H         -1.31333        3.26261       -2.90803
H          0.30193        3.02201       -3.60293
C         -4.44261       -1.98465        0.45477
H         -4.21715       -0.95713        0.77237
H         -5.47225       -1.99803        0.05938
H         -4.43105       -2.62861        1.34858
C         -3.78560       -3.96016       -0.96101
H         -4.85701       -4.05637       -1.20675
H         -3.21911       -4.33654       -1.82441
H         -3.59225       -4.63370       -0.10978
C         -0.28735       -3.96476        1.69579
H         -0.42374       -4.52865        2.63490
H         -0.14451       -4.70405        0.89363
H          0.63197       -3.37212        1.80710
C         -1.75433       -2.15028        2.67355
H         -0.88743       -1.49434        2.82795
H         -2.64249       -1.51463        2.55235
H         -1.89150       -2.75306        3.58778
C         -1.13062       -2.69637       -2.89796
H         -0.87993       -1.63658       -3.06348
H         -0.57841       -3.29043       -3.64528
H         -2.20368       -2.82703       -3.09929
C          0.81132       -3.00840       -1.34656
H          1.13117       -1.96801       -1.49169
H          1.18998       -3.32279       -0.36769
H          1.29657       -3.63376       -2.11554
90
	Pt(II)-N3cycloOctyneProduct
Pt         0.67780        0.49124       -0.31526
P          2.31505       -1.26114       -0.13712
P         -0.64655        2.43446        0.02597
C          1.97442        1.58211       -1.53933
H          1.54045        2.50371       -1.95627
H          2.23299        0.94994       -2.41048
H          2.92333        1.87986       -1.06004
C         -0.89973        3.55011       -1.48325
H          0.13049        3.88679       -1.68093
C         -1.75538        4.80372       -1.24978
H         -1.70341        5.45692       -2.13780
H         -1.41335        5.39650       -0.38771
H         -2.81583        4.55563       -1.09192
C         -1.35593        2.77190       -2.72746
H         -1.28290        3.42076       -3.61689
H         -2.40120        2.43982       -2.64786
H         -0.72765        1.88547       -2.90036
C          0.22866        3.55951        1.27322
H         -0.51604        4.32871        1.53461
C          0.59177        2.77008        2.54078
H          0.95302        3.46261        3.31984
H          1.39256        2.04777        2.32246
H         -0.25025        2.19669        2.95418
C          1.46848        4.27272        0.71787
H          1.90398        4.90628        1.50922
H          1.24225        4.93005       -0.13533
H          2.23961        3.55445        0.40399
C         -2.32855        2.11467        0.85042
H         -2.09555        1.25150        1.49232
C         -2.88209        3.23337        1.74812
H         -3.84092        2.89586        2.17704
H         -3.08255        4.16437        1.19548
H         -2.22129        3.46978        2.59372
C         -3.39476        1.67015       -0.16153
H         -4.24888        1.23092        0.37936
H         -3.02014        0.90943       -0.85727
H         -3.77986        2.51809       -0.75033
C          4.06209       -0.69195       -0.63081
H          3.85746       -0.10136       -1.53624
C          5.07787       -1.77795       -1.02026
H          6.02795       -1.29118       -1.30063
H          4.75673       -2.37112       -1.88882
H          5.29939       -2.47120       -0.19524
C          4.67031        0.26586        0.40680
H          5.51871        0.80841       -0.04325
H          5.05726       -0.27910        1.28179
H          3.94443        1.01072        0.76267
C          2.04693       -2.78037       -1.23331
H          3.01054       -3.31358       -1.24079
C          0.98817       -3.75020       -0.68575
H          0.76020       -4.51258       -1.44986
H          0.05073       -3.24431       -0.41889
H          1.34241       -4.28218        0.20912
C          1.73685       -2.33528       -2.67138
H          1.65119       -3.21618       -3.32979
H          2.52554       -1.68701       -3.08601
H          0.79029       -1.77474       -2.72130
C          2.36934       -1.97648        1.61340
H          1.37467       -2.44693        1.67909
C          3.44188       -3.05313        1.83923
H          3.25132       -3.55985        2.80035
H          4.45053       -2.61522        1.90045
H          3.45489       -3.82664        1.05665
C          2.40838       -0.91115        2.71938
H          2.29671       -1.41312        3.69541
H          1.56673       -0.21437        2.61994
H          3.35844       -0.35705        2.73922
N         -0.76900       -0.72227        0.70180
N         -0.78570       -0.77118        2.04524
N         -1.75997       -1.56538        2.44210
H         -4.93758       -1.51707        0.79778
C         -4.89601       -2.61474        0.90229
H         -5.72306       -2.87887        1.58372
C         -5.17265       -3.29334       -0.45003
H         -5.43828       -4.35152       -0.27026
H         -6.06949       -2.83123       -0.90269
C         -4.01771       -3.26021       -1.46098
H         -4.37027       -3.73154       -2.39440
H         -3.20044       -3.90932       -1.10037
C         -3.44821       -1.85599       -1.77060
H         -3.43882       -1.70390       -2.86307
H         -4.11590       -1.07687       -1.36672
C         -2.00809       -1.62573       -1.27632
H         -1.39064       -2.44339       -1.69234
H         -1.60508       -0.70828       -1.73912
C         -1.77929       -1.50805        0.21075
C         -2.40035       -2.05302        1.34328
C         -3.55201       -3.00092        1.56051
H         -3.27916       -4.02857        1.25313
H         -3.67617       -3.04139        2.65313
34
	Pt(II)P(CH3)3N3
Pt        -0.05270       -0.25397       -0.00680
P         -2.38209       -0.08029       -0.02859
P          2.27252       -0.32591       -0.06823
C         -0.10127       -2.27825        0.50490
H          0.86095       -2.68402        0.86536
H         -0.40045       -2.89071       -0.36828
H         -0.83330       -2.47243        1.30962
N         -0.14792        1.82868       -0.56336
N          0.44685        2.66846        0.07642
N          1.00807        3.51447        0.63756
C         -3.42063       -1.58855        0.20210
H         -3.17015       -2.32909       -0.57177
H         -3.21544       -2.03542        1.18582
H         -4.49075       -1.33708        0.13367
C         -3.02909        1.08488        1.24644
H         -4.11759        1.22262        1.14534
H         -2.79889        0.69500        2.24915
H         -2.51608        2.04842        1.11696
C         -2.99057        0.63509       -1.61400
H         -4.07165        0.84251       -1.57183
H         -2.42575        1.56188       -1.79005
H         -2.78127       -0.06783       -2.43413
C          2.97630       -1.72491       -1.04899
H          2.59499       -2.68120       -0.66425
H          2.65568       -1.61876       -2.09621
H          4.07702       -1.72155       -1.00273
C          3.11749        1.14177       -0.79616
H          4.20865        0.99069       -0.80246
H          2.75731        1.28415       -1.82554
H          2.87107        2.04401       -0.21651
C          3.07103       -0.50601        1.58683
H          4.16725       -0.57152        1.49660
H          2.80642        0.36784        2.20086
H          2.68755       -1.41031        2.08188
54
	Pt(II)P(CH3)3N3cycloOctyneClickTS
Pt         1.51724        0.10149       -0.06131
P          1.98538       -2.15921        0.22161
P          0.99277        2.37603       -0.27741
C          3.37911        0.38009       -0.96763
H          4.01078        1.06046       -0.36496
H          3.26930        0.83638       -1.96904
H          3.96759       -0.54354       -1.11254
N         -0.40851       -0.19909        0.81007
N         -0.81195        0.31542        1.84834
N         -1.74524        0.68295        2.47224
H         -5.13894        1.32041       -0.52639
C         -5.54507        0.63338        0.23678
H         -6.46516        1.11328        0.61836
C         -5.96870       -0.69321       -0.42784
H         -6.57050       -1.27103        0.29859
H         -6.66755       -0.43282       -1.24503
C         -4.89546       -1.65178       -0.99583
H         -5.44321       -2.46017       -1.51163
H         -4.36676       -2.13945       -0.16017
C         -3.84800       -1.05060       -1.96713
H         -3.79030       -1.65935       -2.88675
H         -4.16520       -0.04302       -2.28877
C         -2.42847       -0.95305       -1.35553
H         -2.01228       -1.97123       -1.23309
H         -1.74599       -0.43756       -2.05423
C         -2.48103       -0.27742       -0.04466
C         -3.18104        0.18321        0.87771
C         -4.51819        0.54818        1.38707
H         -4.84494       -0.19086        2.14291
H         -4.47732        1.51328        1.92006
C          0.72495        3.24112        1.33118
H         -0.10140        2.75919        1.87383
H          1.63780        3.16834        1.94095
H          0.48235        4.30210        1.15909
C         -0.58161        2.67688       -1.18795
H         -0.47738        2.31251       -2.22099
H         -1.38632        2.11110       -0.69371
H         -0.82669        3.75104       -1.20074
C          2.19907        3.47631       -1.14071
H          1.82499        4.51196       -1.16222
H          3.16748        3.44936       -0.62026
H          2.35237        3.12408       -2.17120
C          3.52039       -2.51438        1.18659
H          4.37868       -2.02137        0.70795
H          3.40508       -2.10444        2.20106
H          3.70716       -3.59845        1.24982
C          2.23854       -3.10319       -1.34598
H          3.05163       -2.64111       -1.92434
H          2.48661       -4.15680       -1.14047
H          1.31627       -3.05458       -1.94378
C          0.69786       -3.13382        1.10683
H          0.99120       -4.19303        1.17962
H          0.55741       -2.71127        2.11170
H         -0.25768       -3.03747        0.57341
54
	Pt(II)P(CH3)3N3cycloOctyneProduct
Pt         1.32785        0.14703       -0.12761
P          1.79098       -2.14838       -0.15741
P          0.92392        2.40741        0.23433
C          3.22054        0.59990       -0.88912
H          3.41722        1.67487       -1.05166
H          3.37279        0.10825       -1.86814
H          4.02100        0.23835       -0.21432
N         -0.58898       -0.37236        0.64773
N         -0.68686       -0.69864        1.94979
N         -1.94429       -0.97701        2.23239
H         -4.46201        1.06441        0.90683
C         -5.04373        0.14039        0.74790
H         -5.91365        0.21843        1.42272
C         -5.57948        0.08807       -0.69325
H         -6.40650       -0.64450       -0.73932
H         -6.03388        1.06671       -0.93539
C         -4.56690       -0.28441       -1.78716
H         -5.08922       -0.22290       -2.75737
H         -4.28676       -1.34718       -1.67848
C         -3.27690        0.56774       -1.84432
H         -3.11441        0.89780       -2.88434
H         -3.40134        1.49208       -1.25240
C         -1.99741       -0.16889       -1.40153
H         -1.94325       -1.11680       -1.97299
H         -1.11465        0.40927       -1.72574
C         -1.82427       -0.44722        0.06774
C         -2.68650       -0.83868        1.09900
C         -4.17236       -1.06636        1.17124
H         -4.47070       -1.95799        0.58798
H         -4.37272       -1.31511        2.22420
C         -0.68298        2.80466        1.04237
H         -1.50777        2.52384        0.37217
H         -0.77738        2.20404        1.95888
H         -0.74569        3.87822        1.28012
C          2.16197        3.17738        1.36721
H          1.95137        4.24891        1.51309
H          2.11893        2.66045        2.33731
H          3.17162        3.05370        0.95012
C          0.94983        3.51098       -1.24768
H          0.79028        4.56293       -0.96131
H          1.91710        3.41468       -1.76198
H          0.15506        3.19877       -1.94161
C          2.04272       -2.74271        1.56768
H          2.95285       -2.27956        1.97738
H          1.17835       -2.40397        2.16012
H          2.13659       -3.83985        1.60289
C          3.27206       -2.76105       -1.07274
H          4.17139       -2.23831       -0.71715
H          3.39690       -3.84511       -0.92374
H          3.15415       -2.55368       -2.14692
C          0.43475       -3.22479       -0.79425
H          0.69461       -4.28885       -0.67665
H         -0.48446       -3.00278       -0.23402
H          0.26164       -3.00652       -1.85878
36
	W-N3
W          0.79301       -0.00002       -0.21629
C          2.26369        1.30102        0.06489
N          0.37724       -0.00003        1.86587
O          3.11441        2.07703        0.23645
C         -2.08049        3.48977        0.11178
H         -1.95518        4.57249        0.14538
N          1.82524        0.00029        3.73815
N         -1.04641        1.32643       -0.12354
C         -3.33542        2.89216        0.25263
H         -4.23244        3.49738        0.39476
N          1.16032       -0.00004        2.80067
C         -0.97125        2.67191       -0.07330
H          0.02747        3.09380       -0.18319
C          1.14583        1.20686       -2.21630
H          2.20383        1.25703       -2.48789
H          0.61245        2.15734       -2.31462
C         -2.26079        0.73780        0.04105
C          0.43699        0.00001       -2.46198
H         -0.62885        0.00003       -2.70476
C         -3.42196        1.50422        0.21936
H         -4.38895        1.01885        0.34113
C         -2.08063       -3.48970        0.11176
H         -1.95536       -4.57242        0.14535
N         -1.04646       -1.32640       -0.12354
C         -3.33553       -2.89205        0.25260
H         -4.23258       -3.49723        0.39471
C         -0.97135       -2.67189       -0.07331
H          0.02735       -3.09381       -0.18319
C         -2.26082       -0.73772        0.04104
C         -3.42202       -1.50410        0.21933
H         -4.38899       -1.01869        0.34110
C          1.14579       -1.20687       -2.21630
H          2.20379       -1.25707       -2.48787
H          0.61238       -2.15733       -2.31464
C          2.26368       -1.30114        0.06482
O          3.11414       -2.07728        0.23700
56
	W-N3cycloOctyneClickTS
W         -0.91487       -1.01052       -0.04113
O          0.65881       -2.66821       -2.20418
O          0.68629       -2.85886        1.94134
N          1.41619        2.51569        0.12145
N          0.75041        1.55020        0.08941
N          0.72355        0.31390        0.02409
N         -1.81759        0.66084       -1.29094
N         -1.82368        0.53691        1.35720
C          3.34266        1.42794       -0.00926
C          3.03212        0.22777       -0.07953
C          3.44748       -1.18609       -0.11426
H          2.96873       -1.73309       -0.94258
H          3.12437       -1.69492        0.81146
C          4.99016       -1.26672       -0.24396
H          5.28813       -2.32456       -0.14096
H          5.27552       -0.96827       -1.26800
C          5.74712       -0.39869        0.79332
C          6.46803        0.86843        0.27296
C          5.70814        1.89649       -0.59191
C          4.39193        2.46599       -0.01833
H          4.55161        2.85165        1.00646
H          4.07291        3.33605       -0.61695
C         -1.71376        0.69563       -2.63529
H         -1.22980       -0.16667       -3.09367
C         -2.18100        1.75458       -3.40594
H         -2.06480        1.72768       -4.48985
C         -2.79004        2.83347       -2.76076
H         -3.17419        3.68246       -3.32888
C         -2.88835        2.81458       -1.37332
H         -3.34419        3.65390       -0.85076
C         -2.38385        1.72076       -0.65517
C         -2.38730        1.65174        0.81984
C         -2.89508        2.67482        1.63339
H         -3.34798        3.55902        1.18801
C         -2.80321        2.56616        3.01715
H         -3.18977        3.35949        3.65925
C         -2.19649        1.43239        3.56258
H         -2.08433        1.30584        4.63985
C         -1.72538        0.44892        2.69963
H         -1.24146       -0.45035        3.08016
C          0.07723       -2.06259       -1.39601
C          0.09215       -2.18347        1.20138
C         -2.43983       -2.42527        1.10209
H         -2.10960       -3.46740        1.09680
H         -2.80368       -2.07328        2.07200
C         -3.01505       -1.88593       -0.07847
H         -3.77266       -1.09887       -0.03338
C         -2.45405       -2.29938       -1.31453
H         -2.12314       -3.33580       -1.42089
H         -2.82389       -1.84565       -2.23883
H          5.48112        1.45920       -1.57978
H          6.40210        2.73594       -0.78280
H          7.34842        0.54828       -0.31553
H          6.88120        1.39308        1.15515
H          6.52275       -1.01545        1.28060
H          5.04832       -0.11496        1.59762
56
	WN1
W         -0.69187       -1.01571       -0.06305
O          0.58316       -2.58357       -2.47730
O          1.17399       -2.84109        1.69370
N          1.57191        2.54637       -0.31559
N          0.53530        1.77313       -0.15831
N          0.91191        0.46716       -0.21570
N         -1.85321        0.58672       -1.15902
N         -1.45474        0.46481        1.46587
C          2.67787        1.76260       -0.48124
C          2.27690        0.43140       -0.42035
C          3.10739       -0.81824       -0.52326
H          3.69842       -0.77537       -1.45102
H          2.45736       -1.69403       -0.63869
C          4.05386       -1.07843        0.67486
H          3.45496       -1.47153        1.51331
H          4.74458       -1.89238        0.38724
C          4.86143        0.12012        1.19153
C          5.82673        0.79552        0.20370
C          5.21181        1.51662       -1.01371
C          4.01325        2.42783       -0.70656
H          4.24989        3.06153        0.16952
H          3.88426        3.13858       -1.54165
C         -1.95154        0.63303       -2.50123
H         -1.46668       -0.18095       -3.04004
C         -2.61668        1.64917       -3.18042
H         -2.65478        1.63744       -4.27012
C         -3.22118        2.66271       -2.43607
H         -3.75946        3.47497       -2.92774
C         -3.11630        2.62819       -1.04829
H         -3.56696        3.41934       -0.45171
C         -2.41052        1.58900       -0.43037
C         -2.18637        1.52278        1.02759
C         -2.65690        2.49609        1.91743
H         -3.25015        3.33340        1.55433
C         -2.34328        2.40502        3.27058
H         -2.69676        3.16457        3.97014
C         -1.56210        1.33473        3.70847
H         -1.27485        1.22501        4.75463
C         -1.14719        0.39001        2.77511
H         -0.53849       -0.46471        3.07059
C          0.12050       -2.01226       -1.57301
C          0.49141       -2.16685        1.02960
C         -1.97748       -2.48124        1.26965
H         -1.62117       -3.51374        1.22146
H         -2.20556       -2.13096        2.28073
C         -2.73151       -1.96939        0.18022
H         -3.51388       -1.21970        0.32167
C         -2.31034       -2.37832       -1.11359
H         -1.96456       -3.40613       -1.25221
H         -2.80588       -1.94910       -1.98952
H          4.93373        0.79611       -1.79920
H          6.00560        2.13888       -1.46208
H          6.56202        0.05249       -0.15805
H          6.41126        1.53933        0.77635
H          5.45518       -0.22711        2.05636
H          4.16647        0.87618        1.59590
56
	WN1toN2isomerizationTS
W          0.80300       -0.81005       -0.53548
O         -0.04676       -3.74147        0.22418
O         -1.02243       -1.41175       -3.01766
N         -1.78193       -0.86776        1.89460
N         -0.75517       -0.35331        1.23827
N         -1.15781        0.27858        0.11911
N          2.00082       -0.04204        1.29124
N          1.31116        1.41765       -0.79296
C         -2.89952       -0.52193        1.20927
C         -2.50918        0.17803        0.05424
C         -3.30694        0.77281       -1.06974
H         -3.97738        0.00610       -1.48778
H         -2.61624        1.03822       -1.88516
C         -4.12980        2.02465       -0.68312
H         -3.44494        2.88965       -0.62542
H         -4.83564        2.24458       -1.50514
C         -4.89322        1.94896        0.64748
C         -5.94723        0.83792        0.79549
C         -5.45647       -0.62597        0.82357
C         -4.25642       -0.90939        1.74238
H         -4.41552       -0.41686        2.72045
H         -4.22258       -1.98888        1.96742
C          2.23276       -0.82395        2.36197
H          1.84714       -1.84101        2.29543
C          2.90614       -0.37927        3.49488
H          3.06433       -1.05902        4.33281
C          3.35996        0.94168        3.52780
H          3.89695        1.32886        4.39565
C          3.10106        1.76487        2.43669
H          3.42694        2.80394        2.45013
C          2.40823        1.24953        1.33056
C          2.02333        2.06724        0.16198
C          2.32272        3.43329        0.04590
H          2.90159        3.93788        0.81801
C          1.86675        4.14689       -1.05760
H          2.09158        5.21024       -1.15832
C          1.11102        3.47793       -2.02415
H          0.71935        3.99358       -2.90167
C          0.86259        2.12076       -1.85118
H          0.28095        1.55433       -2.57835
C          0.26089       -2.65655       -0.05888
C         -0.34346       -1.20670       -2.09181
C          2.07835       -0.90519       -2.51511
H          1.85213       -1.78136       -3.12922
H          2.17552        0.02441       -3.08458
C          2.88659       -1.08097       -1.35732
H          3.56584       -0.29706       -1.01220
C          2.67383       -2.26256       -0.60164
H          2.45782       -3.19322       -1.13286
H          3.22455       -2.39729        0.33391
H         -5.22878       -0.98449       -0.19300
H         -6.30216       -1.24649        1.16610
H         -6.70398        0.94091       -0.00466
H         -6.48643        1.02931        1.74163
H         -5.40459        2.91722        0.79443
H         -4.16567        1.87131        1.47370
56
	WN2
W         -1.32507       -0.83358        0.02048
O         -1.17522       -2.97823       -2.28490
O         -0.50026       -3.29689        1.80564
N          1.36841        0.70777       -0.32052
N          0.78352       -0.50202       -0.29449
N          1.66500       -1.49740       -0.47894
N         -1.48357        1.08425       -1.14753
N         -1.04641        0.88035        1.45432
C          2.67360        0.48766       -0.52625
C          2.86164       -0.91425       -0.62873
C          4.10178       -1.73555       -0.84138
H          4.62590       -1.39284       -1.74799
H          3.78229       -2.76903       -1.04463
C          5.08423       -1.74061        0.35334
H          4.68454       -2.41760        1.12856
H          6.03910       -2.18579        0.01828
C          5.35548       -0.38320        1.01940
C          5.95511        0.72836        0.14063
C          5.08458        1.29618       -1.00037
C          3.63541        1.64741       -0.62315
H          3.63045        2.20665        0.33199
H          3.23471        2.35220       -1.37241
C         -1.62828        1.11442       -2.48853
H         -1.72648        0.14416       -2.97478
C         -1.64887        2.29387       -3.22441
H         -1.76429        2.25339       -4.30798
C         -1.52302        3.50816       -2.54541
H         -1.54437        4.45714       -3.08411
C         -1.35831        3.48729       -1.16407
H         -1.24214        4.42168       -0.61741
C         -1.32433        2.26174       -0.48561
C         -1.07896        2.14812        0.96316
C         -0.85352        3.25461        1.79296
H         -0.89320        4.26391        1.38666
C         -0.55863        3.06073        3.13865
H         -0.37488        3.91555        3.79187
C         -0.49322        1.75460        3.62992
H         -0.25195        1.54654        4.67282
C         -0.74697        0.70211        2.75772
H         -0.71124       -0.33287        3.09721
C         -1.22758       -2.19664       -1.42591
C         -0.80290       -2.39623        1.13594
C         -3.08899       -1.33523        1.50017
H         -3.32695       -2.40240        1.50941
H         -3.03714       -0.87829        2.49318
C         -3.54220       -0.54621        0.40920
H         -3.79703        0.50982        0.53118
C         -3.48508       -1.15564       -0.87254
H         -3.73690       -2.21601       -0.96023
H         -3.74493       -0.55759       -1.75143
H          5.07858        0.61499       -1.86572
H          5.57595        2.21706       -1.35907
H          6.91313        0.37996       -0.28842
H          6.21754        1.56725        0.81187
H          6.05163       -0.55580        1.85973
H          4.42240       -0.01704        1.48184
42
	Pt(IV)-N3
P          1.92994        0.88186        0.39848
C          0.15440        0.53205       -2.35303
H         -0.72357        0.29048       -2.97341
H          1.04891        0.16461       -2.88020
H          0.22650        1.63154       -2.27934
N         -0.21957       -1.22895        1.54939
N         -0.30667       -2.43886        1.62834
N         -0.39241       -3.58457        1.75522
C          1.77374        2.53163        1.23279
H          1.20945        3.22734        0.59347
H          1.24008        2.41021        2.18588
H          2.76782        2.96061        1.43724
C          3.19644        1.26094       -0.89509
H          2.77985        1.98407       -1.61191
H          4.10878        1.68123       -0.44364
H          3.45020        0.34260       -1.44284
C          2.86250       -0.08691        1.66064
H          3.72274        0.48216        2.04658
H          2.16656       -0.34213        2.47265
H          3.21408       -1.02684        1.21182
Pt        -0.00977       -0.36062       -0.46292
C         -1.46001       -1.64483       -1.28076
H         -2.19788       -1.09198       -1.88355
H         -0.97630       -2.38406       -1.93534
H         -1.97889       -2.18243       -0.47190
C          1.34823       -1.85200       -1.07222
H          2.40274       -1.60557       -0.86686
H          1.10063       -2.77950       -0.53151
H          1.25078       -2.03437       -2.15330
P         -1.81042        1.11822        0.31626
C         -2.15099        2.67792       -0.62049
H         -2.36829        2.43172       -1.67073
H         -3.00557        3.22501       -0.19151
H         -1.26141        3.32555       -0.59827
C         -1.67139        1.68566        2.06950
H         -0.90581        2.46875        2.15531
H         -2.63159        2.08522        2.43174
H         -1.36928        0.81538        2.67119
C         -3.46701        0.30101        0.34521
H         -4.22370        0.98229        0.76477
H         -3.76536        0.00121       -0.66854
H         -3.39730       -0.60181        0.96915
62
	Pt(IV)-N3ycloOctyneClickTS
P         -2.06085        1.53615        1.25655
C         -3.08535        0.27311       -1.68304
H         -3.07712       -0.41005       -2.54699
H         -3.27278        1.29021       -2.06223
H         -3.93060       -0.00896       -1.03198
N          0.68442        0.23393        0.35569
N          0.85454       -0.35777        1.41777
N          1.62668       -0.84653        2.17036
H          5.44055       -1.68938       -0.20051
C          5.75609       -1.08475        0.66766
H          6.54091       -1.67249        1.17876
C          6.41452        0.22313        0.18094
H          6.91866        0.70184        1.04159
H          7.22823       -0.06770       -0.50989
C          5.55865        1.31143       -0.50971
H          6.26509        2.08422       -0.86081
H          4.92708        1.80955        0.24469
C          4.66436        0.86760       -1.69519
H          4.83310        1.52760       -2.56411
H          4.94793       -0.14730       -2.02509
C          3.15123        0.87982       -1.36430
H          2.80727        1.92395       -1.24736
H          2.57231        0.46952       -2.20882
C          2.90212        0.13584       -0.11501
C          3.36614       -0.43028        0.89166
C          4.54331       -0.95328        1.61437
H          4.78723       -0.28903        2.46511
H          4.31651       -1.93521        2.06346
C         -2.10448        0.81063        2.95917
H         -2.86141        0.01701        3.01936
H         -1.11785        0.38339        3.19190
H         -2.34634        1.59138        3.69784
C         -3.75171        2.26625        1.08876
H         -4.50029        1.46073        1.04484
H         -3.98466        2.93266        1.93416
H         -3.80945        2.83659        0.14985
C         -0.99321        3.01569        1.54862
H         -1.32325        3.55648        2.44911
H          0.04310        2.66971        1.67311
H         -1.03246        3.68805        0.68160
Pt        -1.26030        0.20464       -0.65981
C         -0.42739       -0.70121       -2.36830
H         -0.48372       -0.01558       -3.22603
H          0.62787       -0.92846       -2.15327
H         -0.94837       -1.63021       -2.65266
C         -0.79427        2.04664       -1.56429
H          0.16594        2.39816       -1.15819
H         -0.70146        1.91638       -2.65174
H         -1.57161        2.80868       -1.38708
P         -1.63864       -2.11175        0.11973
C         -2.91963       -3.02839       -0.85094
H         -2.67167       -2.99054       -1.92150
H         -2.97402       -4.08002       -0.52847
H         -3.90199       -2.55368       -0.71002
C         -2.14551       -2.50008        1.85784
H         -3.11814       -2.03895        2.08411
H         -2.22684       -3.59028        1.99551
H         -1.38649       -2.10756        2.54906
C         -0.14083       -3.17901       -0.05071
H         -0.39198       -4.22498        0.18686
H          0.24673       -3.11831       -1.07645
H          0.63608       -2.82155        0.64101
62
	Pt(IV)N1
P          1.93789       -1.76568        0.77393
C          2.91763        0.23806       -1.68597
H          2.90397        1.11729       -2.34923
H          3.13955       -0.64387       -2.30727
H          3.74904        0.36480       -0.97051
N         -0.80922       -0.20909        0.36414
N         -0.67860       -0.12515        1.70605
N         -1.86265       -0.24347        2.27378
H         -4.51642        1.48081        0.91703
C         -5.14592        0.59884        1.12351
H         -5.85540        0.91806        1.90639
C         -5.96601        0.22872       -0.12438
H         -6.82187       -0.39972        0.18462
H         -6.40931        1.15308       -0.53850
C         -5.22115       -0.51993       -1.24075
H         -5.92690       -0.64188       -2.08042
H         -4.99634       -1.54775       -0.90485
C         -3.91710        0.12923       -1.76199
H         -3.94221        0.12669       -2.86462
H         -3.86618        1.19209       -1.46723
C         -2.61344       -0.58845       -1.35068
H         -2.74834       -1.66952       -1.54927
H         -1.81159       -0.26636       -2.02645
C         -2.12759       -0.39547        0.06107
C         -2.79043       -0.41613        1.29646
C         -4.24115       -0.52919        1.67842
H         -4.65556       -1.51345        1.39205
H         -4.25291       -0.50389        2.77839
C          2.43416       -1.43883        2.52249
H          3.28959       -0.74911        2.55290
H          1.57639       -0.98809        3.03855
H          2.71692       -2.38158        3.01732
C          3.43265       -2.63960        0.11910
H          4.27555       -1.93542        0.05622
H          3.71094       -3.47889        0.77568
H          3.23054       -3.02380       -0.89095
C          0.71929       -3.13462        0.99415
H          1.16188       -3.95029        1.58717
H         -0.15921       -2.72978        1.51574
H          0.40869       -3.52202        0.01418
Pt         1.08252        0.01500       -0.70539
C          0.29141        1.36544       -2.11963
H          0.89916        2.28191       -2.19892
H          0.27273        0.89843       -3.11577
H         -0.73503        1.64960       -1.84220
C          0.67098       -1.54813       -2.05971
H         -0.22064       -2.10697       -1.73897
H          0.48585       -1.13653       -3.06303
H          1.51775       -2.24892       -2.14516
P          1.43861        2.02526        0.69266
C          2.69597        3.19729        0.00372
H          2.44035        3.45738       -1.03339
H          2.74103        4.11813        0.60620
H          3.68629        2.71810        0.00264
C          1.95263        1.94141        2.46614
H          2.94936        1.48668        2.55442
H          1.98444        2.95605        2.89460
H          1.21762        1.33040        3.00652
C         -0.07825        3.07048        0.81018
H          0.14537        4.00911        1.34112
H         -0.45548        3.29957       -0.19550
H         -0.84222        2.50494        1.36163
62
	Pt(IV)N1toN2isomerizationTS
P         -0.70770        2.05552        0.68093
C         -2.98989        0.90883       -1.48040
H         -3.56217        0.14623       -2.02687
H         -2.74022        1.72814       -2.16929
H         -3.60092        1.29997       -0.65269
N          1.48647       -0.50053        1.85160
N          0.54667       -0.92539        1.01236
N          1.07806       -1.25703       -0.18373
H          3.66911        0.80984       -1.42861
C          4.15721       -0.12393       -1.75597
H          4.16827       -0.08197       -2.85891
C          5.61925       -0.15168       -1.27798
H          6.17167       -0.90606       -1.86849
H          6.08560        0.82031       -1.52388
C          5.84919       -0.46184        0.20921
H          6.93405       -0.38536        0.39733
H          5.59839       -1.51964        0.40460
C          5.08725        0.42581        1.22169
H          5.79793        0.77858        1.98813
H          4.70706        1.33742        0.72683
C          3.94055       -0.28460        1.96502
H          4.34703       -1.22277        2.39186
H          3.63662        0.32099        2.83462
C          2.67744       -0.58762        1.20130
C          2.41627       -1.05425       -0.10105
C          3.28967       -1.32176       -1.29786
H          3.93998       -2.19875       -1.11996
H          2.61006       -1.61672       -2.11163
C         -0.69679        1.99416        2.52644
H         -1.70279        1.78120        2.91265
H          0.00226        1.19938        2.82979
H         -0.35792        2.96306        2.92726
C         -1.76044        3.54125        0.33665
H         -2.79933        3.34354        0.64193
H         -1.38747        4.41990        0.88636
H         -1.75422        3.76161       -0.74118
C          0.99611        2.68447        0.34646
H          1.20003        3.57219        0.96584
H          1.71156        1.88776        0.59758
H          1.10596        2.94497       -0.71435
Pt        -1.26514        0.07768       -0.72112
C         -1.55913       -1.49657       -2.07866
H         -2.52323       -2.01256       -1.93452
H         -1.53148       -1.11955       -3.11155
H         -0.72856       -2.19926       -1.92057
C         -0.21847        1.05385       -2.26070
H          0.85659        0.88257       -2.09822
H         -0.50131        0.63558       -3.23782
H         -0.41418        2.13919       -2.29057
P         -2.40832       -1.35960        0.93348
C         -4.24416       -1.49997        0.70236
H         -4.46647       -1.80220       -0.33202
H         -4.67580       -2.24246        1.39224
H         -4.72072       -0.52445        0.88507
C         -2.28061       -1.05594        2.75059
H         -2.78271       -0.11541        3.01817
H         -2.76000       -1.88127        3.30084
H         -1.21695       -0.99805        3.01743
C         -1.85845       -3.11727        0.81395
H         -2.38861       -3.73142        1.55877
H         -2.05790       -3.50876       -0.19239
H         -0.77639       -3.14049        0.99923
62
	Pt(IV)N2
P          1.69716       -1.66887        1.20996
C          3.52953        0.17120       -0.86072
H          3.75780        0.98135       -1.57184
H          3.97577       -0.75438       -1.25831
H          4.03380        0.40610        0.09328
N         -1.51279       -0.54505       -1.38738
N         -0.67550       -0.26257       -0.40160
N         -1.29306       -0.10818        0.77666
H         -4.23028        1.69720        0.70697
C         -4.65610        0.96377        1.41258
H         -4.82181        1.51663        2.35357
C         -6.02852        0.48191        0.91056
H         -6.57710        0.02872        1.75716
H         -6.61868        1.36822        0.61309
C         -6.02813       -0.53524       -0.24191
H         -7.08207       -0.71812       -0.51376
H         -5.65746       -1.50793        0.12873
C         -5.23136       -0.14759       -1.51022
H         -5.86301       -0.33857       -2.39395
H         -5.02218        0.93676       -1.52180
C         -3.92215       -0.93363       -1.71790
H         -4.15667       -2.01193       -1.62157
H         -3.57671       -0.79823       -2.75502
C         -2.74870       -0.58837       -0.83965
C         -2.61060       -0.31162        0.53484
C         -3.60743       -0.15238        1.65066
H         -4.12507       -1.10697        1.85821
H         -3.02478        0.07702        2.55598
C          1.46853       -1.21215        2.98780
H          2.22998       -0.48119        3.29569
H          0.47026       -0.76802        3.10285
H          1.55114       -2.10557        3.62747
C          3.33569       -2.52733        1.24870
H          4.12480       -1.80045        1.49255
H          3.33997       -3.33360        1.99905
H          3.55588       -2.95035        0.25788
C          0.49045       -3.05707        1.04769
H          0.67856       -3.82559        1.81392
H         -0.51971       -2.64202        1.17227
H          0.56449       -3.50629        0.04814
Pt         1.46162       -0.04016       -0.61964
C          1.22899        1.09836       -2.37729
H          1.61490        2.12623       -2.27454
H          1.77696        0.61918       -3.20104
H          0.15733        1.12187       -2.62452
C          1.56303       -1.68647       -1.92989
H          0.53286       -1.92587       -2.23320
H          2.15131       -1.41490       -2.81829
H          2.03450       -2.57491       -1.47836
P          1.23143        2.08839        0.60024
C          2.66861        3.23723        0.40662
H          2.88043        3.38637       -0.66208
H          2.46129        4.21183        0.87599
H          3.56076        2.79277        0.87245
C          0.92530        2.15477        2.42249
H          1.78500        1.74238        2.96895
H          0.75968        3.19494        2.74583
H          0.03174        1.55120        2.63557
C         -0.19039        3.08463       -0.02986
H         -0.22293        4.06856        0.46407
H         -0.10256        3.21907       -1.11618
H         -1.11425        2.52847        0.18281
16
	Pt(CH3)3N3
Pt         0.22417       -0.06069        0.01470
C          1.72139       -0.57357        1.32857
H          1.38251       -0.19472        2.30712
H          2.71008       -0.15235        1.09215
H          1.80142       -1.67385        1.36595
N         -1.70342        0.65944       -0.06611
N         -2.72169       -0.01696        0.00607
N         -3.72583       -0.57249        0.06506
C          1.59074       -0.81912       -1.31422
H          1.42044       -1.91076       -1.33823
H          1.32462       -0.38283       -2.29011
H          2.64987       -0.62474       -1.09023
C          0.90465        1.84482       -0.13930
H          0.34978        2.29044       -0.97555
H          0.64336        2.33360        0.80992
H          1.98823        1.84608       -0.31267
36
	Pt(CH3)3N3cycloOctyneClickTS
Pt        -1.92757       -0.13925        0.00876
C         -3.25670       -1.16991       -1.18949
H         -3.24566       -2.24363       -0.93475
H         -2.86739       -1.02859       -2.21183
H         -4.29383       -0.80567       -1.13898
N         -0.08590        0.68968       -0.03299
N          0.28754        1.87299       -0.13302
N          1.21996        2.57908       -0.16625
H          4.77756        0.34892        1.60568
C          5.11875        0.68979        0.61269
H          6.04017        1.27300        0.79193
C          5.51256       -0.52585       -0.25276
H          6.05282       -0.15846       -1.14519
H          6.26090       -1.09777        0.32701
C          4.43061       -1.51378       -0.75204
H          4.97184       -2.34356       -1.23901
H          3.84306       -1.03580       -1.55333
C          3.45669       -2.09897        0.30277
H          3.40948       -3.19751        0.20757
H          3.83172       -1.89643        1.32095
C          2.01443       -1.54258        0.18540
H          1.54032       -1.93377       -0.73386
H          1.39833       -1.90203        1.02819
C          2.06033       -0.07092        0.13355
C          2.72207        0.97615        0.04487
C          4.04068        1.64046        0.04703
H          4.30155        1.96027       -0.97898
H          4.00702        2.56447        0.64802
C         -3.26956       -0.80630        1.42129
H         -4.32893       -0.82650        1.12721
H         -2.95539       -1.82966        1.69655
H         -3.13248       -0.13625        2.28517
C         -2.86248        1.64447       -0.29219
H         -2.54170        2.31508        0.51674
H         -2.52634        2.02349       -1.26742
H         -3.94813        1.48449       -0.27614
36
	Pt(CH3)3N3cycloOctyneProduct
Pt        -1.75492       -0.23977        0.00742
C         -3.53471       -1.26833        0.09107
H         -3.50170       -1.98655        0.93322
H         -3.66920       -1.84811       -0.84246
H         -4.42802       -0.63470        0.22542
N          0.14421        0.66551       -0.09469
N          0.22489        2.01087       -0.01484
N          1.48093        2.36748       -0.09123
H          3.92340        0.47267        1.63523
C          4.55868        0.62481        0.74605
H          5.40452        1.24495        1.08880
C          5.13324       -0.71714        0.26147
H          5.99434       -0.51737       -0.40250
H          5.54547       -1.25959        1.13210
C          4.16329       -1.63663       -0.49571
H          4.70205       -2.56960       -0.73344
H          3.92284       -1.18573       -1.47485
C          2.84511       -1.97809        0.23820
H          2.69704       -3.07066        0.22241
H          2.91023       -1.69790        1.30368
C          1.58663       -1.34551       -0.38431
H          1.56489       -1.61592       -1.45837
H          0.69863       -1.83782        0.05724
C          1.40286        0.14170       -0.23081
C          2.25406        1.24760       -0.23098
C          3.74780        1.40926       -0.31196
H          4.11924        1.15780       -1.32318
H          3.92392        2.48813       -0.18839
C         -2.22294        0.80631        1.67526
H         -1.84571        0.17558        2.49898
H         -1.66031        1.74673        1.59919
H         -3.30800        0.94790        1.75048
C         -2.48733        1.01416       -1.40299
H         -1.90888        1.94235       -1.30144
H         -2.26412        0.50120       -2.35469
H         -3.56746        1.15332       -1.27242
64
	(PtN3)4
N         -1.43093        0.34061        1.02674
N         -2.41618        0.57515        1.73382
N         -3.32693        0.79199        2.38749
N          1.46985       -0.06601        1.02578
N          2.48185       -0.11159        1.73253
N          3.41733       -0.15366        2.38587
Pt         1.74588       -0.41544       -1.25237
Pt        -0.22202       -1.58633        1.49100
N         -0.22096       -1.57471       -0.83059
N          0.18178        1.30003       -1.22263
Pt         0.26958        1.92108        1.01293
Pt        -1.79358        0.08064       -1.25158
N         -0.37296       -2.65894       -1.40248
N          0.30717        2.19524       -2.06440
N         -0.51347       -3.66118       -1.93117
N          0.42308        3.02279       -2.84253
C         -0.94485        3.56278        0.86271
H         -0.51870        4.43643        1.37601
H         -1.08211        3.80349       -0.20337
H         -1.92174        3.32444        1.31406
C         -1.88290       -0.19937       -3.27802
H         -1.62598       -1.24716       -3.50381
H         -2.88378        0.01619       -3.67819
H         -1.15154        0.46937       -3.75888
C         -3.04736        1.68234       -1.48736
H         -2.50082        2.48821       -2.00376
H         -3.93870        1.42263       -2.07589
H         -3.36324        2.03267       -0.49197
C          1.75846       -0.67758       -3.28310
H          1.48729        0.27543       -3.76590
H          2.74505       -0.99464       -3.64981
H          1.01372       -1.44604       -3.54416
C          3.40532        0.76526       -1.46507
H          3.94774        0.79217       -0.50596
H          4.08061        0.38714       -2.24567
H          3.08148        1.78366       -1.73207
C          2.99849       -2.02866       -1.10637
H          2.43801       -2.93905       -1.37453
H          3.86698       -1.93545       -1.77375
H          3.35135       -2.10800       -0.06596
C         -0.20557       -1.36096        3.52610
H         -0.21438       -2.32937        4.04617
H          0.70263       -0.80722        3.81222
H         -1.09636       -0.78580        3.82703
C         -1.82630       -2.83925        1.71290
H         -1.73732       -3.46404        2.61292
H         -2.74150       -2.23072        1.78655
H         -1.89083       -3.49388        0.82851
C          0.99465       -3.21563        1.73148
H          1.98593       -2.87211        2.06944
H          0.59183       -3.92309        2.47012
H          1.09487       -3.72688        0.76100
C          0.33032        2.23805        3.03498
H          0.35381        3.30898        3.28179
H         -0.56391        1.78356        3.49004
H          1.23437        1.75744        3.44312
C          1.87535        3.17904        0.83760
H          1.90446        3.57693       -0.18986
H          1.81729        4.01947        1.54374
H          2.79499        2.60595        1.03526
C         -3.45425       -1.10547       -1.08453
H         -4.16051       -0.94134       -1.91071
H         -3.13603       -2.15997       -1.08748
H         -3.95948       -0.87716       -0.13193
84
	(PtN3)4cycloOctyneClickTS
N         -1.29695        0.67827       -1.43094
N         -1.84572        1.04575       -2.47616
N         -2.35361        1.38549       -3.44137
N         -0.83193       -1.90561        0.04390
N         -1.00902       -3.12721        0.06996
N         -1.16701       -4.25796        0.09841
Pt         0.38559       -0.95531        1.79361
Pt         0.34780       -1.02964       -1.75815
N         -1.27246        0.73180        1.41423
Pt        -2.68946       -0.57478        0.02953
Pt        -0.66240        2.41670       -0.04511
N         -1.80500        1.14001        2.45267
N         -2.29798        1.51810        3.41134
C         -4.29622        0.69806        0.01079
H         -5.24705        0.14674        0.02190
H         -4.25761        1.34679        0.89975
H         -4.26002        1.31443       -0.90093
C         -0.01680        3.73182        1.38614
H          0.00587        4.77017        1.02522
H         -0.68368        3.66758        2.26195
H          1.00171        3.42066        1.66258
C         -2.41250        3.46744       -0.04168
H         -2.96513        3.20707        0.87109
H         -2.20219        4.54446       -0.05900
H         -2.98423        3.18155       -0.93483
C         -0.67398       -1.77090        3.35624
H         -1.26272       -2.62541        2.98604
H         -0.00783       -2.12292        4.15764
H         -1.35687       -1.01778        3.78076
C          1.69829       -2.50558        2.01627
H          2.57904       -2.30056        1.39501
H          2.00534       -2.62748        3.06436
H          1.20138       -3.42985        1.67843
C         -0.72785       -1.90474       -3.27621
H         -0.06504       -2.29856       -4.06090
H         -1.32228       -2.73666       -2.86632
H         -1.40512       -1.16533       -3.73283
C          1.40481       -0.03147       -3.19554
H          1.67253       -0.68304       -4.03993
H          0.78165        0.79827       -3.56812
H          2.32033        0.36490       -2.72959
C          1.64359       -2.60820       -1.88697
H          1.98690       -2.83216       -0.86762
H          1.12635       -3.48429       -2.30640
H          2.50490       -2.35660       -2.52227
C         -3.70132       -1.70261       -1.34719
H         -4.77513       -1.75730       -1.12100
H         -3.56159       -1.24125       -2.33732
H         -3.28313       -2.72119       -1.35110
C         -3.68144       -1.63922        1.46907
H         -3.51918       -1.14005        2.43708
H         -4.75987       -1.69388        1.26564
H         -3.27092       -2.66033        1.50571
C         -0.05448        3.68195       -1.53672
H         -0.01839        4.73111       -1.21009
H          0.95435        3.35877       -1.83385
H         -0.74781        3.59178       -2.38941
N          2.38635        2.00206       -0.08859
N          1.66392        1.07177       -0.04128
N          1.52367       -0.16327       -0.00901
H          6.13025       -0.87701       -1.64161
C          6.17714       -1.39308       -0.66749
H          6.52189       -2.42015       -0.88353
C          7.24005       -0.73325        0.23307
H          7.41945       -1.39201        1.10284
H          8.18641       -0.73857       -0.33874
C          7.01192        0.69567        0.77912
H          7.94779        0.98621        1.28654
H          6.24716        0.66721        1.57364
C          6.63269        1.79229       -0.24732
H          7.27715        2.67705       -0.11076
H          6.82376        1.43485       -1.27413
C          5.16275        2.25984       -0.14439
H          5.01204        2.83321        0.78795
H          4.91451        2.95179       -0.96619
C          4.25347        1.09269       -0.14465
C          4.11688       -0.14176       -0.09291
C          4.73612       -1.48029       -0.10805
H          4.74869       -1.90260        0.91313
H          4.15155       -2.18147       -0.72144
C          1.46273        0.11829        3.16016
H          2.38838        0.45871        2.67015
H          0.85922        0.98884        3.46597
H          1.71293       -0.47470        4.05149
84
	(PtN3)4cycloOctyneProduct
N         -1.12321        0.46516       -1.53632
N         -1.60865        0.76579       -2.63264
N         -2.05807        1.04977       -3.64343
N         -0.68428       -1.87620        0.23108
N         -0.84202       -3.09306        0.37527
N         -0.98873       -4.21768        0.50892
Pt         0.30979       -0.71772        1.96490
Pt         0.51406       -1.17471       -1.62179
N         -1.30583        0.81153        1.29634
Pt        -2.60767       -0.59966       -0.04544
Pt        -0.50039        2.35753       -0.29812
N         -1.90835        1.36292        2.22383
N         -2.46398        1.87888        3.07813
C         -4.22134        0.63716       -0.29215
H         -5.15954        0.06642       -0.33135
H         -4.26333        1.34046        0.55345
H         -4.09749        1.19596       -1.23126
C         -0.00140        3.86582        0.99892
H          1.05252        3.73464        1.27704
H         -0.14442        4.85450        0.54048
H         -0.65565        3.78308        1.88275
C         -2.27719        3.36252       -0.55775
H         -2.95102        3.17995        0.29450
H         -2.11582        4.44823       -0.63403
H         -2.77597        3.02854       -1.48267
C         -0.86645       -1.40950        3.48632
H         -1.26931       -2.39074        3.19300
H         -0.28279       -1.51694        4.41021
H         -1.69072       -0.70418        3.66292
C          1.65382       -2.17153        2.50522
H          2.64886       -1.72993        2.65246
H          1.34675       -2.66360        3.43991
H          1.70008       -2.92882        1.70666
C         -0.53845       -2.20272       -3.04690
H          0.11674       -2.49713       -3.87852
H         -0.96562       -3.10807       -2.58878
H         -1.34883       -1.57285       -3.43904
C          1.55305       -0.30053       -3.15555
H          2.14289       -1.03224       -3.72674
H          0.84428        0.19731       -3.83709
H          2.22424        0.45045       -2.71046
C          1.79930       -2.78012       -1.66021
H          1.81463       -3.24566       -0.66212
H          1.45464       -3.52853       -2.38816
H          2.81261       -2.46643       -1.94024
C         -3.53562       -1.86704       -1.36126
H         -4.59406       -2.01900       -1.10767
H         -3.47018       -1.43151       -2.37089
H         -3.02006       -2.83988       -1.34268
C         -3.68823       -1.51021        1.43508
H         -3.66674       -0.86835        2.32987
H         -4.73394       -1.67165        1.13879
H         -3.22711       -2.48368        1.66529
C          0.25160        3.48763       -1.83123
H         -0.17897        4.49828       -1.84407
H          1.34176        3.54536       -1.70480
H          0.00232        2.97825       -2.77685
N          2.49793        2.16506        0.10373
N          1.44691        1.41263       -0.03481
N          1.76537        0.08257        0.02991
H          4.72959       -0.65218       -1.65545
C          5.00334       -1.34220       -0.84105
H          4.93768       -2.35370       -1.27430
C          6.46458       -1.10811       -0.42695
H          6.81665       -1.97437        0.16239
H          7.07830       -1.10244       -1.34560
C          6.75494        0.16655        0.38096
H          7.85123        0.25804        0.46216
H          6.40351        0.03825        1.42063
C          6.17400        1.48383       -0.17961
H          6.93671        2.27248       -0.07283
H          5.98494        1.39957       -1.26404
C          4.91420        2.00785        0.54012
H          5.11128        1.98369        1.62885
H          4.77563        3.07112        0.29012
C          3.58048        1.36017        0.27172
C          3.13554        0.04170        0.22039
C          3.95800       -1.21131        0.30180
H          4.47784       -1.23277        1.27527
H          3.29206       -2.07556        0.30060
C          1.18191        0.53714        3.32608
H          1.97631        1.08881        2.79847
H          0.42512        1.24608        3.69834
H          1.61476       -0.00784        4.17780
