85
initial_TS1' charge=2 multiplicity=1
C         -1.105436334669       3.538147211131       0.363914375778
C         -1.596519463473       2.699341702121       1.388328841321
C         -1.896714689124       4.625013573213      -0.049210520200
C         -2.857887377531       2.949531694565       1.962432288093
C         -3.146786913657       4.881812265273       0.531938837917
H         -1.519217371543       5.289256476329      -0.820943013551
C         -3.632337291658       4.039303820320       1.544636630519
H         -3.211247074999       2.310678257406       2.767173310472
H         -3.728125700589       5.736161911212       0.209533277333
H         -4.584483295756       4.243731948099       2.017620865145
C         -0.758009429922       1.584352694826       1.952377594411
N         -0.621145878246       0.457052577016       0.966892694612
S         -0.765121761341      -1.204436416877       1.942144286061
H         -1.243612620496       1.203011611128       2.857411002088
H          0.248869344556       1.924208483378       2.226699615519
C          0.772429642832      -2.043599940000       3.082857281630
O         -1.971108143528      -1.072583874759       3.006636801010
O         -0.927082317739      -2.199206923433       0.608436499965
F          0.269681170801      -3.052000307962       3.834576046105
F          1.263762239581      -1.028306264609       3.881957856236
F          1.774837500187      -2.504244058935       2.251073425309
Rh        -1.938718415304      -0.602931012104      -0.634958850505
C         -3.073042652677      -0.396273541704      -2.504699508077
C         -3.606415490140       0.527845865081      -1.516402692412
C         -3.195341528460      -1.746612745088      -1.971690637899
C         -4.110219076708      -0.261873933564      -0.385328261598
C         -3.862463304637      -1.656601741341      -0.665929622344
C         -4.199785072918      -2.802063419455       0.217823601384
H         -5.174103180829      -3.213477881185      -0.068759545868
H         -3.466687806867      -3.605925768815       0.136158497276
H         -4.262616401947      -2.501620562941       1.264764926800
C         -4.805778403263       0.264546765086       0.818490150680
H         -4.695138842532       1.345677335536       0.906203837221
H         -5.875783336461       0.039732596591       0.750936060984
H         -4.437441508836      -0.198921807296       1.737888371954
C         -3.733369612359       1.999638288244      -1.663528557820
H         -2.967134062551       2.416561654822      -2.320216163087
H         -4.708126906506       2.245083208917      -2.100332752919
H         -3.671001519846       2.507978373504      -0.698079991107
C         -2.464022562600      -0.035114810616      -3.810855811805
H         -2.129626369553       1.002686289541      -3.831811228441
H         -1.612412952907      -0.675658589709      -4.049097829531
H         -3.202414066253      -0.161134888708      -4.609740306651
C         -2.774702273356      -3.006543174383      -2.640205219093
H         -2.376441545874      -3.726858982605      -1.921651566603
H         -3.634970412844      -3.476792909764      -3.128790913167
H         -2.019892309486      -2.826444637236      -3.407132816510
C          0.286872613967       3.385713924362      -0.226713905907
C          0.571125582035       2.030254510877      -0.943405919541
H         -0.211548701287       1.939967451342      -1.704411566109
C          0.655876304441       0.562058460527      -0.434315198069
O          0.076119923502      -0.313408151667      -1.260746795294
H          0.307671687069       4.061088371090      -1.091694590404
C          1.355720208881       3.961878666421       0.725210474024
H          1.373833912279       3.485229477376       1.710751302270
H          2.353051683987       3.898942725476       0.279564423183
H          1.138849038420       5.017399020034       0.901240427440
H          1.517511867623       2.159708063997      -1.487334785232
C          2.398550325388      -1.163737531463      -0.281291411147
C          2.916270266723       1.042550236145       0.661589760163
H          2.309322859136       1.821022627578       1.127383755373
C          3.661559667862       0.277226588159       1.767301110214
H          2.953408744818      -0.084615445504       2.516300475402
H          4.355167599158       0.949739484043       2.271720251245
C          4.447392079835      -0.869721171707       1.152597346373
H          4.783911128550      -1.580090400545       1.908382926825
H          5.315998985703      -0.501878498091       0.599263425647
C          3.983786621398      -2.893173546232      -0.258302207107
H          4.922118275074      -3.279854387848       0.107548320740
C          3.124107302430      -3.500591403458      -1.106576251295
H          3.250077005968      -4.480862539719      -1.535389929332
Se         1.577725359638      -2.428075240350      -1.463452602997
N          1.946911091858       0.098251394315       0.021831794925
C          3.880746386783       1.657389109608      -0.348883724174
C          4.750868632328       2.666843865927       0.108041971158
C          3.960070469407       1.236598149349      -1.688483637763
C          5.685941709113       3.244141223206      -0.759170277334
H          4.694002352795       3.009421276332       1.138653922776
C          4.900334931013       1.814957490717      -2.555587713339
H          3.290197091655       0.470561022206      -2.072432823491
C          5.765259473030       2.816072096450      -2.093836797745
H          6.347074930601       4.021237291001      -0.397639014510
H          4.955454279686       1.483848046069      -3.585043036565
H          6.489711643827       3.259893465760      -2.764023386272
N          3.584567047338      -1.618369132035       0.191273719245
85
initial_TS2' charge=2 multiplicity=1
C         -0.916109279250       3.561958083587       0.455748639613
C         -1.509160152110       2.713088142364       1.421135928139
C         -1.643280997370       4.684090414300       0.023068468842
C         -2.788153153597       2.998283837405       1.932682692544
C         -2.919570093975       4.966938971569       0.534771469125
H         -1.210038201213       5.362990899471      -0.700969471489
C         -3.496952854563       4.124964460457       1.496483589439
H         -3.207672793646       2.358089311500       2.703735589479
H         -3.448736747527       5.849644077373       0.198501550340
H         -4.466981202309       4.357064257242       1.917562034038
C         -0.744734551559       1.557852251991       2.004329054800
S         -0.767853319063      -1.224870843688       1.950422119192
H         -1.285593641474       1.175569658158       2.876685375520
H          0.256651083875       1.862457780696       2.336636586046
C          0.853191277322      -1.988372200671       3.004996291930
O         -1.919774365188      -1.098778628675       3.070053993127
F          0.432026645626      -2.960030858952       3.847577877508
F          1.371332048436      -0.913614330660       3.710253384357
F          1.807419986083      -2.471145666422       2.132434239020
C         -3.012045054964      -0.350410277906      -2.530297183222
C         -3.535511614541       0.597072900373      -1.559233143760
C         -3.206354534108      -1.694551287530      -1.998969374777
C         -4.108693208593      -0.169349640294      -0.444705397895
C         -3.912438084361      -1.573785034914      -0.716270374440
C         -4.326314456936      -2.702864681708       0.155972353062
H         -5.307723814654      -3.072370762207      -0.161831705237
H         -3.626866311690      -3.538032102569       0.097291950705
H         -4.410370846354      -2.399928137813       1.200677919276
C         -4.821455872488       0.392370203720       0.732765899615
H         -4.652385689684       1.465040885293       0.830628824451
H         -5.899005851013       0.230714244939       0.619268410483
H         -4.521102830854      -0.094487967455       1.664445881175
C         -3.587941154520       2.074549013945      -1.703978051490
H         -2.818557393068       2.450558819720      -2.381606852127
H         -4.558975149979       2.372507132722      -2.115609183806
H         -3.475614582824       2.579818780401      -0.740520608692
C         -2.346795693319      -0.017834306615      -3.816395940983
H         -1.955351233295       1.000195987899      -3.821893950459
H         -1.524821259061      -0.702636950444      -4.034119440804
H         -3.067999246624      -0.099919713329      -4.636434545933
C         -2.813150185579      -2.971510738855      -2.651292034872
H         -2.488470583824      -3.712089001425      -1.916899896428
H         -3.667845215542      -3.397843237362      -3.187574704970
H         -2.010254199603      -2.826642245400      -3.375792379971
C          0.483400747678       3.255927951935      -0.068494486253
C          0.483961617572       1.949457216505      -0.914824195051
H         -0.457676686559       1.915581788924      -1.475738585619
H          1.285365859846       2.026509215102      -1.661707833072
C          2.499795733910      -1.105848608341      -0.342021420859
C          2.820398790960       1.052690713596       0.842564288950
H          2.132897233811       1.595914442890       1.498783197789
C          3.784141001470       0.254970267013       1.737635613526
H          3.231082139928      -0.313908273824       2.485815447419
H          4.427969975564       0.957981794572       2.266083958258
C          4.639736067298      -0.670129105375       0.892084818898
H          5.217276429824      -1.358034893822       1.508478192490
H          5.325831843768      -0.109800610111       0.250182945862
C          4.194261054344      -2.728536972396      -0.484165574849
H          5.185754884956      -3.051387620643      -0.207731720692
C          3.309758901668      -3.381580577285      -1.269074379030
H          3.469844107309      -4.339196298239      -1.735944775282
Se         1.670156662562      -2.411374112367      -1.479163175641
N          1.964979262907       0.094182043833       0.061247247716
C          3.574618421566       2.027936831373      -0.048926137338
C          4.060197825018       3.212188025215       0.535685433758
C          3.865602958416       1.751895025983      -1.396514142913
C          4.824693791341       4.111862078246      -0.217788210628
H          3.840026764735       3.433864186864       1.577544193105
C          4.629060565432       2.655746199286      -2.151756888931
H          3.494899976235       0.844240392398      -1.869106164929
C          5.110142171199       3.835065988501      -1.564405855363
H          5.193974918167       5.020655130216       0.239716947734
H          4.849341421279       2.438365017631      -3.189338956207
H          5.701472832654       4.529125991745      -2.147118494425
N          3.749514752923      -1.488308434538       0.020356007371
C          1.056546586505       4.376820273007      -0.948792338543
H          0.465497953262       4.507773363639      -1.861387287779
H          1.077936662907       5.330277656246      -0.417420810352
H          2.080147432592       4.136135780785      -1.248625440410
H          1.152498476467       3.152847321957       0.796274881223
N         -0.599801834422       0.428219135815       1.007064778436
O         -0.992760355702      -2.217106161744       0.626408817882
Rh        -1.947455267292      -0.601086979993      -0.628558743675
C          0.647153401233       0.505269236188      -0.396975981861
O          0.094577354985      -0.399033673548      -1.207156493411
85
initial_TS3' charge=2 multiplicity=1
C         -1.074112108249      -3.338186517599       0.033553587727
C         -1.148679381862      -2.794382894936       1.347317142677
C         -1.871918948046      -4.475061784678      -0.230426090673
C         -2.004473668877      -3.376098028454       2.306991208769
C         -2.705060633494      -5.056300886144       0.733440864231
H         -1.827845171076      -4.942148632040      -1.206107940234
C         -2.778797577085      -4.501698692498       2.017563755367
H         -2.040548764846      -2.946974869503       3.304373962160
H         -3.279219258964      -5.939510000710       0.483812982071
H         -3.409800225143      -4.943180231883       2.777713628914
C         -0.263180732051      -1.688418988617       1.877202787042
H         -0.622904846439      -1.411942559841       2.873157136868
H          0.762826733329      -2.038871041395       2.006950693049
C         -1.229055115312       1.095616526148       3.524753788085
O         -1.028159264266       1.995207269390       0.661756850548
O          1.314113944321       1.913436975198       2.146829488308
F         -1.660800940763       2.346108423097       3.840300657907
F         -2.313095243120       0.272929684190       3.247060862284
F         -0.472602296840       0.555979109671       4.532274959295
C         -3.110667268872       0.588078196734      -2.310159768108
C         -3.377348569438      -0.733893230707      -1.751546802606
C         -3.475791837878       1.581348499806      -1.315245206526
C         -3.916565202439      -0.548158440463      -0.409176998126
C         -3.962575771385       0.875404805973      -0.126523458595
C         -4.485152180911       1.533234403266       1.101528996017
H         -5.476109640681       1.955393151559       0.903679032344
H         -3.841845062684       2.358444285873       1.418874001917
H         -4.584257296935       0.833073466791       1.930511011391
C         -4.381480863181      -1.628784246930       0.494295735611
H         -3.891179529968      -2.581712920727       0.281017815764
H         -5.459668544079      -1.773756711847       0.357002345195
H         -4.218005321262      -1.383497001830       1.545834963672
C         -3.295281780480      -2.017368985029      -2.497578243630
H         -2.523851279595      -1.992366329767      -3.270375846747
H         -4.250624937884      -2.208030270314      -2.999797067405
H         -3.103704279370      -2.863827071669      -1.833509389194
C         -2.542260240121       0.842796188935      -3.660097619373
H         -1.703327748214       0.174278071487      -3.870385039835
H         -2.198249906232       1.871181444838      -3.773210228640
H         -3.304650320102       0.662484236464      -4.425192917994
C         -3.352199673131       3.056894065041      -1.433213580251
H         -2.952230036725       3.496407026037      -0.516157303387
H         -4.339414453844       3.499820952048      -1.603860708501
H         -2.710261640997       3.349871768897      -2.264739932057
C         -0.242604762974      -2.746873617090      -1.118723463745
C          1.065225979832      -2.037735018146      -0.696305905351
H          1.794806127707      -2.151652671829      -1.509404108876
H          1.509918268412      -2.510237418793       0.176184688334
C          2.376961616448       1.405958910713      -0.850728064138
C          3.358528418430      -0.501650816360       0.487437795601
H          3.795093007699      -1.170894485814      -0.266242364042
C          4.384146343190       0.565046708677       0.891952474947
H          3.965189731245       1.190163422682       1.684242970723
H          5.250437964146       0.050582072669       1.307420199761
C          4.804308645032       1.436092146205      -0.268485471533
H          5.446733137046       2.252393310394       0.058513771334
H          5.326229029583       0.875162865961      -1.048638826113
C          3.651017010829       3.277208841774      -1.518041791752
H          4.603605563766       3.783081118797      -1.520543140549
C          2.498459403350       3.698666320634      -2.079982792790
H          2.361865603732       4.615365220656      -2.628831499076
Se         1.081910066186       2.438490245204      -1.838349670265
N          2.171373040273       0.182916768231      -0.238544976153
C          3.035791201787      -1.323022809064       1.727130208119
C          3.264074019122      -2.713675930876       1.695044743600
C          2.694127187274      -0.722425890812       2.956336546181
C          3.094564265482      -3.497964925879       2.844269015649
H          3.591499047688      -3.184205096208       0.771009422056
C          2.520657992620      -1.506447713937       4.105080847399
H          2.580955191781       0.351846386271       3.031610459114
C          2.706963582336      -2.896656541429       4.051566697059
H          3.281375925651      -4.563164135202       2.801824357059
H          2.265623917962      -1.029551833005       5.043677972670
H          2.586077678191      -3.497773869164       4.943409664308
N          3.579393338316       2.033035257948      -0.858561906812
C          0.093578002810      -3.782169788141      -2.211291737717
H          0.642947732343      -4.635252055471      -1.803705917494
H         -0.799815081107      -4.165570376325      -2.707740359339
H          0.706842693580      -3.317223180308      -2.987204406247
H         -0.857849728920      -1.975743199497      -1.603441117819
N         -0.279112672997      -0.497652562474       0.969224101626
Rh        -1.880063396746       0.340874022405      -0.520196308360
C          0.924865497794      -0.532714167200      -0.523848277001
O          0.119408800776       0.124236300161      -1.351666865616
S         -0.075705938128       1.190723296977       1.783296817058
85
initial_TS4' charge=2 multiplicity=1
C         -0.437080386958      -3.696568872497       0.304720066531
C         -1.143971813452      -2.923515517111       1.257438557850
C         -1.109442536461      -4.769775884634      -0.305360599950
C         -2.469706675311      -3.243881998395       1.600298305478
C         -2.432105307844      -5.089198985165       0.036689050162
H         -0.591109362053      -5.390400644901      -1.026069851013
C         -3.112624613019      -4.336376709885       1.006948424956
H         -2.972609113933      -2.668633018258       2.372817780336
H         -2.917303498058      -5.937729847691      -0.429143781379
H         -4.114683996642      -4.613353149275       1.311090748717
C         -0.455485787393      -1.796801078011       1.978949515164
H         -1.077617983779      -1.464701460797       2.814944037369
H          0.525999932516      -2.085506055039       2.366628007232
C         -1.501409720294       1.131409148937       3.312216084069
O         -0.644121369931       1.948444349405       0.592919210998
O          1.305423916230       1.669651517830       2.582040166341
F         -1.889373461398       2.425869292425       3.483748054076
F         -2.582842960056       0.376799747777       2.859129512742
F         -1.018050303559       0.595524025906       4.473460483708
C         -3.022679923817       0.500809559902      -2.293465066901
C         -3.462777702369      -0.637164790304      -1.494636372704
C         -3.233648843367       1.708649709274      -1.509758449736
C         -4.031387125800      -0.111037922245      -0.252304877367
C         -3.847711485813       1.322852182898      -0.237963561918
C         -4.285950280950       2.273619961328       0.820109247444
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H         -3.536041323679       3.047632305014       1.001904330183
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C          4.186330169789       2.138482028905       0.128598682068
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H          5.059988772395       1.984616357490      -0.510531693251
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Se         0.784404120820       1.971036178928      -2.299725920613
N          1.975443572714       0.205220091957      -0.221208077430
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C          4.047172587488      -2.550256039440       1.012472563453
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C          3.630992776260      -3.492403809662       3.209939654914
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H          3.755638798119      -4.293474483327       3.926890861035
N          3.011320539447       2.298077359033      -0.775321468477
C          1.763268699329      -4.605688712220      -0.598378793168
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H          2.838866232442      -4.416248486293      -0.640031157926
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H          1.508319810292      -3.261082310639       1.038661435753
N         -0.315051923881      -0.674067296472       0.987973991155
Rh        -1.849940755660       0.399858402878      -0.456154242395
C          0.860028286525      -0.745109994728      -0.479895204445
O         -0.035837317542      -0.261128519239      -1.353348354338
S         -0.005191531217       1.069839284824       1.867000651789
85
TS1'_major charge=2 multiplicity=1
C          0.832719300204       3.395124924188       0.638610880685
C          1.138285271160       3.124898220942      -0.710911927728
C          1.759148603171       4.147883225883       1.378125944847
C          2.327009299920       3.618488990454      -1.267299064748
C          2.932753944206       4.640720696462       0.817753579892
H          1.548859330334       4.348744737657       2.432869753929
C          3.219283749007       4.381043755120      -0.521579286156
H          2.552621149024       3.384172760362      -2.312080153679
H          3.623369441843       5.226526190936       1.428996522237
H          4.135378871721       4.759614747426      -0.980257235067
C          0.260283599879       2.289590688446      -1.602121818213
S          0.172551030974      -0.319543497068      -2.141344153461
H          0.703410039674       2.254052067212      -2.606491103821
H         -0.735399381133       2.731177832711      -1.756289421173
C          1.780134039607      -0.119434119529      -3.135547375421
O          0.389778831311      -1.508112661051      -1.270452420408
O         -0.843348051615      -0.372885486389      -3.181649347205
F          2.751313195082       0.398125172678      -2.404369597689
F          1.556068338427       0.646470460071      -4.185504398478
F          2.117258162876      -1.331916946224      -3.531825181519
C          3.462422931460      -1.537203519706       0.314578514242
C          2.620619641292      -2.178817486369       1.305260590932
C          3.697274126545      -0.190547842774       0.744064978249
C          2.344900612077      -1.222451654552       2.351108698468
C          2.987229869079       0.017335823033       1.991688407362
C          2.997842866325       1.249924002866       2.800369361671
H          2.023744119418       1.442441864648       3.269307258589
H          3.728132679704       1.138682923991       3.618793043279
H          3.296751114889       2.123498258122       2.209494606951
C          1.532965174990      -1.437323178809       3.564683002454
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C          2.159268649593      -3.580228811448       1.251455756623
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H          5.436205342096       0.988697285672       0.671965521804
H          4.830010436065       0.542626019525      -0.931764745014
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C         -1.441229373768       2.091806424561       0.635829255527
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H         -0.106864591658       2.411738166390       2.260779600953
C         -1.198215979518       4.207580287495       1.849385781971
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H         -2.078841117016       3.918355085621       2.440812581300
H         -0.578375382711       4.861137306952       2.475529247237
H         -1.905059615148       2.631204573206      -0.199309248347
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C         -3.123695039741       0.545764530404      -1.196918911897
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C         -3.749672239049      -0.518323405593      -2.091592221325
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H         -4.495844035026      -0.043129949260      -2.739658381648
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H         -5.298904715900      -1.240228652745      -0.744270618161
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C         -2.704134537525      -3.653139759625       1.255637112028
H         -2.661572611470      -4.585286389758       1.815791540505
Se        -1.452016258053      -2.286578540005       1.502239361469
N         -2.153818599190      -0.096096561677      -0.271147349442
C         -4.179433653364       1.369770973126      -0.487848762754
C         -4.657812314358       2.521463943013      -1.123696100864
C         -4.725429718098       1.001549274554       0.746720179191
C         -5.659853567357       3.292298603509      -0.538459017066
H         -4.231614242578       2.818674283519      -2.087194111768
C         -5.728102648117       1.774199412035       1.333909423444
H         -4.360265174807       0.116211672142       1.277131804673
C         -6.197234910521       2.920802942546       0.694353553645
H         -6.018654955505       4.191031347532      -1.045365512055
H         -6.141716837740       1.477229976034       2.300393051757
H         -6.979591366788       3.525991400980       1.157737563649
N         -3.443214651271      -2.078235184131      -0.265637401853
N          0.121720521808       0.915976268497      -1.070346739031
Rh         1.593020110601      -0.520489063166       0.520576193398
C         -1.022113396961       0.685693656117       0.260376192919
O         -0.342437767522       0.040521799098       1.155974328286
85
TS2'_minor_1 charge=2 multiplicity=1
C          1.491487439918       3.122628446820      -0.386114046539
C          1.561242645213       2.449926500277      -1.627468356764
C          2.538275614207       4.006855616585      -0.066203612158
C          2.660761939259       2.675261844658      -2.473354440093
C          3.613588726829       4.229919883488      -0.916761790905
H          2.491448849925       4.559641527360       0.875223733276
C          3.681297294332       3.554472465965      -2.134754367419
H          2.699552808956       2.140512902731      -3.426930885213
H          4.396078761667       4.936611540327      -0.630623498206
H          4.518282450576       3.714174437389      -2.818060601659
C          0.491239363762       1.526147517860      -2.144896274248
S          0.240689853684      -1.103059148110      -1.932665940829
H          0.821848487506       1.128812150283      -3.114549423653
H         -0.450896793798       2.057419111464      -2.354053689482
C         -1.165357613828      -1.200395969268      -3.202531610933
O          1.429684888671      -1.242067648003      -2.768126155727
F         -1.735741079214      -0.008834817656      -3.362737500970
F         -2.069608547166      -2.071326296679      -2.785029313787
F         -0.673620766300      -1.596886260605      -4.357913889931
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C          3.836408601943       0.287855840029       1.246899371554
C          2.653546315922      -1.699427503812       1.537557992261
C          3.901736633611      -0.444454378785       0.007214178336
C          3.193948124819      -1.681826197396       0.191927781068
C          3.132363563920      -2.809034995853      -0.755429083013
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C          4.461937904732       1.592032986021       1.527086058967
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H          5.411104377570       1.414171701445       2.059836650905
C          2.753934488298      -0.115329556972       3.591702354775
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H          3.401621307643      -0.691696776663       4.271191068794
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C          1.913135541369      -2.821810901262       2.143341548338
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H          1.306450325641      -2.507565818031       3.000758962172
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C         -0.901863621716       2.250185630755       0.240124065619
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H         -1.347708386779       2.660355511997      -0.672735054483
C         -2.561054510100      -0.966724898720       0.676579142556
C         -3.218978372007       0.915415810057      -0.741949626426
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C         -3.073206608992      -3.001513482488       2.134594955214
H         -3.094565029703      -3.849914689879       2.816208452386
Se        -1.574691590650      -1.899035922496       1.968115085595
N         -2.181210215949       0.156089634504       0.010181160347
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C         -4.222497608525       1.746783056168       1.462859266438
C         -4.372125308243       3.123032612402      -0.511063656360
C         -4.935469546987       2.707208621782       2.181524401019
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C         -5.085523952341       4.081033812360       0.205759813463
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C         -5.369342399923       3.875254736927       1.556098278176
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H         -5.416455087787       4.995397395257      -0.292083929796
H         -5.924397154496       4.627284248444       2.121283685218
N         -3.782186811073      -1.511562366590       0.518460892844
C          0.824286146600       2.804005652463       2.039392128012
H          1.498471922735       1.939001303022       2.110600103452
H          1.376790260475       3.665830139261       2.436354009687
H         -0.020854119668       2.620422155558       2.716551995636
H         -0.059069026305       4.089642182705       0.619864668509
O         -0.095226245435      -2.082059293526      -0.903483986317
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Rh         1.858256062842      -0.034775938484       0.514536978774
C         -0.858347982597       0.731238355304       0.218849449389
O         -0.183235691021       0.129114798978       1.146915812514
85
TS2'_minor_2 charge=2 multiplicity=1
C          0.608374224008       3.652952419864      -0.726404645905
C          1.131153180231       2.797088161164      -1.715296791849
C          1.374449828168       4.751506460735      -0.322460802227
C          2.397805471002       3.038201820971      -2.256761065239
C          2.634261122582       4.992818527516      -0.874032585332
H          0.990403076500       5.439104217103       0.433711229577
C          3.155234589066       4.131165908872      -1.836072147166
H          2.785760713957       2.368900837632      -3.031108257338
H          3.209954625797       5.861632094434      -0.545864875572
H          4.141012593023       4.314226631138      -2.269892783759
C          0.300104842835       1.663771879495      -2.228645428775
S          0.689720398485      -0.928107574051      -2.012529515220
H          0.707153536133       1.324517929011      -3.187005673185
H         -0.727689964712       1.989926627491      -2.441657874492
C         -0.759493156950      -1.642114402217      -2.969565665703
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F         -0.301421245186      -2.523522801732      -3.832561256042
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F         -1.629643168927      -2.223060644668      -2.161514719448
C          2.835864877708      -0.164935388730       2.490310543473
C          3.404083246769       0.774773673122       1.559343644834
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C          4.062522194573       0.026701725254       0.502590703874
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C          4.341878865963      -2.477143637097      -0.095050906538
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C          4.779303758056       0.609071479204      -0.649596153219
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H          4.508269335508       1.656979313661      -0.822640164487
H          5.862957325407       0.579950655727      -0.451476156527
C          3.344955186828       2.246314334551       1.641849549679
H          3.150216972367       2.701315541827       0.659657130278
H          2.592033903294       2.597311485200       2.357366260767
H          4.322376756173       2.632020417380       1.974307076668
C          2.072877187924       0.160481153519       3.711122366898
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H          1.279167215566      -0.571535171745       3.905258721221
H          2.750294002109       0.145749426356       4.579491229637
C          2.693552292447      -2.765492299404       2.616552795052
H          2.523273307781      -3.554574886879       1.873893690397
H          3.496414814609      -3.117957142375       3.284567159086
H          1.789809808103      -2.647823826669       3.225982057760
C         -0.725279649609       3.306963215226      -0.097361032861
C         -0.591935577486       1.977905378386       0.671727714065
H          0.384155563352       2.000710522645       1.183424955920
H         -1.328679017223       1.958743012743       1.489692739566
C         -2.457963722076      -1.136547824105       0.356176664572
C         -3.017066246008       0.923132462248      -0.836443520467
H         -2.454090399989       1.491515514009      -1.587275550319
C         -4.020005835508       0.061840614728      -1.596549161947
H         -3.515108351379      -0.488887491856      -2.399710476712
H         -4.761586532042       0.715266664103      -2.071794265490
C         -4.706132367506      -0.892416274520      -0.662977106123
H         -5.297552685303      -1.641367997713      -1.202756416682
H         -5.382569495686      -0.374779791078       0.035790929645
C         -4.003043970557      -2.840208074456       0.696233396132
H         -5.002267710924      -3.233173095292       0.514031280682
C         -3.013997290800      -3.405432236761       1.410102697392
H         -3.057383591398      -4.363965140118       1.924057125782
Se        -1.480911303426      -2.334518080845       1.426732780244
N         -2.036651411198       0.054040435686      -0.144854479691
C         -3.719898336857       1.895523574525       0.090474212601
C         -4.244838236327       3.069881464789      -0.462891855105
C         -3.926817651750       1.636577105524       1.449209842988
C         -4.961552728837       3.967909008978       0.324014854201
H         -4.084666270719       3.281836706770      -1.524816987209
C         -4.642902694003       2.537550997609       2.239315494043
H         -3.520805365727       0.730653387320       1.910125204862
C         -5.161695668021       3.704040016464       1.679816478192
H         -5.360448076846       4.881769149553      -0.122257309985
H         -4.794780388804       2.323266920222       3.299721567406
H         -5.720126145225       4.408646434170       2.300159228849
N         -3.696478391544      -1.611088140005       0.123008238860
C         -1.235078974818       4.363888893303       0.867276217939
H         -0.559758545640       4.482865618120       1.728460813005
H         -1.337030937816       5.345170710001       0.383898651878
H         -2.220310686078       4.081855645566       1.263644213594
H         -1.470629871736       3.215067641500      -0.906405789551
N          0.246538638244       0.490896373080      -1.307254154280
O          0.943329939193      -1.893410616291      -0.916524754498
Rh         1.972785617800      -0.439699735328       0.595060394365
C         -0.672144075882       0.533688639270       0.135810269734
O         -0.087401830769      -0.280625540425       0.974159640535
103
TS1_major charge=2 multiplicity=1
C         -1.188179891350       4.282727323248       1.813725196277
H         -2.083840410769       3.966017040733       2.374044939042
H         -0.556405848806       4.807072321976       2.546644628939
C         -1.581072014032       5.245451493544       0.712331902905
H         -2.090540434652       6.127153911512       1.124876164287
H         -0.704396298669       5.613041811448       0.156905380879
H         -2.271797931861       4.798663585647      -0.019261709208
C         -2.453742615946      -1.294311099849       0.226995751004
C         -3.131196567560       0.570291534073      -1.215519061825
H         -2.511921182921       1.221139745138      -1.850157858848
C         -3.738399022844      -0.511909141271      -2.123718175418
H         -2.892952614616      -0.993486182722      -2.639980186627
C         -4.403301156569      -1.569242916251      -1.277547279973
H         -4.617586773278      -2.460051507727      -1.881035727745
H         -5.359818338649      -1.230452908957      -0.842647950946
C         -3.759886311100      -3.213809446924       0.464288719578
C         -2.810840040269      -3.536365987949       1.440591621325
Se        -1.496663276372      -2.187387146186       1.587135483406
C         -4.162766795894       1.427727412566      -0.510539575752
C         -4.460782772741       2.691980619923      -1.033552748488
C         -4.832354456151       1.004877675763       0.644234178908
C         -5.408237288241       3.512897649001      -0.426146390692
H         -3.928231238082       3.043257665455      -1.922875353289
C         -5.778728389309       1.827414215243       1.256087058054
H         -4.609356418975       0.035747920212       1.099745176486
C         -6.070465980812       3.082404917542       0.723399069684
H         -5.622444928733       4.497532518480      -0.848110236218
H         -6.287525918758       1.483950417534       2.159633471698
H         -6.808895630508       3.726106128857       1.206508394405
N         -3.517098014913      -2.000140761946      -0.195375013184
C         -4.679151284350       0.056633417080      -3.199165855376
H         -5.439104248196       0.676209295638      -2.687206277446
C         -5.413491912435      -1.049116380164      -3.944725457193
H         -6.113834880583      -1.607041431363      -3.307490188981
H         -6.004926858186      -0.627446367465      -4.768980863509
H         -4.709906367743      -1.772163263324      -4.387217472570
C         -3.925296423131       0.932093704505      -4.189306949245
H         -3.203475118134       0.337657270285      -4.769822145707
H         -4.619733073578       1.394070246942      -4.904629778991
H         -3.364729127632       1.749958680741      -3.714839330059
C         -2.917375836428      -4.717294086300       2.174557556746
H         -2.175333193602      -4.967471914682       2.935658104023
C         -4.844310180944      -4.058213567244       0.214039265059
H         -5.599929387640      -3.804992813061      -0.530239022943
C         -3.991899605471      -5.565550800937       1.919779030004
H         -4.091661256540      -6.493875772893       2.485561886905
C         -4.946041435824      -5.234269403498       0.951245856006
H         -5.788040220958      -5.904476634704       0.768311779004
C          0.843515530983       3.396208808614       0.629680296294
C          1.161723822808       3.122230322952      -0.716365240561
C          1.772551764757       4.134602433654       1.380401813096
C          2.370236704359       3.590329635579      -1.254318371910
C          2.961859619411       4.607743304644       0.836180147814
H          1.550269278215       4.343207257244       2.430932452063
C          3.264742288643       4.339110102678      -0.497692333004
H          2.605676675251       3.349483728130      -2.295550393762
H          3.652710905381       5.183756067408       1.456446589195
H          4.194453091378       4.699766017223      -0.943243816085
C          0.284264450774       2.301114380550      -1.621290835456
S          0.172676205748      -0.307656396521      -2.149371973627
H          0.737573976731       2.266119605892      -2.621528721199
H         -0.707012387397       2.752430737645      -1.783665790679
C          1.797464778916      -0.146785942281      -3.126183082318
O          0.350712539087      -1.494185581761      -1.265619797763
O         -0.828806103288      -0.348450206831      -3.204909434040
F          2.767055415047       0.380185638774      -2.397393099795
F          1.592292640630       0.598379351679      -4.195305862706
F          2.130690915533      -1.370057615933      -3.492590407037
C          3.407456427998      -1.567882477068       0.343592255912
C          2.535849666719      -2.170811711440       1.334339711014
C          3.682288328183      -0.225781561033       0.760989127411
C          2.290159778198      -1.197336368035       2.370877500822
C          2.970180648926       0.019064124380       1.999839272097
C          3.015454785283       1.255243721343       2.801530264395
H          2.048062619005       1.479429332103       3.269625766619
H          3.740272507824       1.123683741335       3.621997370443
H          3.342508791368       2.118766780683       2.211442382702
C          1.475465054693      -1.366479262710       3.589950386431
H          2.149515061290      -1.456505565840       4.456755366920
H          0.838600151464      -0.491118949503       3.775814588211
H          0.848133063502      -2.264172825139       3.562433933882
C          2.018600649432      -3.551338240864       1.270588182468
H          2.827341183339      -4.251058725559       1.536283540910
H          1.187855283760      -3.721434030243       1.964887777067
H          1.693944916370      -3.814266480828       0.255273282154
C          3.940203955046      -2.272480050391      -0.842098898251
H          4.751053818012      -2.946377234846      -0.523125117352
H          3.178375007890      -2.901314877298      -1.321211230989
H          4.355073771491      -1.587851541162      -1.589767794560
C          4.536771543125       0.771466918128       0.088198607977
H          4.064399963083       1.763980664111       0.044736070381
H          5.459175031764       0.896947934464       0.678164503000
H          4.829278982230       0.470014891022      -0.922217090483
C         -0.446842268179       3.015033584209       1.336941070041
C         -1.454996962008       2.136543546889       0.603380593111
H         -2.302537088375       1.996412654410       1.293938858651
H         -0.153195451074       2.461238694726       2.246363839799
H         -1.891612603584       2.652782397929      -0.257319720739
N         -2.175241114446      -0.068470774809      -0.266095692873
N          0.132465796059       0.930858201661      -1.089772411988
Rh         1.568589872986      -0.493053939332       0.526572855899
C         -1.050194595651       0.719691458715       0.269484451177
O         -0.365755690294       0.090567012499       1.161507952807
103
TS2_minor_1 charge=2 multiplicity=1
C          0.782011043457       2.742477715763       2.009447099615
H          1.366267150397       1.808728563359       2.054208211105
H          1.494419575362       3.529833887578       2.298094418328
C         -0.325981483683       2.682727736198       3.038660948750
H         -0.975199523565       3.571528016129       2.992625197607
H         -0.967765820225       1.796721992382       2.918609338452
H          0.088380858554       2.639359882350       4.055778053950
C         -4.126264752766      -2.569692708932       1.417757317604
C         -3.061748427639      -2.972134140145       2.232434341400
H         -0.082539710055       4.053166032871       0.598757499477
C         -5.323214866566       0.587278767276      -2.258880755524
H         -5.818437407248       1.351622684264      -1.632138220389
C         -6.390771455596      -0.401156866944      -2.708256576421
H         -6.994392271649      -0.793466962240      -1.878215489042
H         -7.089596159723       0.083397248203      -3.403828952421
H         -5.947492311392      -1.258486282631      -3.239787150934
C         -4.717229895901       1.273308928823      -3.473644607490
H         -4.305223714058       0.534834696259      -4.178319178695
H         -5.481160066994       1.848797953801      -4.014434748180
H         -3.906372012777       1.971094019792      -3.222507549789
C         -3.210914771369      -4.035707373914       3.121997807636
H         -2.378655090235      -4.352762089204       3.753543954213
C         -5.367754406021      -3.207718471710       1.493727826501
H         -6.210072948361      -2.891718493956       0.877357835813
C         -4.443296197153      -4.678809338163       3.193039257864
H         -4.577702207756      -5.510919684543       3.886943093222
C         -5.510479024601      -4.263629569932       2.388309386649
H         -6.473742095649      -4.772050798606       2.460073096784
C         -2.583596413901      -0.984255983877       0.676941046351
C         -3.262440813435       0.890080733087      -0.743829174021
H         -2.734132625727       1.412325762705      -1.550991445223
C         -4.246573282709      -0.093955124537      -1.396122889801
H         -3.656386292705      -0.745149729430      -2.058694259217
C         -4.850448620406      -0.973697173838      -0.330908869040
H         -5.346317369458      -1.839499264633      -0.785823437149
H         -5.604350463753      -0.440686089675       0.275317168747
Se        -1.536778126841      -1.896981004422       1.946206602633
N         -2.210425625076       0.121823755194      -0.012681415533
C         -3.934766237616       1.920966888409       0.143480352361
C         -4.248678921166       1.673254525320       1.485719052564
C         -4.255072171105       3.171834126730      -0.399611343139
C         -4.870951927234       2.652016299389       2.261288872220
H         -3.990019823495       0.721689411920       1.959053209776
C         -4.881061324778       4.147677467968       0.372334732334
H         -3.996137005664       3.386907458599      -1.440535540095
C         -5.190629287958       3.890724265343       1.707964305504
H         -5.101840732432       2.442745205723       3.308267117714
H         -5.118814212765       5.117784817683      -0.069958536577
H         -5.674102627072       4.657034694895       2.317988993591
N         -3.821142983269      -1.497156369047       0.567396940750
O         -0.208503962094      -2.110959217330      -1.053252279489
N          0.206603963799       0.366605556471      -1.310162500786
Rh         1.864989696657      -0.041661869722       0.469962129694
C         -0.891917558681       0.705205887379       0.184752258251
O         -0.196120091164       0.100866768551       1.083080169215
C          1.472114549983       3.103596892461      -0.426264737731
C          1.566034063944       2.422801382359      -1.665999290370
C          2.506935453675       4.001474785465      -0.103207289299
C          2.677459888963       2.645843435927      -2.496905004504
C          3.597222228970       4.214979560982      -0.936526065664
H          2.442016362577       4.571983074068       0.826405038250
C          3.691342593792       3.527303224330      -2.145351676508
H          2.732052443512       2.106527878986      -3.446912481179
H          4.371247275421       4.928638157217      -0.644434847144
H          4.541599811455       3.683021401508      -2.812996097037
C          0.511453957542       1.496124138919      -2.207543692864
S          0.215276951809      -1.116379584271      -2.036590369518
H          0.863362323934       1.109650972120      -3.174873661306
H         -0.422139612030       2.034438005337      -2.436727717243
C         -1.139140162558      -1.096723836976      -3.369444283302
O          1.433327889085      -1.285875835311      -2.824694410090
F         -1.762949945687       0.079621113021      -3.377917026203
F         -2.017113190935      -2.055218836523      -3.121480906667
F         -0.594172200409      -1.296085813764      -4.552475230600
C          2.985938992667      -0.491774957875       2.192192990055
C          3.798685670669       0.304656827894       1.300300002722
C          2.639429564442      -1.704842625510       1.498331229358
C          3.938094409238      -0.405679766574       0.053588511525
C          3.237051405273      -1.654717189052       0.178474509675
C          3.205137202947      -2.755733319754      -0.800858966009
H          3.896464400079      -3.538359221079      -0.445640244879
H          2.214575949616      -3.221746015696      -0.873171212572
H          3.528927212031      -2.444731145214      -1.798238139867
C          4.709894239178       0.034947837501      -1.125263534574
H          5.710175060161      -0.426128904881      -1.102425817480
H          4.233902347575      -0.274914868661      -2.064734688042
H          4.850504460677       1.121961271345      -1.148398023726
C          4.374879468793       1.620889722703       1.629459820702
H          4.690320401374       2.181780466347       0.742117916004
H          3.692288328390       2.244544859326       2.217933280688
H          5.271473403706       1.459905890953       2.251154872150
C          2.586008531881      -0.150666461386       3.575333372065
H          1.528342899454      -0.384787177470       3.761864127355
H          3.174593062697      -0.753115487529       4.285237750939
H          2.757691005936       0.904861799121       3.814319309560
C          1.891986699420      -2.845362242049       2.052250367085
H          2.616754371556      -3.592376775177       2.417295524797
H          1.265911724887      -2.559495807474       2.905442660569
H          1.278141718058      -3.346288163299       1.292484550876
C          0.315797423548       3.021417352540       0.565591037046
C         -0.921755218784       2.220784481046       0.162959481635
H         -1.697978256203       2.476011179329       0.897875449396
H         -1.318368448743       2.606669566183      -0.781852988813
103
TS2_minor_2 charge=2 multiplicity=1
C         -1.223972503365       4.396012741802       0.787221103709
H         -0.480242591567       4.591380855422       1.580063092691
H         -2.098411092093       3.984887973050       1.317243583485
C         -1.626281678545       5.679338321795       0.092845391347
H         -2.029288865231       6.410956638933       0.807216504212
H         -0.790564527628       6.164393737047      -0.431728503654
H         -2.409490006680       5.493813779523      -0.658141168840
C         -2.507320185701      -1.090520666223       0.346290720739
C         -3.038984044604       0.970618726189      -0.835812917321
H         -2.464835958267       1.578528702079      -1.542253093687
C         -4.000793530962       0.106533600668      -1.672259783057
H         -3.368429293304      -0.505749748685      -2.335432853939
C         -4.721329725556      -0.839868143428      -0.745729251498
H         -5.246294262445      -1.618924159386      -1.311152663053
H         -5.469966705508      -0.325122446686      -0.118111236910
C         -4.140274386622      -2.704053870092       0.782653758839
C         -3.118858323278      -3.290045657184       1.538006358859
Se        -1.536974119318      -2.260232220690       1.464560923885
C         -3.739051163389       1.894362709360       0.143293592538
C         -4.185438578596       3.143742406935      -0.307959809670
C         -3.990472505381       1.536939241924       1.474428267952
C         -4.870487283584       4.009947440099       0.541580724079
H         -3.979842340345       3.449857785304      -1.337913578255
C         -4.669513778522       2.406536983516       2.328028766122
H         -3.644109256900       0.579143376847       1.873175510643
C         -5.113798966849       3.644439380567       1.864757108777
H         -5.202427693552       4.981926021591       0.169067596187
H         -4.849740682268       2.111918278173       3.364374007375
H         -5.643038141874       4.324565629250       2.535900657389
N         -3.762743491568      -1.522638014598       0.126130068782
H         -1.434770252064       3.222051552935      -0.968977867452
C         -4.945563751862       0.908505576557      -2.579662173924
H         -5.474685660730       1.651308621674      -1.955507395114
C         -5.999403757882       0.015189719898      -3.218557066568
H         -6.603198135936       0.588313093295      -3.935335920150
H         -5.539950781503      -0.818124254794      -3.773801268586
H         -6.698997968395      -0.411881577747      -2.486995471169
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