92
Coordinates from ORCA-job orca E -6200.413693237073
  N      -2.599962      4.399255      7.346714
  Mo     -2.244497      2.859244      6.154403
  N      -2.451401      1.464545      7.523192
  C      -1.380160      1.273427      8.475534
  C      -0.651260      2.595688      8.722294
  N      -0.376325      3.269451      7.445224
  C      -0.256771      4.718721      7.637455
  C      -1.645202      5.286000      7.945468
  C       0.832768      2.744971      6.801810
  C       0.533865      2.695641      5.296203
  N      -0.726226      2.013444      5.159393
  H      -1.737151      6.308600      7.539852
  H      -1.816074      5.360364      9.034066
  H       0.110561      5.151875      6.704239
  H       0.454481      4.949290      8.440981
  H       1.349722      2.197849      4.760105
  H       0.451911      3.718865      4.904315
  H       1.011105      1.722813      7.144528
  H       1.710793      3.357291      7.029658
  H      -1.754430      0.903203      9.440835
  H      -0.668450      0.517594      8.095722
  H      -1.310113      3.233539      9.315019
  H       0.276544      2.430607      9.283566
  C      -3.971773      4.726618      7.584380
  C      -4.727517      3.938551      6.568820
  C      -5.974842      4.192833      6.148260
  C      -6.634081      3.542740      5.041935
  N      -5.847122      2.997135      4.095086
  C      -6.438812      2.482707      3.023154
  N      -7.704808      2.494177      2.720331
  C      -8.545245      3.010136      3.658397
  C      -9.925599      3.002972      3.408620
  C     -10.798732      3.490716      4.349602
  C     -10.320891      3.995811      5.561725
  C      -8.973594      4.022471      5.826964
  C      -8.050823      3.548533      4.879178
  C      -0.642713      0.723183      4.495792
  C      -1.398653     -0.368234      5.187232
  C      -2.341643     -1.177862      4.668926
  C      -2.976848     -1.122369      3.373548
  N      -2.927822      0.026421      2.677128
  C      -3.642877      0.111513      1.562169
  N      -4.434062     -0.786008      1.047069
  C      -4.474514     -1.990470      1.677468
  C      -5.278404     -3.006685      1.137097
  C      -5.312644     -4.243793      1.729430
  C      -4.542225     -4.502392      2.867597
  C      -3.758538     -3.520928      3.423492
  C      -3.716693     -2.234798      2.858364
  C      -3.559269      0.547970      7.717601
  C      -4.766598      1.253441      8.259682
  C      -6.010727      1.271074      7.749919
  C      -6.507376      0.689792      6.524154
  N      -5.630709      0.271991      5.598084
  C      -6.109546     -0.159046      4.436080
  N      -7.352134     -0.348299      4.096631
  C      -8.285024      0.018098      5.015769
  C      -9.641585     -0.153466      4.696703
  C     -10.614376      0.225485      5.587068
  C     -10.259644      0.776167      6.821534
  C      -8.940034      0.951086      7.157910
  C      -7.913706      0.579375      6.270453
  H      -4.165325      5.810369      7.468247
  H      -4.280574      4.457125      8.617962
  H      -4.136980      3.083270      6.200743
  H      -6.541067      4.975331      6.641548
  H      -5.772949      2.038529      2.287933
  H     -10.264952      2.595527      2.469659
  H     -11.859954      3.481417      4.155657
  H     -11.017920      4.368391      6.296220
  H      -8.618986      4.405848      6.772016
  H       0.409491      0.396189      4.470881
  H      -0.980690      0.802477      3.452176
  H      -1.058251     -0.583711      6.192184
  H      -2.694667     -1.985223      5.297338
  H      -3.571517      1.061817      1.037660
  H      -5.847345     -2.778728      0.250105
  H      -5.927496     -5.026076      1.312174
  H      -4.561529     -5.487585      3.310668
  H      -3.157599     -3.746469      4.290951
  H      -3.285875     -0.245939      8.432036
  H      -3.823777      0.068751      6.775009
  H      -4.597721      1.778492      9.193624
  H      -6.758605      1.803804      8.320682
  H      -5.373414     -0.405727      3.689888
  H      -9.877483     -0.580341      3.734582
  H     -11.655612      0.097123      5.337193
  H     -11.030693      1.064288      7.518365
  H      -8.696235      1.366627      8.123841
  N      -2.212491      4.307340      4.592708
  H      -2.970822      4.488792      3.925860
  H      -1.436102      4.942932      4.378418
92
Coordinates from ORCA-job orca E -6200.433034571824
  N      -2.560935      4.443827      7.326381
  Mo     -2.217360      2.879661      6.152335
  N      -2.455413      1.489127      7.544003
  C      -1.380059      1.308554      8.507322
  C      -0.650323      2.626580      8.747460
  N      -0.357082      3.288646      7.455434
  C      -0.223675      4.747803      7.627698
  C      -1.602847      5.327879      7.921717
  C       0.857934      2.738966      6.821413
  C       0.570786      2.677839      5.321886
  N      -0.698933      2.004423      5.192722
  H      -1.680069      6.348099      7.499859
  H      -1.780958      5.420140      9.011590
  H       0.157301      5.163236      6.687149
  H       0.489981      4.978624      8.432526
  H       1.383118      2.159892      4.794534
  H       0.505988      3.701064      4.912105
  H       1.021302      1.716555      7.182209
  H       1.742194      3.347846      7.054447
  H      -1.761394      0.948036      9.475798
  H      -0.667164      0.543211      8.139141
  H      -1.308337      3.279622      9.330425
  H       0.277716      2.464276      9.316039
  C      -3.943805      4.788624      7.532315
  C      -4.712691      4.000766      6.518306
  C      -5.947005      4.255233      6.068931
  C      -6.593930      3.563757      4.968161
  N      -5.796239      2.967671      4.067552
  C      -6.380529      2.390754      3.004160
  N      -7.658286      2.377234      2.695011
  C      -8.503315      2.949542      3.599778
  C      -9.889791      2.946714      3.337286
  C     -10.765357      3.514166      4.237178
  C     -10.287991      4.098491      5.425790
  C      -8.938535      4.122627      5.702906
  C      -8.011674      3.570605      4.790717
  C      -0.651892      0.694337      4.551109
  C      -1.453380     -0.377354      5.229664
  C      -2.406210     -1.159788      4.681535
  C      -3.001637     -1.074504      3.355548
  N      -2.897967      0.077763      2.674627
  C      -3.567063      0.191317      1.516325
  N      -4.361421     -0.694743      0.956620
  C      -4.453405     -1.903112      1.583590
  C      -5.259375     -2.907179      1.004808
  C      -5.341932     -4.149817      1.592647
  C      -4.618017     -4.431282      2.767826
  C      -3.835233     -3.464775      3.362101
  C      -3.746189     -2.169922      2.801126
  C      -3.563112      0.552733      7.758371
  C      -4.782525      1.211201      8.336016
  C      -6.040495      1.190188      7.854933
  C      -6.545885      0.604479      6.622421
  N      -5.675915      0.220470      5.677872
  C      -6.165267     -0.211336      4.505725
  N      -7.423587     -0.396760      4.174582
  C      -8.347669     -0.053653      5.118115
  C      -9.714855     -0.243040      4.824448
  C     -10.674898      0.089150      5.753663
  C     -10.299228      0.611735      7.005737
  C      -8.971290      0.803197      7.318484
  C      -7.957031      0.474090      6.390813
  H      -4.118109      5.873670      7.396279
  H      -4.270773      4.539196      8.567793
  H      -4.141304      3.119469      6.166985
  H      -6.511966      5.063322      6.536332
  H      -5.703840      1.898964      2.300326
  H     -10.231122      2.479747      2.416550
  H     -11.833865      3.507643      4.032028
  H     -10.991592      4.533737      6.132394
  H      -8.584419      4.568583      6.630268
  H       0.395556      0.342139      4.545492
  H      -0.976010      0.778277      3.502334
  H      -1.143667     -0.604288      6.250532
  H      -2.798627     -1.966000      5.300610
  H      -3.448318      1.147375      0.997218
  H      -5.792004     -2.664163      0.088587
  H      -5.960027     -4.924378      1.143433
  H      -4.674629     -5.425016      3.208133
  H      -3.269756     -3.711105      4.257597
  H      -3.254925     -0.233913      8.470109
  H      -3.829727      0.062642      6.818252
  H      -4.610987      1.740259      9.276741
  H      -6.794206      1.701957      8.451238
  H      -5.424140     -0.441393      3.740988
  H      -9.969132     -0.650062      3.848599
  H     -11.728389     -0.053041      5.522510
  H     -11.065456      0.865942      7.734851
  H      -8.710198      1.196219      8.298292
  N      -2.214143      4.278822      4.563914
  H      -2.980369      4.437036      3.906851
  H      -1.446614      4.908441      4.324029
92
Coordinates from ORCA-job orca E -6200.443395676642
  N      -2.537547      4.451634      7.324104
  Mo     -2.194787      2.877844      6.151592
  N      -2.452393      1.482449      7.560246
  C      -1.369633      1.318086      8.532124
  C      -0.645776      2.635812      8.764936
  N      -0.343251      3.297410      7.461584
  C      -0.210476      4.765405      7.626247
  C      -1.585866      5.339497      7.919052
  C       0.880837      2.741848      6.828457
  C       0.600318      2.677912      5.335938
  N      -0.671364      2.002829      5.218060
  H      -1.663277      6.360048      7.492426
  H      -1.766107      5.436905      9.010822
  H       0.176527      5.172740      6.681520
  H       0.507187      4.995022      8.430145
  H       1.410190      2.150972      4.809340
  H       0.540253      3.700042      4.913644
  H       1.040338      1.720320      7.200458
  H       1.763278      3.354969      7.070836
  H      -1.753347      0.965459      9.504044
  H      -0.655062      0.546588      8.173028
  H      -1.304337      3.298862      9.339737
  H       0.284947      2.483147      9.336301
  C      -3.935295      4.787499      7.508119
  C      -4.716812      4.001847      6.494947
  C      -5.944795      4.243637      6.030885
  C      -6.571941      3.533438      4.917366
  N      -5.757443      2.980025      4.013840
  C      -6.331669      2.397415      2.930905
  N      -7.621030      2.337218      2.633516
  C      -8.475556      2.863867      3.557746
  C      -9.871572      2.813064      3.313432
  C     -10.755749      3.339792      4.233550
  C     -10.282489      3.934020      5.430059
  C      -8.928082      4.006244      5.689755
  C      -7.992404      3.493656      4.753768
  C      -0.655376      0.677543      4.595094
  C      -1.488376     -0.380102      5.262408
  C      -2.446303     -1.140257      4.687683
  C      -3.008363     -1.024870      3.336361
  N      -2.865772      0.132078      2.679234
  C      -3.492940      0.271039      1.485808
  N      -4.283068     -0.605119      0.883645
  C      -4.412625     -1.817850      1.501195
  C      -5.214709     -2.812219      0.886000
  C      -5.332846     -4.060758      1.462664
  C      -4.648859     -4.363601      2.666148
  C      -3.872702     -3.409854      3.296305
  C      -3.749370     -2.106025      2.745302
  C      -3.567487      0.544088      7.789582
  C      -4.773337      1.232474      8.363141
  C      -6.037096      1.219546      7.890942
  C      -6.565410      0.569406      6.688160
  N      -5.711454      0.065776      5.791102
  C      -6.217565     -0.452639      4.649208
  N      -7.491356     -0.585593      4.315227
  C      -8.398351     -0.102380      5.216393
  C      -9.779747     -0.227491      4.924986
  C     -10.721876      0.238997      5.819025
  C     -10.318447      0.837810      7.037867
  C      -8.979117      0.969460      7.349002
  C      -7.982092      0.502043      6.453311
  H      -4.105859      5.872065      7.364131
  H      -4.267534      4.542173      8.543415
  H      -4.163960      3.103659      6.145210
  H      -6.517969      5.052104      6.497001
  H      -5.641322      1.941046      2.213488
  H     -10.211156      2.341290      2.387855
  H     -11.831621      3.295484      4.042001
  H     -10.996308      4.337064      6.153803
  H      -8.577842      4.456961      6.622141
  H       0.389734      0.311518      4.602982
  H      -0.973350      0.766694      3.544470
  H      -1.203968     -0.618015      6.293325
  H      -2.867278     -1.946979      5.294541
  H      -3.338268      1.231699      0.978487
  H      -5.715715     -2.555781     -0.050924
  H      -5.948315     -4.827604      0.984064
  H      -4.733222     -5.364455      3.097751
  H      -3.339205     -3.675651      4.211583
  H      -3.251708     -0.229878      8.514381
  H      -3.841304      0.039275      6.857705
  H      -4.586603      1.799455      9.285005
  H      -6.772914      1.789739      8.464436
  H      -5.475824     -0.799169      3.918595
  H     -10.058610     -0.696589      3.978029
  H     -11.786998      0.145354      5.588826
  H     -11.075018      1.198427      7.740407
  H      -8.696400      1.424059      8.301106
  N      -2.273794      4.212733      4.540831
  H      -3.064123      4.327939      3.907511
  H      -1.530336      4.849920      4.259778
92
Coordinates from ORCA-job orca E -6200.451833102814
  N      -2.506676      4.473543      7.309564
  Mo     -2.173713      2.881798      6.150284
  N      -2.457454      1.488248      7.577045
  C      -1.369428      1.337265      8.553914
  C      -0.645198      2.652482      8.778671
  N      -0.329113      3.305148      7.466788
  C      -0.186636      4.778306      7.616680
  C      -1.556606      5.361923      7.900646
  C       0.898308      2.733727      6.842065
  C       0.624327      2.660706      5.353726
  N      -0.652727      1.995484      5.248004
  H      -1.624824      6.379694      7.463895
  H      -1.740632      5.472774      8.991241
  H       0.210971      5.167392      6.668172
  H       0.534273      5.005415      8.418759
  H       1.426858      2.117283      4.830627
  H       0.576173      3.676948      4.915089
  H       1.045616      1.716070      7.230209
  H       1.780835      3.344880      7.092132
  H      -1.756298      0.993429      9.528122
  H      -0.657268      0.558877      8.203640
  H      -1.299842      3.329493      9.341846
  H       0.285595      2.505765      9.352185
  C      -3.912097      4.814860      7.463898
  C      -4.709728      4.028562      6.460362
  C      -5.928694      4.263010      5.975850
  C      -6.543021      3.505516      4.877560
  N      -5.718915      2.878259      4.040700
  C      -6.283618      2.237429      2.977541
  N      -7.569749      2.189015      2.652571
  C      -8.430017      2.802169      3.515281
  C      -9.822297      2.785926      3.231736
  C     -10.709765      3.409779      4.084409
  C     -10.248255      4.070790      5.254831
  C      -8.900169      4.110365      5.552000
  C      -7.959459      3.497634      4.680221
  C      -0.673592      0.658650      4.644648
  C      -1.545681     -0.376117      5.298181
  C      -2.510049     -1.109999      4.699247
  C      -3.041874     -0.968537      3.329920
  N      -2.869076      0.191498      2.695407
  C      -3.455342      0.348543      1.477432
  N      -4.234619     -0.515955      0.839797
  C      -4.395399     -1.730755      1.445585
  C      -5.189300     -2.714337      0.797786
  C      -5.336527     -3.966308      1.359940
  C      -4.690131     -4.287772      2.582934
  C      -3.924301     -3.346844      3.244662
  C      -3.774054     -2.037376      2.707509
  C      -3.568358      0.543866      7.811262
  C      -4.771492      1.219391      8.404610
  C      -6.045315      1.193380      7.956145
  C      -6.585496      0.551764      6.746033
  N      -5.741899      0.103563      5.815148
  C      -6.263589     -0.406338      4.670758
  N      -7.544032     -0.564235      4.364456
  C      -8.437148     -0.137110      5.306233
  C      -9.824293     -0.306964      5.056202
  C     -10.752167      0.088333      5.997921
  C     -10.332203      0.661959      7.226923
  C      -8.989212      0.838768      7.498716
  C      -8.005583      0.441484      6.551749
  H      -4.068369      5.898644      7.301714
  H      -4.253494      4.586349      8.498885
  H      -4.188000      3.105075      6.120196
  H      -6.494495      5.097713      6.404598
  H      -5.589019      1.717924      2.311284
  H     -10.154629      2.263643      2.330220
  H     -11.781238      3.392695      3.863089
  H     -10.967784      4.549675      5.925380
  H      -8.560351      4.613955      6.461103
  H       0.364382      0.271349      4.670151
  H      -0.979593      0.754271      3.591502
  H      -1.290279     -0.624334      6.334550
  H      -2.957990     -1.912292      5.292386
  H      -3.270920      1.309362      0.982939
  H      -5.659721     -2.446347     -0.152382
  H      -5.944848     -4.723476      0.856298
  H      -4.796717     -5.292048      3.002341
  H      -3.420985     -3.629431      4.172124
  H      -3.231225     -0.227978      8.528979
  H      -3.845070      0.039056      6.881224
  H      -4.580462      1.780981      9.329860
  H      -6.777676      1.738714      8.557288
  H      -5.526512     -0.715000      3.917108
  H     -10.118713     -0.755303      4.103248
  H     -11.820641     -0.041145      5.800041
  H     -11.079709      0.966114      7.965817
  H      -8.692527      1.270038      8.457377
  N      -2.337110      4.134834      4.516413
  H      -3.155339      4.203411      3.911784
  H      -1.616602      4.774595      4.185264
92
Coordinates from ORCA-job orca E -6200.459810663637
  N      -2.490694      4.476682      7.297340
  Mo     -2.159625      2.879689      6.143462
  N      -2.464571      1.487716      7.578338
  C      -1.377559      1.341259      8.557159
  C      -0.652118      2.653318      8.784183
  N      -0.321783      3.301150      7.474152
  C      -0.174125      4.774167      7.618061
  C      -1.544410      5.364231      7.893528
  C       0.908647      2.723057      6.861798
  C       0.643095      2.649121      5.371624
  N      -0.636627      1.992959      5.267192
  H      -1.605907      6.381668      7.456163
  H      -1.733251      5.478751      8.982163
  H       0.232982      5.152754      6.670404
  H       0.546211      4.997117      8.421061
  H       1.439904      2.095809      4.850486
  H       0.605481      3.661300      4.926737
  H       1.046925      1.707985      7.257216
  H       1.787649      3.332330      7.124504
  H      -1.770389      1.000889      9.530139
  H      -0.668421      0.558560      8.213211
  H      -1.304733      3.338593      9.337847
  H       0.275283      2.508083      9.361945
  C      -3.897439      4.822763      7.429043
  C      -4.705385      4.043894      6.430374
  C      -5.921157      4.285275      5.936920
  C      -6.531640      3.516277      4.843690
  N      -5.705418      2.880819      4.016058
  C      -6.270038      2.227657      2.962696
  N      -7.552987      2.165844      2.645781
  C      -8.414709      2.787332      3.499588
  C      -9.805430      2.762540      3.216396
  C     -10.692574      3.400331      4.054993
  C     -10.233797      4.083679      5.210850
  C      -8.887812      4.131265      5.507486
  C      -7.947679      3.504121      4.648906
  C      -0.674630      0.655554      4.665270
  C      -1.577590     -0.360452      5.302439
  C      -2.544382     -1.076741      4.688083
  C      -3.059627     -0.926061      3.313119
  N      -2.884679      0.237319      2.688055
  C      -3.442285      0.389603      1.458876
  N      -4.198154     -0.477150      0.804502
  C      -4.367618     -1.691492      1.405912
  C      -5.143690     -2.676513      0.742210
  C      -5.297381     -3.927582      1.299221
  C      -4.675509     -4.247384      2.532715
  C      -3.928243     -3.305123      3.209481
  C      -3.773395     -1.996854      2.676911
  C      -3.573635      0.548118      7.815787
  C      -4.770095      1.214559      8.428395
  C      -6.049799      1.179690      8.000229
  C      -6.599885      0.521601      6.804030
  N      -5.761446      0.050481      5.881006
  C      -6.288088     -0.483130      4.752618
  N      -7.566497     -0.623066      4.445787
  C      -8.453983     -0.166059      5.376871
  C      -9.841340     -0.322739      5.127115
  C     -10.764761      0.090265      6.062078
  C     -10.342052      0.670996      7.283908
  C      -8.999666      0.837705      7.554896
  C      -8.020356      0.420962      6.614209
  H      -4.042815      5.906984      7.260268
  H      -4.246496      4.601196      8.461695
  H      -4.215922      3.099525      6.090610
  H      -6.479348      5.131029      6.349708
  H      -5.575971      1.704320      2.301937
  H     -10.136103      2.224103      2.326452
  H     -11.761970      3.377739      3.835033
  H     -10.954241      4.572017      5.869753
  H      -8.550416      4.651042      6.405430
  H       0.356207      0.252802      4.709977
  H      -0.962196      0.759788      3.608256
  H      -1.346303     -0.615525      6.340334
  H      -3.006555     -1.874944      5.272101
  H      -3.253590      1.350602      0.970399
  H      -5.594804     -2.410417     -0.215279
  H      -5.891377     -4.685316      0.784286
  H      -4.787003     -5.250703      2.947830
  H      -3.444042     -3.586683      4.144850
  H      -3.222720     -0.224732      8.524648
  H      -3.857348      0.047678      6.886630
  H      -4.569421      1.782426      9.345187
  H      -6.773553      1.728268      8.604581
  H      -5.553112     -0.821759      4.013507
  H     -10.139620     -0.777933      4.181095
  H     -11.832133     -0.030382      5.865247
  H     -11.086927      0.989117      8.016034
  H      -8.700423      1.275524      8.507131
  N      -2.414005      4.053213      4.493862
  H      -3.262339      4.077906      3.925682
  H      -1.718184      4.691189      4.107795
92
Coordinates from ORCA-job orca E -6200.467671185695
  N      -2.478937      4.467468      7.285160
  Mo     -2.144299      2.868866      6.138442
  N      -2.460684      1.480686      7.577696
  C      -1.376143      1.340725      8.559022
  C      -0.651181      2.652269      8.788721
  N      -0.309711      3.296916      7.482093
  C      -0.164824      4.769714      7.619311
  C      -1.539043      5.360483      7.884370
  C       0.924246      2.720408      6.878782
  C       0.663918      2.646890      5.384413
  N      -0.616212      1.993169      5.281521
  H      -1.599874      6.376868      7.446097
  H      -1.731745      5.477850      8.971371
  H       0.248313      5.141358      6.672048
  H       0.553085      4.994853      8.423615
  H       1.457368      2.089545      4.862867
  H       0.631090      3.656837      4.937394
  H       1.061012      1.706879      7.276943
  H       1.798058      3.331427      7.151549
  H      -1.774287      1.002505      9.530773
  H      -0.666939      0.555971      8.221357
  H      -1.305240      3.341810      9.334370
  H       0.272380      2.509566      9.372662
  C      -3.886455      4.811694      7.403715
  C      -4.704007      4.034357      6.415595
  C      -5.924104      4.282085      5.927431
  C      -6.540360      3.512241      4.840803
  N      -5.718396      2.870527      4.010833
  C      -6.287834      2.221990      2.961592
  N      -7.566820      2.166338      2.648786
  C      -8.426516      2.794555      3.500333
  C      -9.815466      2.772849      3.218225
  C     -10.699233      3.414384      4.055657
  C     -10.238201      4.096600      5.207653
  C      -8.892925      4.139845      5.503562
  C      -7.957040      3.507370      4.648075
  C      -0.656958      0.656442      4.676246
  C      -1.573297     -0.349231      5.307184
  C      -2.542569     -1.057744      4.690735
  C      -3.057913     -0.902624      3.320137
  N      -2.892698      0.267511      2.703131
  C      -3.440741      0.416315      1.473486
  N      -4.179821     -0.453302      0.812253
  C      -4.345939     -1.671185      1.406423
  C      -5.109728     -2.657344      0.734019
  C      -5.257039     -3.911025      1.283380
  C      -4.640495     -4.231324      2.516246
  C      -3.905115     -3.287295      3.200999
  C      -3.758558     -1.977358      2.676789
  C      -3.568671      0.546396      7.806511
  C      -4.764246      1.211699      8.420123
  C      -6.045502      1.179779      7.995730
  C      -6.603478      0.519923      6.806147
  N      -5.772574      0.037152      5.880466
  C      -6.306677     -0.506662      4.763999
  N      -7.583390     -0.637544      4.464104
  C      -8.464438     -0.167297      5.394216
  C      -9.852078     -0.311899      5.146977
  C     -10.769948      0.113783      6.079618
  C     -10.341361      0.696923      7.294993
  C      -8.998289      0.854703      7.561963
  C      -8.025165      0.426116      6.623219
  H      -4.029562      5.895562      7.229473
  H      -4.236163      4.595424      8.436962
  H      -4.247750      3.073036      6.072785
  H      -6.473827      5.136363      6.331585
  H      -5.596930      1.697267      2.298494
  H     -10.148128      2.234335      2.330528
  H     -11.767892      3.395876      3.837582
  H     -10.956803      4.587651      5.864545
  H      -8.553627      4.658655      6.399854
  H       0.370326      0.247812      4.732609
  H      -0.932231      0.765054      3.615975
  H      -1.351132     -0.607552      6.344828
  H      -3.007557     -1.854426      5.273033
  H      -3.258584      1.381004      0.990311
  H      -5.556615     -2.390414     -0.223846
  H      -5.841669     -4.670281      0.762515
  H      -4.746658     -5.236760      2.924881
  H      -3.423861     -3.569693      4.136295
  H      -3.217006     -0.231438      8.509766
  H      -3.852427      0.053200      6.874336
  H      -4.562118      1.779962      9.334853
  H      -6.764371      1.730079      8.602526
  H      -5.576123     -0.860991      4.029248
  H     -10.155805     -0.769356      4.205131
  H     -11.837527      0.001053      5.886014
  H     -11.082314      1.024502      8.024996
  H      -8.693513      1.296081      8.509703
  N      -2.518469      3.942686      4.474548
  H      -3.400346      3.906679      3.957948
  H      -1.863236      4.579393      4.020849
92
Coordinates from ORCA-job orca E -6200.475266903914
  N      -2.471092      4.452824      7.267313
  Mo     -2.129527      2.852663      6.133689
  N      -2.453867      1.475502      7.574649
  C      -1.375367      1.340442      8.561463
  C      -0.650078      2.652363      8.795458
  N      -0.296123      3.292309      7.493194
  C      -0.157710      4.764830      7.620816
  C      -1.537864      5.354291      7.868645
  C       0.941433      2.719193      6.900006
  C       0.687879      2.645075      5.399967
  N      -0.592742      1.991011      5.293414
  H      -1.599732      6.368122      7.426827
  H      -1.737404      5.475639      8.953410
  H       0.261163      5.130733      6.674015
  H       0.553830      4.998745      8.428216
  H       1.481229      2.086376      4.880454
  H       0.659023      3.654169      4.953734
  H       1.079219      1.706462      7.298987
  H       1.810888      3.332618      7.179348
  H      -1.781140      1.004553      9.530982
  H      -0.664494      0.554150      8.231627
  H      -1.308734      3.343961      9.332638
  H       0.266728      2.510252      9.390007
  C      -3.878764      4.795575      7.379035
  C      -4.703193      4.014415      6.403383
  C      -5.930295      4.271974      5.929228
  C      -6.559711      3.512902      4.848141
  N      -5.747068      2.872520      4.003539
  C      -6.325322      2.238442      2.954611
  N      -7.603064      2.192253      2.649476
  C      -8.456920      2.818549      3.509956
  C      -9.845250      2.804302      3.234317
  C     -10.722473      3.442016      4.082069
  C     -10.253099      4.110545      5.235654
  C      -8.906193      4.145383      5.525442
  C      -7.978008      3.516350      4.661970
  C      -0.625807      0.656668      4.680448
  C      -1.548832     -0.343320      5.308129
  C      -2.521524     -1.048240      4.694699
  C      -3.043806     -0.889682      3.332769
  N      -2.893655      0.288924      2.723939
  C      -3.444054      0.437861      1.498952
  N      -4.172487     -0.433814      0.833870
  C      -4.328972     -1.657674      1.418597
  C      -5.085844     -2.643806      0.741543
  C      -5.222362     -3.901922      1.283221
  C      -4.601635     -4.224370      2.511104
  C      -3.872208     -3.279142      3.200163
  C      -3.736941     -1.966638      2.684585
  C      -3.564304      0.548358      7.789447
  C      -4.758342      1.220751      8.398241
  C      -6.038849      1.192833      7.972322
  C      -6.599962      0.523619      6.793826
  N      -5.772252      0.019247      5.874651
  C      -6.309403     -0.541723      4.771189
  N      -7.584365     -0.667428      4.473033
  C      -8.463986     -0.174923      5.393183
  C      -9.850800     -0.310754      5.143507
  C     -10.767902      0.137297      6.066225
  C     -10.337764      0.734904      7.271631
  C      -8.994225      0.885896      7.539164
  C      -8.022621      0.436127      6.611039
  H      -4.023265      5.878335      7.198927
  H      -4.226450      4.585889      8.414581
  H      -4.276002      3.040983      6.060143
  H      -6.470626      5.132761      6.331226
  H      -5.639636      1.718278      2.281414
  H     -10.184092      2.275177      2.344143
  H     -11.791789      3.430424      3.869978
  H     -10.966336      4.598393      5.899768
  H      -8.559930      4.653948      6.424405
  H       0.399377      0.245681      4.746177
  H      -0.889052      0.768139      3.617231
  H      -1.328589     -0.603140      6.345166
  H      -2.985384     -1.844771      5.277730
  H      -3.274374      1.408486      1.022653
  H      -5.536567     -2.374103     -0.213003
  H      -5.802121     -4.662103      0.759573
  H      -4.699693     -5.232655      2.913369
  H      -3.387022     -3.562230      4.132816
  H      -3.220276     -0.236384      8.489058
  H      -3.848220      0.061969      6.853064
  H      -4.555024      1.792027      9.310114
  H      -6.755287      1.750891      8.574176
  H      -5.581750     -0.917834      4.045761
  H     -10.155433     -0.780007      4.208517
  H     -11.835288      0.030697      5.871853
  H     -11.077607      1.079637      7.993858
  H      -8.687766      1.339879      8.479954
  N      -2.620465      3.818380      4.455299
  H      -3.530593      3.719984      3.994447
  H      -2.009613      4.446272      3.932698
92
Coordinates from ORCA-job orca E -6200.482840644808
  N      -2.462097      4.439743      7.246078
  Mo     -2.113753      2.837555      6.128605
  N      -2.445948      1.474352      7.566461
  C      -1.375632      1.341801      8.561897
  C      -0.648902      2.653803      8.803823
  N      -0.279855      3.289443      7.506735
  C      -0.148581      4.762109      7.623305
  C      -1.534621      5.349639      7.849609
  C       0.961081      2.718984      6.923556
  C       0.715815      2.644734      5.418131
  N      -0.566281      1.989787      5.303919
  H      -1.597331      6.360203      7.402483
  H      -1.743793      5.475511      8.931782
  H       0.276783      5.122511      6.677067
  H       0.554268      5.008025      8.434936
  H       1.510530      2.084885      4.902557
  H       0.692012      3.654093      4.973996
  H       1.099719      1.706216      7.322323
  H       1.827968      3.333977      7.207413
  H      -1.791718      1.006995      9.527502
  H      -0.662415      0.554357      8.240085
  H      -1.313503      3.346441      9.332708
  H       0.258766      2.509299      9.412028
  C      -3.870572      4.783213      7.354900
  C      -4.702858      3.996066      6.392584
  C      -5.937201      4.265691      5.937784
  C      -6.584071      3.519291      4.863602
  N      -5.783592      2.880016      4.002727
  C      -6.373069      2.258972      2.954059
  N      -7.652899      2.223011      2.658482
  C      -8.497216      2.848870      3.530671
  C      -9.886806      2.842530      3.266863
  C     -10.754676      3.476085      4.129277
  C     -10.272165      4.130655      5.284205
  C      -8.921933      4.156601      5.562828
  C      -8.004157      3.531183      4.686702
  C      -0.589141      0.657989      4.682574
  C      -1.515794     -0.339173      5.308840
  C      -2.492044     -1.044028      4.701181
  C      -3.025443     -0.883388      3.348003
  N      -2.895504      0.303680      2.747839
  C      -3.455168      0.453700      1.528350
  N      -4.174953     -0.422274      0.859905
  C      -4.314720     -1.652913      1.435455
  C      -5.064714     -2.642009      0.756456
  C      -5.184171     -3.905611      1.291484
  C      -4.552893     -4.228631      2.513194
  C      -3.829114     -3.279615      3.204112
  C      -3.710991     -1.963268      2.696046
  C      -3.561018      0.552398      7.763681
  C      -4.755723      1.230423      8.366575
  C      -6.034747      1.205161      7.936219
  C      -6.596864      0.526761      6.766751
  N      -5.771341      0.002542      5.855250
  C      -6.310995     -0.574178      4.761999
  N      -7.586040     -0.696478      4.463853
  C      -8.464698     -0.183405      5.374263
  C      -9.851177     -0.309669      5.120973
  C     -10.767856      0.162031      6.033465
  C     -10.335632      0.774435      7.230084
  C      -8.991046      0.917589      7.499344
  C      -8.020392      0.445494      6.582073
  H      -4.016701      5.864559      7.169068
  H      -4.214105      4.581288      8.393771
  H      -4.301449      3.013465      6.051286
  H      -6.466385      5.133603      6.339915
  H      -5.694007      1.742087      2.270029
  H     -10.235574      2.322963      2.374882
  H     -11.825934      3.471234      3.926687
  H     -10.977356      4.615241      5.959391
  H      -8.564951      4.654188      6.464051
  H       0.434733      0.246032      4.756817
  H      -0.840905      0.771466      3.616835
  H      -1.293235     -0.598827      6.345621
  H      -2.951598     -1.841594      5.286837
  H      -3.303467      1.431529      1.059769
  H      -5.524499     -2.370946     -0.193408
  H      -5.759204     -4.668765      0.766848
  H      -4.638145     -5.240366      2.909931
  H      -3.335213     -3.561228      4.132991
  H      -3.226653     -0.240133      8.459509
  H      -3.842757      0.072898      6.822141
  H      -4.552888      1.804343      9.276929
  H      -6.750866      1.770309      8.532166
  H      -5.586195     -0.969893      4.044630
  H     -10.156636     -0.790516      4.192127
  H     -11.835586      0.062362      5.837171
  H     -11.074363      1.137467      7.944566
  H      -8.683000      1.384455      8.433527
  N      -2.714436      3.689417      4.439506
  H      -3.646556      3.532919      4.034960
  H      -2.146803      4.299797      3.852050
92
Coordinates from ORCA-job orca E -6200.490205704564
  N      -2.450616      4.431344      7.218137
  Mo     -2.096050      2.822720      6.124133
  N      -2.436813      1.479842      7.557606
  C      -1.376596      1.350020      8.564920
  C      -0.647407      2.662284      8.814493
  N      -0.260527      3.290535      7.521698
  C      -0.136099      4.763968      7.622120
  C      -1.527456      5.350377      7.821537
  C       0.983501      2.719265      6.950065
  C       0.747787      2.641275      5.440281
  N      -0.536654      1.985426      5.315665
  H      -1.589858      6.355892      7.364793
  H      -1.749105      5.484350      8.900215
  H       0.297136      5.115896      6.675866
  H       0.555938      5.026429      8.438231
  H       1.544721      2.078798      4.931486
  H       0.730106      3.650637      4.996688
  H       1.122012      1.706913      7.350789
  H       1.849772      3.335284      7.235060
  H      -1.805593      1.017784      9.525721
  H      -0.660814      0.560874      8.253270
  H      -1.318615      3.356894      9.333201
  H       0.248804      2.514043      9.439166
  C      -3.860329      4.778875      7.326755
  C      -4.702470      3.981350      6.381537
  C      -5.942965      4.262464      5.947911
  C      -6.607721      3.520481      4.885542
  N      -5.819384      2.871682      4.017639
  C      -6.418641      2.253290      2.972591
  N      -7.702003      2.228021      2.683304
  C      -8.535577      2.864855      3.559740
  C      -9.926776      2.869121      3.305440
  C     -10.784685      3.510471      4.174478
  C     -10.288778      4.161680      5.325987
  C      -8.935565      4.176651      5.595604
  C      -8.028468      3.542464      4.714123
  C      -0.550477      0.655745      4.686895
  C      -1.480933     -0.339190      5.311746
  C      -2.462902     -1.041377      4.709769
  C      -3.008370     -0.872433      3.364381
  N      -2.894216      0.323796      2.777929
  C      -3.466965      0.483424      1.564791
  N      -4.184881     -0.391640      0.889875
  C      -4.310511     -1.630241      1.452372
  C      -5.059759     -2.617643      0.769884
  C      -5.166317     -3.888025      1.294650
  C      -4.522947     -4.218537      2.508774
  C      -3.798890     -3.270914      3.203109
  C      -3.692892     -1.949007      2.705826
  C      -3.558334      0.561452      7.738505
  C      -4.755938      1.242866      8.334018
  C      -6.032965      1.214402      7.897885
  C      -6.593051      0.519613      6.738581
  N      -5.767201     -0.028551      5.841033
  C      -6.306972     -0.627287      4.758765
  N      -7.582983     -0.749259      4.457688
  C      -8.462317     -0.210752      5.353240
  C      -9.848418     -0.329515      5.094233
  C     -10.766280      0.171250      5.991635
  C     -10.333886      0.805869      7.177368
  C      -8.988643      0.942765      7.450731
  C      -8.016834      0.442796      6.548930
  H      -4.007120      5.858083      7.131945
  H      -4.197472      4.589262      8.370362
  H      -4.322885      2.991516      6.048085
  H      -6.459545      5.140774      6.345320
  H      -5.745694      1.730613      2.285286
  H     -10.285938      2.351343      2.416043
  H     -11.857676      3.513826      3.978753
  H     -10.985203      4.652755      6.006383
  H      -8.567554      4.671458      6.494683
  H       0.471689      0.241352      4.768953
  H      -0.791259      0.771078      3.618989
  H      -1.254147     -0.599553      6.348143
  H      -2.920268     -1.839799      5.297089
  H      -3.331105      1.469600      1.108163
  H      -5.530069     -2.340417     -0.173542
  H      -5.741453     -4.650014      0.767497
  H      -4.599102     -5.234643      2.897283
  H      -3.295613     -3.555434      4.126797
  H      -3.233536     -0.236965      8.432459
  H      -3.835602      0.086033      6.792506
  H      -4.555498      1.822837      9.241546
  H      -6.751192      1.787369      8.484598
  H      -5.583922     -1.046089      4.052795
  H     -10.152965     -0.827483      4.173643
  H     -11.834227      0.077281      5.791306
  H     -11.072714      1.191676      7.880494
  H      -8.681133      1.428175      8.376133
  N      -2.795728      3.553536      4.426244
  H      -3.743578      3.347080      4.074428
  H      -2.265435      4.136447      3.779463
92
Coordinates from ORCA-job orca E -6200.499667330040
  N      -2.440600      4.424984      7.191624
  Mo     -2.079619      2.811950      6.116117
  N      -2.427647      1.488635      7.539493
  C      -1.377637      1.355809      8.563002
  C      -0.643509      2.667464      8.826569
  N      -0.237098      3.292503      7.539071
  C      -0.120375      4.767633      7.626610
  C      -1.518202      5.351165      7.797960
  C       1.010650      2.720331      6.976261
  C       0.785618      2.639871      5.461497
  N      -0.503960      1.982367      5.322135
  H      -1.580105      6.352540      7.333462
  H      -1.753757      5.490347      8.873257
  H       0.321099      5.114228      6.681522
  H       0.559093      5.046731      8.448346
  H       1.585522      2.074763      4.960583
  H       0.775140      3.650396      5.019995
  H       1.148723      1.707218      7.376870
  H       1.877754      3.336286      7.261865
  H      -1.821942      1.023286      9.516605
  H      -0.659761      0.565266      8.259687
  H      -1.321785      3.362447      9.336955
  H       0.239362      2.511439      9.469015
  C      -3.853612      4.783075      7.304913
  C      -4.710039      3.977976      6.374922
  C      -5.955641      4.274304      5.967442
  C      -6.641061      3.537561      4.916965
  N      -5.867056      2.879255      4.041277
  C      -6.477727      2.262400      2.999095
  N      -7.767638      2.248408      2.717646
  C      -8.586936      2.896897      3.600749
  C      -9.981348      2.913299      3.359966
  C     -10.826590      3.563348      4.238174
  C     -10.313398      4.211344      5.386123
  C      -8.956222      4.213969      5.643048
  C      -8.062252      3.569824      4.752999
  C      -0.504626      0.653665      4.684346
  C      -1.434193     -0.343766      5.309265
  C      -2.420782     -1.048461      4.716593
  C      -2.985052     -0.874202      3.379508
  N      -2.895971      0.330182      2.805858
  C      -3.490678      0.495932      1.600645
  N      -4.207092     -0.383911      0.922458
  C      -4.307466     -1.629963      1.474776
  C      -5.054431     -2.622550      0.795189
  C      -5.137539     -3.899409      1.313547
  C      -4.472911     -4.231037      2.518353
  C      -3.749964     -3.278455      3.209920
  C      -3.666498     -1.951048      2.719008
  C      -3.557777      0.570410      7.703326
  C      -4.760431      1.251859      8.291903
  C      -6.034830      1.218964      7.847632
  C      -6.590802      0.511100      6.694032
  N      -5.763355     -0.054871      5.809513
  C      -6.302556     -0.671530      4.733902
  N      -7.581270     -0.794416      4.428175
  C      -8.461677     -0.236162      5.311210
  C      -9.847922     -0.348308      5.046069
  C     -10.767288      0.176243      5.930896
  C     -10.334518      0.828715      7.109253
  C      -8.988339      0.960044      7.387325
  C      -8.014630      0.437378      6.498263
  H      -3.998401      5.861022      7.105366
  H      -4.182321      4.603736      8.353399
  H      -4.350228      2.983453      6.048018
  H      -6.457684      5.162832      6.363300
  H      -5.811820      1.733704      2.307574
  H     -10.354056      2.397566      2.473797
  H     -11.902127      3.575538      4.051530
  H     -10.998578      4.709836      6.074175
  H      -8.574053      4.705696      6.539307
  H       0.517123      0.239442      4.773626
  H      -0.735105      0.770136      3.614594
  H      -1.198264     -0.602909      6.345324
  H      -2.870211     -1.849821      5.307862
  H      -3.380225      1.490931      1.155400
  H      -5.542700     -2.344447     -0.139963
  H      -5.711682     -4.665039      0.788552
  H      -4.531953     -5.251138      2.901823
  H      -3.230274     -3.559190      4.127070
  H      -3.242303     -0.234410      8.394583
  H      -3.828888      0.099153      6.751822
  H      -4.564336      1.835772      9.198951
  H      -6.757255      1.796555      8.426211
  H      -5.581139     -1.108762      4.036782
  H     -10.151310     -0.859759      4.131388
  H     -11.835800      0.087221      5.725993
  H     -11.073531      1.233299      7.803233
  H      -8.681835      1.460267      8.306172
  N      -2.867595      3.429691      4.414918
  H      -3.826965      3.186070      4.107681
  H      -2.366944      3.981397      3.718982
92
Coordinates from ORCA-job orca E -6200.505392361203
  N      -2.424594      4.436382      7.165236
  Mo     -2.064192      2.812157      6.114307
  N      -2.425307      1.496678      7.529070
  C      -1.387022      1.362965      8.560440
  C      -0.653177      2.673157      8.835172
  N      -0.227136      3.294613      7.556098
  C      -0.109664      4.768913      7.631290
  C      -1.505606      5.361400      7.775954
  C       1.019513      2.715609      7.004801
  C       0.806027      2.640499      5.488781
  N      -0.484308      1.991250      5.331153
  H      -1.556395      6.359357      7.304026
  H      -1.757270      5.508366      8.846222
  H       0.344910      5.104059      6.688506
  H       0.559194      5.057581      8.458326
  H       1.605659      2.071444      4.992389
  H       0.806670      3.652374      5.051972
  H       1.149729      1.701335      7.404504
  H       1.888451      3.325886      7.296365
  H      -1.843049      1.028228      9.507440
  H      -0.667644      0.573008      8.261698
  H      -1.334567      3.370583      9.337703
  H       0.218303      2.509835      9.490879
  C      -3.835586      4.799282      7.277541
  C      -4.707865      3.990060      6.368146
  C      -5.955705      4.297290      5.972233
  C      -6.658164      3.546141      4.942458
  N      -5.900533      2.847481      4.083079
  C      -6.525895      2.211120      3.063349
  N      -7.815539      2.210723      2.788418
  C      -8.618852      2.901062      3.653744
  C     -10.013600      2.933461      3.419465
  C     -10.843039      3.623358      4.280729
  C     -10.314104      4.296627      5.405628
  C      -8.956646      4.283610      5.656248
  C      -8.078553      3.598034      4.782541
  C      -0.486009      0.670550      4.678401
  C      -1.413952     -0.331829      5.296651
  C      -2.402088     -1.035735      4.706833
  C      -2.978669     -0.858757      3.375090
  N      -2.914040      0.351443      2.811884
  C      -3.528446      0.518577      1.618175
  N      -4.237503     -0.365118      0.940400
  C      -4.311761     -1.617267      1.481570
  C      -5.052990     -2.614346      0.803470
  C      -5.114826     -3.894668      1.313668
  C      -4.435067     -4.225875      2.508973
  C      -3.716790     -3.269570      3.198580
  C      -3.653376     -1.939122      2.714703
  C      -3.555682      0.578217      7.675024
  C      -4.763177      1.248002      8.264890
  C      -6.036945      1.203232      7.820785
  C      -6.588791      0.478156      6.675785
  N      -5.758276     -0.111729      5.809957
  C      -6.293108     -0.748733      4.745523
  N      -7.568603     -0.868723      4.432000
  C      -8.451870     -0.284003      5.294089
  C      -9.835670     -0.387097      5.015839
  C     -10.758441      0.166823      5.877321
  C     -10.332043      0.840251      7.044900
  C      -8.988551      0.963006      7.335463
  C      -8.011003      0.411006      6.469664
  H      -3.975120      5.875479      7.067466
  H      -4.156702      4.634011      8.330171
  H      -4.370925      2.986983      6.050270
  H      -6.441092      5.201846      6.350744
  H      -5.871927      1.650570      2.386065
  H     -10.399424      2.397494      2.551718
  H     -11.918605      3.647760      4.098447
  H     -10.987173      4.827044      6.080811
  H      -8.561653      4.794884      6.535168
  H       0.534800      0.255499      4.770324
  H      -0.710503      0.795541      3.608457
  H      -1.172359     -0.597636      6.329364
  H      -2.845569     -1.839314      5.298788
  H      -3.445904      1.520687      1.184206
  H      -5.555535     -2.336273     -0.123494
  H      -5.685398     -4.663212      0.790098
  H      -4.479200     -5.248353      2.886756
  H      -3.186603     -3.547728      4.109761
  H      -3.241250     -0.234165      8.357567
  H      -3.818953      0.116861      6.716932
  H      -4.571294      1.837058      9.168847
  H      -6.761940      1.782952      8.392845
  H      -5.570426     -1.208460      4.065596
  H     -10.134238     -0.914550      4.109308
  H     -11.824959      0.085479      5.661959
  H     -11.073917      1.268418      7.720539
  H      -8.687498      1.481436      8.245306
  N      -2.917684      3.319901      4.425429
  H      -3.883302      3.051487      4.160106
  H      -2.438027      3.831249      3.685156
92
Coordinates from ORCA-job orca E -6200.510994297641
  N      -2.411407      4.456637      7.156961
  Mo     -2.051649      2.829227      6.114296
  N      -2.426055      1.513620      7.497937
  C      -1.402654      1.363191      8.541840
  C      -0.667905      2.668465      8.842938
  N      -0.218932      3.298239      7.577939
  C      -0.098388      4.771543      7.653560
  C      -1.489710      5.371203      7.778467
  C       1.025837      2.714061      7.028416
  C       0.825053      2.656175      5.513665
  N      -0.465643      2.013702      5.326494
  H      -1.528859      6.370163      7.307088
  H      -1.758031      5.515641      8.845491
  H       0.368157      5.104421      6.715599
  H       0.559088      5.065842      8.488248
  H       1.626786      2.087222      5.020147
  H       0.836329      3.674482      5.090287
  H       1.148246      1.694074      7.417016
  H       1.900460      3.314867      7.326031
  H      -1.873810      1.016250      9.476453
  H      -0.681185      0.577066      8.239851
  H      -1.353472      3.363399      9.344284
  H       0.188609      2.486261      9.513835
  C      -3.817286      4.835012      7.285378
  C      -4.711928      4.031568      6.393508
  C      -5.958928      4.356609      6.018270
  C      -6.681360      3.586742      5.008439
  N      -5.943402      2.842324      4.173732
  C      -6.584357      2.182381      3.175061
  N      -7.878652      2.201230      2.902935
  C      -8.658984      2.940842      3.746561
  C     -10.056457      2.999042      3.518895
  C     -10.864851      3.737485      4.358571
  C     -10.314784      4.438584      5.459520
  C      -8.957191      4.401547      5.704309
  C      -8.099040      3.663976      4.849681
  C      -0.467150      0.705493      4.648745
  C      -1.383269     -0.314121      5.259047
  C      -2.367247     -1.031278      4.678185
  C      -2.969881     -0.868877      3.348791
  N      -2.955328      0.338365      2.783519
  C      -3.607974      0.484447      1.602859
  N      -4.302422     -0.425751      0.938975
  C      -4.318033     -1.677264      1.485351
  C      -5.040053     -2.705197      0.829271
  C      -5.049373     -3.982894      1.349549
  C      -4.335519     -4.284275      2.535647
  C      -3.634931     -3.299785      3.203167
  C      -3.623486     -1.970764      2.706214
  C      -3.562236      0.588162      7.618497
  C      -4.779258      1.236142      8.211642
  C      -6.051533      1.176969      7.763456
  C      -6.597020      0.439699      6.617476
  N      -5.762369     -0.165501      5.768957
  C      -6.293316     -0.818195      4.708691
  N      -7.569729     -0.938454      4.386776
  C      -8.454615     -0.334295      5.232710
  C      -9.838087     -0.430597      4.944175
  C     -10.762845      0.146369      5.787543
  C     -10.340292      0.837357      6.948679
  C      -8.998724      0.953283      7.250034
  C      -8.017351      0.377622      6.401321
  H      -3.946991      5.912268      7.077696
  H      -4.123896      4.675420      8.342813
  H      -4.387357      3.032298      6.079623
  H      -6.422858      5.277386      6.384351
  H      -5.943204      1.585158      2.516742
  H     -10.460310      2.442222      2.671818
  H     -11.940917      3.779723      4.178250
  H     -10.971320      5.008971      6.119285
  H      -8.545111      4.933872      6.563279
  H       0.554976      0.292782      4.740500
  H      -0.687841      0.841348      3.579683
  H      -1.126137     -0.583525      6.288416
  H      -2.790553     -1.840895      5.277250
  H      -3.580755      1.490119      1.170991
  H      -5.572260     -2.451008     -0.088791
  H      -5.606272     -4.773199      0.842463
  H      -4.340277     -5.304811      2.922709
  H      -3.079392     -3.548782      4.108322
  H      -3.249694     -0.237085      8.286311
  H      -3.812133      0.142525      6.648989
  H      -4.596221      1.824420      9.118639
  H      -6.782718      1.751812      8.332920
  H      -5.570190     -1.294553      4.040290
  H     -10.133152     -0.970644      4.043153
  H     -11.828650      0.071029      5.563065
  H     -11.084036      1.284791      7.610728
  H      -8.702969      1.486331      8.153486
  N      -2.947083      3.260758      4.427955
  H      -3.912519      2.997947      4.158089
  H      -2.457377      3.737132      3.670252
92
Coordinates from ORCA-job orca E -6200.516183081837
  N      -2.398018      4.475469      7.141428
  Mo     -2.038284      2.839465      6.113201
  N      -2.427161      1.521770      7.479448
  C      -1.416131      1.364203      8.531873
  C      -0.681046      2.665294      8.846259
  N      -0.213710      3.298608      7.591623
  C      -0.087362      4.769744      7.667530
  C      -1.474797      5.380019      7.774861
  C       1.028463      2.709099      7.044559
  C       0.838161      2.667055      5.528594
  N      -0.452649      2.033957      5.319009
  H      -1.498947      6.380532      7.305644
  H      -1.757909      5.524585      8.838142
  H       0.392604      5.097621      6.734830
  H       0.561811      5.065059      8.508611
  H       1.640722      2.098375      5.035503
  H       0.860048      3.689294      5.115667
  H       1.141789      1.685360      7.425489
  H       1.906745      3.300218      7.350968
  H      -1.896873      1.011177      9.459274
  H      -0.692545      0.579993      8.230068
  H      -1.368046      3.361632      9.343562
  H       0.164799      2.471917      9.528070
  C      -3.799231      4.861431      7.282427
  C      -4.714701      4.061526      6.412766
  C      -5.963386      4.398322      6.050504
  C      -6.708345      3.611875      5.067151
  N      -5.993936      2.826274      4.250241
  C      -6.656929      2.148434      3.280447
  N      -7.951762      2.183559      3.021221
  C      -8.709038      2.965578      3.846421
  C     -10.107357      3.044100      3.629702
  C     -10.892834      3.825093      4.450438
  C     -10.319662      4.551040      5.522458
  C      -8.961606      4.495056      5.756442
  C      -8.125930      3.712911      4.919578
  C      -0.458040      0.738547      4.618693
  C      -1.354697     -0.296975      5.229826
  C      -2.336339     -1.024719      4.661598
  C      -2.964710     -0.872948      3.342725
  N      -2.994430      0.335678      2.782376
  C      -3.681772      0.467859      1.621091
  N      -4.361251     -0.458991      0.968327
  C      -4.326132     -1.713589      1.506473
  C      -5.030839     -2.759681      0.860766
  C      -4.995750     -4.037477      1.376980
  C      -4.253956     -4.321922      2.549243
  C      -3.568595     -3.320476      3.205649
  C      -3.600979     -1.991456      2.711013
  C      -3.564175      0.594793      7.572563
  C      -4.788772      1.232331      8.158435
  C      -6.058080      1.160929      7.703885
  C      -6.594270      0.402611      6.566972
  N      -5.753596     -0.240928      5.752826
  C      -6.275367     -0.919405      4.705833
  N      -7.546311     -1.032139      4.366357
  C      -8.436814     -0.386981      5.174896
  C      -9.815739     -0.470716      4.862219
  C     -10.746393      0.150168      5.665373
  C     -10.335399      0.874044      6.809494
  C      -8.999041      0.977264      7.134605
  C      -8.011195      0.356160      6.326914
  H      -3.922732      5.939254      7.071245
  H      -4.092497      4.711097      8.345464
  H      -4.404006      3.057821      6.103207
  H      -6.408895      5.332749      6.401727
  H      -6.033051      1.521247      2.633549
  H     -10.529920      2.468015      2.805460
  H     -11.969068      3.882501      4.277801
  H     -10.958768      5.155962      6.167682
  H      -8.531382      5.047517      6.592810
  H       0.567218      0.330563      4.696799
  H      -0.688434      0.885332      3.552623
  H      -1.078726     -0.570806      6.253122
  H      -2.739322     -1.839800      5.266538
  H      -3.702332      1.477172      1.197978
  H      -5.587703     -2.518252     -0.045589
  H      -5.540271     -4.841118      0.878320
  H      -4.225494     -5.342500      2.934117
  H      -2.992432     -3.553593      4.101520
  H      -3.256322     -0.240712      8.229897
  H      -3.799792      0.161512      6.593989
  H      -4.615117      1.829043      9.061299
  H      -6.794105      1.740830      8.260841
  H      -5.548380     -1.428603      4.067204
  H     -10.101809     -1.035892      3.974318
  H     -11.808254      0.085740      5.421612
  H     -11.084015      1.357238      7.439387
  H      -8.713163      1.537374      8.024239
  N      -2.979717      3.187554      4.446471
  H      -3.948052      2.921365      4.193999
  H      -2.493378      3.627327      3.663489
92
Coordinates from ORCA-job orca E -6200.520796420166
  N      -2.385134      4.498094      7.116741
  Mo     -2.022136      2.843878      6.112022
  N      -2.428085      1.529679      7.473693
  C      -1.429086      1.372294      8.537158
  C      -0.694941      2.672334      8.852941
  N      -0.209815      3.300706      7.602317
  C      -0.074901      4.770739      7.672009
  C      -1.458098      5.393827      7.759424
  C       1.031006      2.699424      7.062463
  C       0.855024      2.663718      5.545083
  N      -0.437637      2.041313      5.314253
  H      -1.464294      6.394002      7.288466
  H      -1.755848      5.544555      8.817887
  H       0.420038      5.088634      6.743910
  H       0.566708      5.068572      8.518273
  H       1.659277      2.091817      5.057759
  H       0.890115      3.686981      5.135708
  H       1.131618      1.674533      7.443554
  H       1.912993      3.280964      7.376888
  H      -1.918158      1.020692      9.460797
  H      -0.703140      0.587525      8.241848
  H      -1.382942      3.374765      9.340104
  H       0.141426      2.475231      9.545901
  C      -3.781754      4.895136      7.268763
  C      -4.717133      4.094233      6.424965
  C      -5.964786      4.437520      6.065037
  C      -6.726549      3.624158      5.114313
  N      -6.030171      2.796223      4.324842
  C      -6.710856      2.091108      3.388881
  N      -8.006495      2.132403      3.141903
  C      -8.746333      2.956873      3.940495
  C     -10.145721      3.043465      3.733472
  C     -10.913846      3.866235      4.528026
  C     -10.322542      4.627949      5.564437
  C      -8.963390      4.565487      5.788202
  C      -8.144786      3.739880      4.976722
  C      -0.453566      0.756335      4.596178
  C      -1.336951     -0.289142      5.208594
  C      -2.322520     -1.016713      4.649449
  C      -2.973505     -0.862033      3.342040
  N      -3.034940      0.351956      2.795782
  C      -3.749394      0.483677      1.651515
  N      -4.417837     -0.449417      0.999546
  C      -4.345418     -1.710294      1.519526
  C      -5.037175     -2.763303      0.871294
  C      -4.970607     -4.045007      1.372803
  C      -4.209589     -4.327250      2.532819
  C      -3.535207     -3.319735      3.190450
  C      -3.598385     -1.987313      2.709400
  C      -3.565681      0.601598      7.546810
  C      -4.796354      1.234994      8.121992
  C      -6.063506      1.148581      7.664189
  C      -6.589271      0.361556      6.543130
  N      -5.741739     -0.327943      5.774652
  C      -6.251672     -1.037797      4.744147
  N      -7.515903     -1.143414      4.381948
  C      -8.412702     -0.449795      5.141863
  C      -9.785015     -0.518914      4.797444
  C     -10.721355      0.157019      5.546661
  C     -10.323780      0.923800      6.666736
  C      -8.994889      1.011683      7.023431
  C      -8.000970      0.333300      6.271269
  H      -3.897522      5.972376      7.047148
  H      -4.062840      4.761698      8.337876
  H      -4.414755      3.084763      6.127125
  H      -6.395814      5.386209      6.393084
  H      -6.101022      1.432415      2.760474
  H     -10.582605      2.439677      2.937385
  H     -11.990661      3.929792      4.362811
  H     -10.948798      5.266330      6.189212
  H      -8.519364      5.146738      6.596888
  H       0.572813      0.347437      4.656205
  H      -0.697260      0.915169      3.534582
  H      -1.045166     -0.571021      6.225443
  H      -2.712837     -1.837156      5.255209
  H      -3.804255      1.498294      1.244254
  H      -5.611398     -2.523427     -0.024310
  H      -5.505978     -4.853665      0.872896
  H      -4.158117     -5.350686      2.906845
  H      -2.945499     -3.548772      4.078173
  H      -3.261728     -0.239501      8.199049
  H      -3.787745      0.172260      6.563364
  H      -4.630334      1.848406      9.014717
  H      -6.803649      1.738793      8.203949
  H      -5.518101     -1.582430      4.143320
  H     -10.060545     -1.115901      3.927569
  H     -11.777533      0.105623      5.277535
  H     -11.076968      1.452407      7.252561
  H      -8.720284      1.607141      7.893082
  N      -2.996507      3.108553      4.459420
  H      -3.965991      2.843065      4.216036
  H      -2.506850      3.507602      3.655429
92
Coordinates from ORCA-job orca E -6200.524903664859
  N      -2.386446      4.514308      7.089455
  Mo     -2.012780      2.840436      6.108736
  N      -2.431844      1.526502      7.473095
  C      -1.441454      1.372000      8.545256
  C      -0.713725      2.674399      8.860081
  N      -0.216259      3.298266      7.611748
  C      -0.076284      4.767955      7.677079
  C      -1.457235      5.400580      7.745562
  C       1.025228      2.685736      7.081406
  C       0.867584      2.652789      5.562685
  N      -0.427184      2.042038      5.308112
  H      -1.446069      6.401280      7.275473
  H      -1.770200      5.555246      8.798905
  H       0.433427      5.078368      6.754723
  H       0.557155      5.067182      8.529121
  H       1.674839      2.076922      5.084470
  H       0.916943      3.675841      5.154496
  H       1.112052      1.660731      7.465036
  H       1.909290      3.258464      7.406036
  H      -1.935192      1.021476      9.466844
  H      -0.711841      0.588365      8.255675
  H      -1.404494      3.380866      9.337196
  H       0.116422      2.479735      9.561501
  C      -3.780822      4.919263      7.250276
  C      -4.729956      4.115855      6.426490
  C      -5.973727      4.460911      6.054039
  C      -6.734522      3.633291      5.111956
  N      -6.039248      2.795022      4.333148
  C      -6.720122      2.090429      3.397791
  N      -8.012892      2.136117      3.145996
  C      -8.752813      2.966783      3.936398
  C     -10.150542      3.057328      3.721788
  C     -10.919202      3.886718      4.508065
  C     -10.330196      4.651792      5.542730
  C      -8.972082      4.587947      5.771898
  C      -8.152735      3.754854      4.969514
  C      -0.453083      0.765937      4.574524
  C      -1.327505     -0.285013      5.189310
  C      -2.314654     -1.010182      4.631692
  C      -2.967458     -0.854829      3.325358
  N      -3.036563      0.360141      2.781232
  C      -3.751808      0.488566      1.637532
  N      -4.406802     -0.448955      0.981341
  C      -4.321378     -1.711542      1.495665
  C      -4.996816     -2.769522      0.839049
  C      -4.919300     -4.051906      1.336240
  C      -4.162733     -4.329869      2.499750
  C      -3.503151     -3.317494      3.164334
  C      -3.578052     -1.985154      2.687391
  C      -3.564002      0.592638      7.536485
  C      -4.790792      1.216935      8.128647
  C      -6.065626      1.124558      7.693875
  C      -6.601650      0.343962      6.576192
  N      -5.760021     -0.349240      5.804292
  C      -6.276688     -1.051301      4.773088
  N      -7.542565     -1.149224      4.416883
  C      -8.433221     -0.452184      5.181264
  C      -9.807379     -0.513148      4.841942
  C     -10.736521      0.169745      5.593118
  C     -10.330549      0.936501      6.709710
  C      -9.000503      1.015215      7.062433
  C      -8.014218      0.327015      6.309348
  H      -3.890861      5.995458      7.018100
  H      -4.052939      4.801690      8.323825
  H      -4.429577      3.101995      6.141539
  H      -6.398491      5.418359      6.362216
  H      -6.112801      1.425938      2.775305
  H     -10.585399      2.451135      2.926985
  H     -11.994730      3.953547      4.338036
  H     -10.957586      5.295765      6.159934
  H      -8.530288      5.173824      6.577848
  H       0.574456      0.357273      4.616034
  H      -0.711414      0.934431      3.517873
  H      -1.029186     -0.571567      6.202840
  H      -2.704650     -1.831152      5.236748
  H      -3.816320      1.504254      1.233776
  H      -5.568444     -2.532878     -0.058668
  H      -5.442447     -4.864547      0.830658
  H      -4.103187     -5.353723      2.870442
  H      -2.917298     -3.541928      4.055407
  H      -3.252852     -0.257630      8.173570
  H      -3.786113      0.172401      6.549324
  H      -4.615436      1.831472      9.018356
  H      -6.799452      1.706683      8.250308
  H      -5.543615     -1.591632      4.166250
  H     -10.089576     -1.108401      3.973485
  H     -11.793563      0.126117      5.327414
  H     -11.077990      1.472894      7.294911
  H      -8.719476      1.612214      7.928497
  N      -3.009924      3.029660      4.467944
  H      -3.980329      2.765472      4.231206
  H      -2.516164      3.388994      3.646615
92
Coordinates from ORCA-job orca E -6200.528698079214
  N      -2.391138      4.527219      7.070481
  Mo     -2.000318      2.841737      6.106091
  N      -2.425601      1.524586      7.465206
  C      -1.446137      1.367476      8.547501
  C      -0.723920      2.671832      8.867752
  N      -0.217592      3.296064      7.623144
  C      -0.077603      4.765074      7.692143
  C      -1.459100      5.401603      7.745472
  C       1.025712      2.680075      7.098430
  C       0.886715      2.657586      5.576530
  N      -0.409886      2.056548      5.295541
  H      -1.435203      6.405235      7.282875
  H      -1.785402      5.551549      8.794993
  H       0.443469      5.077296      6.776687
  H       0.546471      5.063634      8.551397
  H       1.698556      2.082110      5.105966
  H       0.947382      3.682905      5.175914
  H       1.101980      1.652524      7.477434
  H       1.910789      3.244365      7.435137
  H      -1.946350      1.014145      9.464362
  H      -0.712554      0.586308      8.262228
  H      -1.420508      3.377957      9.337247
  H       0.099825      2.479677      9.577549
  C      -3.783866      4.940738      7.245753
  C      -4.743867      4.132646      6.438512
  C      -5.985985      4.477845      6.060113
  C      -6.755263      3.642341      5.132932
  N      -6.071728      2.782461      4.365518
  C      -6.761266      2.075671      3.438186
  N      -8.053156      2.134385      3.184571
  C      -8.783625      2.982406      3.965791
  C     -10.179612      3.085705      3.750114
  C     -10.938973      3.932757      4.528422
  C     -10.340280      4.702081      5.553790
  C      -8.981925      4.627017      5.782215
  C      -8.172539      3.776176      4.989474
  C      -0.435884      0.791523      4.540229
  C      -1.291829     -0.271354      5.162480
  C      -2.283122     -1.002795      4.617454
  C      -2.955260     -0.855112      3.321248
  N      -3.046304      0.359651      2.777196
  C      -3.785077      0.481759      1.647878
  N      -4.441865     -0.461735      1.002494
  C      -4.333268     -1.724247      1.512772
  C      -5.007332     -2.787527      0.864360
  C      -4.908601     -4.070403      1.358351
  C      -4.131414     -4.341808      2.509394
  C      -3.471439     -3.323558      3.165774
  C      -3.566782     -1.991161      2.692513
  C      -3.552970      0.586347      7.505044
  C      -4.781045      1.199290      8.105402
  C      -6.058693      1.099578      7.680315
  C      -6.593926      0.320396      6.564361
  N      -5.753650     -0.390118      5.804640
  C      -6.270181     -1.093918      4.774112
  N      -7.535276     -1.184123      4.411818
  C      -8.424378     -0.470787      5.163498
  C      -9.796765     -0.522016      4.816024
  C     -10.723582      0.181664      5.552055
  C     -10.316135      0.959954      6.660180
  C      -8.987370      1.027891      7.021252
  C      -8.004350      0.317121      6.285508
  H      -3.892115      6.015834      7.008393
  H      -4.043734      4.834491      8.323506
  H      -4.441849      3.119537      6.163368
  H      -6.406615      5.442228      6.353302
  H      -6.162581      1.396348      2.822934
  H     -10.621207      2.475592      2.961976
  H     -12.013937      4.010173      4.358897
  H     -10.960142      5.359950      6.164119
  H      -8.532695      5.218090      6.580619
  H       0.595022      0.390005      4.554423
  H      -0.715655      0.971965      3.491689
  H      -0.976894     -0.557838      6.171018
  H      -2.662319     -1.824395      5.229102
  H      -3.867974      1.497899      1.247851
  H      -5.595363     -2.555267     -0.023939
  H      -5.430695     -4.888009      0.859568
  H      -4.055566     -5.365743      2.877156
  H      -2.868728     -3.544240      4.046574
  H      -3.244343     -0.278435      8.124046
  H      -3.769675      0.184218      6.509863
  H      -4.603178      1.814978      8.993903
  H      -6.792596      1.674694      8.244437
  H      -5.537178     -1.646002      4.176797
  H     -10.079627     -1.125269      3.953197
  H     -11.779327      0.146734      5.279717
  H     -11.061040      1.514640      7.231559
  H      -8.704809      1.635526      7.879608
  N      -3.030146      2.962658      4.481290
  H      -4.006579      2.698734      4.262042
  H      -2.545074      3.290218      3.641414
92
Coordinates from ORCA-job orca E -6200.532163544937
  N      -2.397297      4.542510      7.057489
  Mo     -1.991542      2.845135      6.108026
  N      -2.421011      1.523236      7.466456
  C      -1.450614      1.362179      8.556262
  C      -0.732957      2.667491      8.878899
  N      -0.222393      3.290867      7.634483
  C      -0.080963      4.759788      7.708422
  C      -1.461198      5.401108      7.751917
  C       1.021843      2.670448      7.114583
  C       0.900744      2.660421      5.591399
  N      -0.398389      2.073372      5.284819
  H      -1.424303      6.408828      7.299224
  H      -1.797583      5.544357      8.798968
  H       0.449635      5.074776      6.799208
  H       0.536083      5.054371      8.574211
  H       1.715194      2.083414      5.127400
  H       0.974547      3.688284      5.199329
  H       1.085847      1.639944      7.487993
  H       1.908125      3.225056      7.464605
  H      -1.956410      1.007390      9.469580
  H      -0.715191      0.581511      8.275066
  H      -1.434327      3.373617      9.341591
  H       0.087695      2.480966      9.593821
  C      -3.788536      4.964855      7.245792
  C      -4.758633      4.153937      6.452375
  C      -5.995641      4.497422      6.059219
  C      -6.760335      3.652509      5.137980
  N      -6.073266      2.780479      4.387138
  C      -6.756006      2.069107      3.457455
  N      -8.045173      2.132477      3.187981
  C      -8.780652      2.989040      3.955962
  C     -10.173996      3.093815      3.726834
  C     -10.938554      3.947481      4.494107
  C     -10.346611      4.721403      5.519904
  C      -8.989877      4.645834      5.760062
  C      -8.175650      3.788269      4.979964
  C      -0.426235      0.821244      4.503749
  C      -1.266035     -0.256408      5.124288
  C      -2.260407     -0.990673      4.585649
  C      -2.945564     -0.849498      3.295345
  N      -3.044527      0.361329      2.743355
  C      -3.795823      0.475791      1.620931
  N      -4.457313     -0.472804      0.987065
  C      -4.339640     -1.732086      1.503139
  C      -5.015950     -2.800323      0.865634
  C      -4.909475     -4.080777      1.365783
  C      -4.122071     -4.343421      2.511809
  C      -3.458926     -3.319880      3.157606
  C      -3.561112     -1.989906      2.678177
  C      -3.544245      0.581339      7.487948
  C      -4.769794      1.177805      8.109258
  C      -6.053086      1.071494      7.702326
  C      -6.593897      0.301886      6.583216
  N      -5.758359     -0.412076      5.820343
  C      -6.280264     -1.106986      4.785192
  N      -7.546920     -1.190165      4.424953
  C      -8.431202     -0.475252      5.181019
  C      -9.804573     -0.518856      4.836609
  C     -10.726035      0.190317      5.575073
  C     -10.311588      0.967547      6.681615
  C      -8.981188      1.027808      7.039689
  C      -8.004355      0.309108      6.303435
  H      -3.893696      6.038811      7.002910
  H      -4.036715      4.869014      8.326921
  H      -4.456647      3.139646      6.186285
  H      -6.416742      5.467434      6.334332
  H      -6.154256      1.380795      2.854212
  H     -10.609842      2.479563      2.938421
  H     -12.012088      4.026631      4.315368
  H     -10.970443      5.384280      6.121143
  H      -8.546285      5.241353      6.558612
  H       0.607796      0.428645      4.488970
  H      -0.727985      1.019862      3.465284
  H      -0.939399     -0.547066      6.127847
  H      -2.632315     -1.813050      5.201191
  H      -3.883518      1.489782      1.216253
  H      -5.611994     -2.574160     -0.019092
  H      -5.433252     -4.902827      0.875687
  H      -4.040494     -5.365312      2.884616
  H      -2.848430     -3.536393      4.034340
  H      -3.233903     -0.299863      8.083055
  H      -3.763759      0.202300      6.484515
  H      -4.583556      1.788307      8.999908
  H      -6.783623      1.633228      8.284189
  H      -5.550261     -1.659028      4.183883
  H     -10.093034     -1.120030      3.973915
  H     -11.782767      0.161375      5.305037
  H     -11.052030      1.528355      7.253340
  H      -8.692137      1.636191      7.895581
  N      -3.051366      2.909379      4.502324
  H      -4.034511      2.648069      4.307644
  H      -2.582384      3.206015      3.641837
92
Coordinates from ORCA-job orca E -6200.535294258161
  N      -2.405676      4.552149      7.043253
  Mo     -1.983150      2.846717      6.106719
  N      -2.412853      1.519103      7.460191
  C      -1.454605      1.351386      8.557650
  C      -0.742312      2.658348      8.885622
  N      -0.229702      3.283154      7.642187
  C      -0.089388      4.751937      7.722914
  C      -1.468517      5.395011      7.758498
  C       1.016443      2.662793      7.126852
  C       0.913331      2.667652      5.602481
  N      -0.386450      2.093239      5.269824
  H      -1.421823      6.407872      7.318358
  H      -1.814718      5.527880      8.803591
  H       0.448990      5.072486      6.820187
  H       0.519684      5.042786      8.595639
  H       1.731038      2.090306      5.145024
  H       0.998615      3.698705      5.221201
  H       1.070870      1.628496      7.491282
  H       1.902663      3.208702      7.490900
  H      -1.967953      0.993296      9.465554
  H      -0.716910      0.571429      8.280833
  H      -1.450454      3.361687      9.342439
  H       0.075265      2.478229      9.605488
  C      -3.794504      4.981404      7.244733
  C      -4.773401      4.168854      6.464710
  C      -6.006948      4.512622      6.061361
  C      -6.776045      3.663163      5.148995
  N      -6.095161      2.778813      4.406114
  C      -6.780017      2.069970      3.476468
  N      -8.067205      2.144347      3.199989
  C      -8.798441      3.009500      3.962962
  C     -10.189827      3.123558      3.729632
  C     -10.950317      3.984752      4.493062
  C     -10.355154      4.757198      5.517676
  C      -8.999338      4.673533      5.760693
  C      -8.189450      3.807567      4.985539
  C      -0.409726      0.854952      4.464317
  C      -1.221516     -0.241474      5.088561
  C      -2.217220     -0.983858      4.564406
  C      -2.925159     -0.850210      3.286664
  N      -3.039327      0.357281      2.729352
  C      -3.811136      0.462803      1.620387
  N      -4.479714     -0.491847      1.002833
  C      -4.346156     -1.748146      1.522285
  C      -5.027008     -2.822486      0.900561
  C      -4.904904     -4.100485      1.403958
  C      -4.096697     -4.353430      2.537149
  C      -3.428212     -3.323606      3.167513
  C      -3.545675     -1.995990      2.685031
  C      -3.532187      0.574296      7.454298
  C      -4.757873      1.150993      8.094596
  C      -6.044826      1.038849      7.700303
  C      -6.590013      0.279495      6.576761
  N      -5.759810     -0.442045      5.814718
  C      -6.286809     -1.128903      4.776349
  N      -7.553686     -1.202636      4.415245
  C      -8.432893     -0.481240      5.171035
  C      -9.806109     -0.514059      4.826377
  C     -10.721718      0.206101      5.561891
  C     -10.300774      0.984375      6.664858
  C      -8.969911      1.033123      7.023754
  C      -7.999575      0.301300      6.292224
  H      -3.898009      6.054505      6.997852
  H      -4.029931      4.893291      8.329064
  H      -4.471489      3.153665      6.206027
  H      -6.426606      5.487095      6.323098
  H      -6.182191      1.373906      2.878401
  H     -10.627960      2.510117      2.941880
  H     -12.022864      4.071022      4.311856
  H     -10.975490      5.426087      6.115903
  H      -8.553314      5.268473      6.558286
  H       0.629260      0.479738      4.416594
  H      -0.740256      1.068745      3.437927
  H      -0.874939     -0.532873      6.085358
  H      -2.571481     -1.809769      5.185592
  H      -3.909576      1.474310      1.212436
  H      -5.638983     -2.602957      0.025148
  H      -5.432074     -4.927531      0.926075
  H      -4.002732     -5.373174      2.912994
  H      -2.801663     -3.535335      4.034019
  H      -3.223085     -0.326410      8.020660
  H      -3.752230      0.225533      6.439574
  H      -4.566378      1.752995      8.989911
  H      -6.773484      1.586486      8.297576
  H      -5.561740     -1.684600      4.173172
  H     -10.099672     -1.114867      3.965172
  H     -11.778442      0.185649      5.291076
  H     -11.036066      1.555711      7.232840
  H      -8.674606      1.643978      7.875741
  N      -3.070834      2.862064      4.519619
  H      -4.061662      2.603588      4.354338
  H      -2.625064      3.132325      3.638018
92
Coordinates from ORCA-job orca E -6200.538115813179
  N      -2.408997      4.563467      7.028873
  Mo     -1.973192      2.848682      6.107155
  N      -2.405729      1.517758      7.456888
  C      -1.461276      1.342453      8.563054
  C      -0.752714      2.649912      8.894634
  N      -0.237316      3.274079      7.650744
  C      -0.094680      4.743053      7.736930
  C      -1.471428      5.389692      7.765166
  C       1.010756      2.651430      7.141594
  C       0.926588      2.671371      5.616903
  N      -0.374168      2.112617      5.258370
  H      -1.413977      6.407833      7.338206
  H      -1.827614      5.512598      8.808197
  H       0.452288      5.066576      6.840399
  H       0.507227      5.029090      8.616287
  H       1.745996      2.091219      5.166236
  H       1.025945      3.705142      5.246167
  H       1.053653      1.613352      7.496939
  H       1.896929      3.187298      7.520865
  H      -1.984211      0.983822      9.465438
  H      -0.723041      0.560610      8.292912
  H      -1.466822      3.351980      9.344291
  H       0.062030      2.476818      9.619166
  C      -3.795502      5.000268      7.238971
  C      -4.783439      4.187204      6.472412
  C      -6.011422      4.531275      6.054942
  C      -6.777925      3.669285      5.151605
  N      -6.094334      2.770653      4.428952
  C      -6.772681      2.052677      3.501537
  N      -8.056886      2.129878      3.210553
  C      -8.791936      3.006214      3.957178
  C     -10.181599      3.119655      3.712480
  C     -10.946542      3.989049      4.461697
  C     -10.357842      4.771615      5.482810
  C      -9.003875      4.689706      5.735802
  C      -8.189352      3.814381      4.975328
  C      -0.397925      0.889123      4.428356
  C      -1.184476     -0.226076      5.051532
  C      -2.184123     -0.971278      4.539458
  C      -2.913484     -0.837476      3.273550
  N      -3.030701      0.368248      2.713054
  C      -3.819190      0.473157      1.615650
  N      -4.502055     -0.480915      1.012377
  C      -4.365886     -1.735767      1.534717
  C      -5.060775     -2.809439      0.927044
  C      -4.936532     -4.086302      1.432428
  C      -4.111823     -4.338826      2.553830
  C      -3.429418     -3.309924      3.170548
  C      -3.548475     -1.982757      2.685935
  C      -3.524021      0.573096      7.425527
  C      -4.746164      1.130741      8.089854
  C      -6.036891      1.011949      7.711226
  C      -6.585704      0.258490      6.585457
  N      -5.758125     -0.470208      5.827947
  C      -6.287741     -1.156158      4.789816
  N      -7.555058     -1.226343      4.428849
  C      -8.431578     -0.497947      5.181556
  C      -9.805131     -0.526350      4.837863
  C     -10.716885      0.203985      5.568229
  C     -10.291669      0.989445      6.664474
  C      -8.960383      1.033694      7.022722
  C      -7.994403      0.289458      6.297718
  H      -3.895273      6.072319      6.985763
  H      -4.020542      4.921103      8.326014
  H      -4.484487      3.169204      6.223433
  H      -6.430514      5.510865      6.298255
  H      -6.172204      1.345710      2.919003
  H     -10.614939      2.498250      2.928208
  H     -12.017805      4.074195      4.272063
  H     -10.981655      5.446961      6.070197
  H      -8.562938      5.292304      6.530491
  H       0.644200      0.529727      4.346866
  H      -0.758274      1.121216      3.416393
  H      -0.819610     -0.521780      6.040927
  H      -2.523734     -1.801090      5.163596
  H      -3.917461      1.483042      1.203757
  H      -5.685039     -2.589796      0.060290
  H      -5.474452     -4.912579      0.965163
  H      -4.015918     -5.357654      2.931877
  H      -2.790627     -3.524124      4.027380
  H      -3.214975     -0.347017      7.960165
  H      -3.748696      0.258003      6.400565
  H      -4.546903      1.724252      8.989167
  H      -6.763507      1.544942      8.324103
  H      -5.565729     -1.717614      4.188219
  H     -10.102423     -1.131598      3.980960
  H     -11.773816      0.186406      5.297684
  H     -11.023621      1.570316      7.227229
  H      -8.660481      1.651471      7.868214
  N      -3.083770      2.822497      4.537436
  H      -4.081344      2.570030      4.401799
  H      -2.663379      3.065668      3.635641
92
Coordinates from ORCA-job orca E -6200.540609730823
  N      -2.415126      4.570097      7.019172
  Mo     -1.967722      2.851870      6.104616
  N      -2.400876      1.512623      7.442194
  C      -1.470551      1.325194      8.555966
  C      -0.765796      2.632005      8.897654
  N      -0.249102      3.261667      7.656688
  C      -0.104750      4.730170      7.754389
  C      -1.479761      5.378273      7.779726
  C       1.001214      2.641116      7.150471
  C       0.934557      2.682453      5.625877
  N      -0.365976      2.139590      5.241209
  H      -1.414455      6.403724      7.371605
  H      -1.845719      5.484981      8.821142
  H       0.449204      5.060480      6.864731
  H       0.490545      5.008449      8.640723
  H       1.755375      2.101356      5.179192
  H       1.046696      3.719972      5.269621
  H       1.034808      1.597745      7.490958
  H       1.886574      3.166217      7.546466
  H      -2.003285      0.962034      9.450876
  H      -0.731738      0.542827      8.288950
  H      -1.486189      3.329579      9.344374
  H       0.046551      2.462345      9.625337
  C      -3.799304      5.010832      7.237934
  C      -4.795302      4.200427      6.481182
  C      -6.018921      4.548875      6.054130
  C      -6.788345      3.681373      5.157067
  N      -6.108870      2.772288      4.443778
  C      -6.787708      2.054236      3.517082
  N      -8.069490      2.140314      3.218411
  C      -8.801457      3.024419      3.958321
  C     -10.190029      3.144246      3.709172
  C     -10.952732      4.019223      4.453475
  C     -10.363166      4.802700      5.473795
  C      -9.010396      4.715673      5.730195
  C      -8.198035      3.833303      4.974995
  C      -0.387796      0.932483      4.386875
  C      -1.137522     -0.205351      5.014045
  C      -2.135285     -0.963258      4.518264
  C      -2.888050     -0.837558      3.265320
  N      -3.017909      0.363934      2.698194
  C      -3.825145      0.458845      1.613663
  N      -4.515812     -0.501389      1.029257
  C      -4.366889     -1.752053      1.558048
  C      -5.069049     -2.832156      0.970078
  C      -4.932213     -4.105000      1.481754
  C      -4.086930     -4.347150      2.590214
  C      -3.397311     -3.311914      3.187695
  C      -3.529127     -1.988504      2.696442
  C      -3.516966      0.566899      7.380813
  C      -4.735223      1.101469      8.072153
  C      -6.030036      0.978302      7.709491
  C      -6.585973      0.236922      6.579363
  N      -5.764803     -0.496603      5.819956
  C      -6.301548     -1.174693      4.780189
  N      -7.570210     -1.235889      4.422442
  C      -8.439892     -0.501936      5.177897
  C      -9.814466     -0.519484      4.837831
  C     -10.718123      0.220581      5.568401
  C     -10.283512      1.006288      6.660726
  C      -8.951129      1.039478      7.015923
  C      -7.993971      0.283083      6.291890
  H      -3.896883      6.082876      6.983632
  H      -4.014966      4.934420      8.326992
  H      -4.500226      3.180628      6.238126
  H      -6.434824      5.532387      6.286373
  H      -6.189818      1.339582      2.941789
  H     -10.624368      2.522183      2.926024
  H     -12.023050      4.108322      4.260599
  H     -10.985222      5.482598      6.057655
  H      -8.568431      5.318584      6.524016
  H       0.658211      0.596417      4.268336
  H      -0.783752      1.177381      3.391789
  H      -0.748674     -0.499613      5.995034
  H      -2.450489     -1.799408      5.146461
  H      -3.933088      1.465051      1.195430
  H      -5.708998     -2.620018      0.113004
  H      -5.475757     -4.935895      1.029581
  H      -3.980777     -5.362773      2.973946
  H      -2.743136     -3.519228      4.034476
  H      -3.206135     -0.374072      7.876985
  H      -3.746647      0.291391      6.345550
  H      -4.527885      1.682393      8.977670
  H      -6.753481      1.494225      8.340552
  H      -5.585710     -1.738236      4.173638
  H     -10.119216     -1.123676      3.982837
  H     -11.775701      0.210991      5.300197
  H     -11.008666      1.596430      7.222542
  H      -8.642598      1.659042      7.857091
  N      -3.097240      2.797949      4.549529
  H      -4.101246      2.553731      4.440883
  H      -2.702674      3.021882      3.631126
92
Coordinates from ORCA-job orca E -6200.542823799411
  N      -2.415887      4.577545      7.005237
  Mo     -1.957851      2.852818      6.103031
  N      -2.395651      1.508630      7.431920
  C      -1.481044      1.313526      8.556205
  C      -0.780048      2.619848      8.904221
  N      -0.259506      3.251131      7.664913
  C      -0.111666      4.719444      7.770563
  C      -1.485084      5.369457      7.790181
  C       0.994201      2.629986      7.165638
  C       0.948039      2.689784      5.641492
  N      -0.351914      2.164347      5.230009
  H      -1.411482      6.401409      7.399834
  H      -1.862764      5.461667      8.828799
  H       0.450761      5.053066      6.887579
  H       0.476684      4.991198      8.663562
  H       1.770100      2.105775      5.200797
  H       1.074935      3.729806      5.297586
  H       1.017022      1.582308      7.493440
  H       1.877628      3.144415      7.579657
  H      -2.025462      0.950527      9.444247
  H      -0.742103      0.528750      8.296868
  H      -1.506329      3.315217      9.344853
  H       0.029116      2.455085      9.636310
  C      -3.799019      5.021591      7.225968
  C      -4.801037      4.211447      6.478681
  C      -6.018329      4.562748      6.036915
  C      -6.785506      3.681418      5.149603
  N      -6.103925      2.757918      4.458120
  C      -6.777437      2.027581      3.537113
  N      -8.056040      2.114960      3.225544
  C      -8.790852      3.011775      3.946587
  C     -10.178130      3.129981      3.687040
  C     -10.944532      4.014637      4.415202
  C     -10.360762      4.811338      5.429232
  C      -9.009759      4.727132      5.694647
  C      -8.193524      3.833945      4.956016
  C      -0.376421      0.973995      4.351601
  C      -1.093157     -0.186305      4.977410
  C      -2.094068     -0.949419      4.495407
  C      -2.872620     -0.819669      3.258194
  N      -3.001570      0.381586      2.690161
  C      -3.827377      0.481456      1.620125
  N      -4.538336     -0.473511      1.052028
  C      -4.392723     -1.723888      1.582278
  C      -5.117822     -2.797954      1.010727
  C      -4.984991     -4.070863      1.522414
  C      -4.120521     -4.319770      2.614645
  C      -3.408586     -3.290789      3.196304
  C      -3.535959     -1.966439      2.705107
  C      -3.511044      0.563019      7.348632
  C      -4.722529      1.076458      8.067915
  C      -6.021207      0.945667      7.723483
  C      -6.581313      0.209858      6.592055
  N      -5.762879     -0.530792      5.836871
  C      -6.302679     -1.209128      4.798574
  N      -7.572035     -1.266693      4.442374
  C      -8.438120     -0.524273      5.193972
  C      -9.813079     -0.536319      4.854546
  C     -10.711816      0.215812      5.578701
  C     -10.272105      1.009563      6.663337
  C      -8.939581      1.037195      7.018341
  C      -7.988056      0.266440      6.301956
  H      -3.893958      6.092892      6.967004
  H      -4.010106      4.950846      8.316322
  H      -4.510376      3.187687      6.246681
  H      -6.431269      5.551344      6.251420
  H      -6.177798      1.300471      2.979636
  H     -10.608374      2.497721      2.909801
  H     -12.013639      4.101478      4.214681
  H     -10.986058      5.498730      6.000668
  H      -8.571938      5.339678      6.483324
  H       0.670851      0.658630      4.195026
  H      -0.807792      1.233252      3.375562
  H      -0.681935     -0.484294      5.948254
  H      -2.388820     -1.792472      5.123718
  H      -3.930906      1.486556      1.198194
  H      -5.771871     -2.580561      0.165690
  H      -5.546163     -4.896705      1.082718
  H      -4.017241     -5.335616      2.998513
  H      -2.740038     -3.505005      4.029813
  H      -3.196311     -0.395138      7.808209
  H      -3.748877      0.323201      6.306928
  H      -4.506204      1.649620      8.976146
  H      -6.742073      1.445290      8.370484
  H      -5.589741     -1.778337      4.193663
  H     -10.122026     -1.145483      4.004584
  H     -11.769479      0.210105      5.310728
  H     -10.993203      1.610540      7.218838
  H      -8.625931      1.664418      7.851970
  N      -3.097745      2.774893      4.556047
  H      -4.106603      2.541500      4.465577
  H      -2.722244      2.980872      3.625286
92
Coordinates from ORCA-job orca E -6200.544819011732
  N      -2.418494      4.582647      6.999643
  Mo     -1.954662      2.857078      6.100576
  N      -2.394838      1.502067      7.413393
  C      -1.493088      1.295287      8.545350
  C      -0.793669      2.599043      8.905509
  N      -0.271334      3.238151      7.670896
  C      -0.120393      4.705551      7.790418
  C      -1.492692      5.356396      7.809951
  C       0.984593      2.619701      7.173100
  C       0.954816      2.704308      5.649971
  N      -0.345010      2.198220      5.213754
  H      -1.413739      6.396137      7.442053
  H      -1.880024      5.428456      8.846508
  H       0.447448      5.046486      6.913830
  H       0.463171      4.967661      8.689394
  H       1.776624      2.118940      5.210543
  H       1.095276      3.747782      5.322399
  H       0.998583      1.566494      7.482937
  H       1.866429      3.122021      7.604942
  H      -2.047569      0.928818      9.425733
  H      -0.754900      0.509346      8.288258
  H      -1.524166      3.289986      9.346171
  H       0.013491      2.433570      9.639395
  C      -3.801013      5.027025      7.223748
  C      -4.808313      4.218873      6.482166
  C      -6.020259      4.576683      6.030380
  C      -6.788898      3.689192      5.149793
  N      -6.109333      2.754779      4.471318
  C      -6.782232      2.018164      3.554945
  N      -8.058371      2.110227      3.235489
  C      -8.791830      3.017465      3.944365
  C     -10.177706      3.139125      3.678360
  C     -10.943408      4.032386      4.396494
  C     -10.360505      4.835501      5.406136
  C      -9.010785      4.748772      5.676964
  C      -8.195367      3.846303      4.948928
  C      -0.370760      1.026470      4.310476
  C      -1.045016     -0.159225      4.936867
  C      -2.041747     -0.937231      4.469330
  C      -2.845455     -0.813793      3.247794
  N      -2.982876      0.383465      2.672566
  C      -3.828977      0.477342      1.618222
  N      -4.554141     -0.479862      1.072604
  C      -4.401643     -1.726250      1.610058
  C      -5.143267     -2.801883      1.063118
  C      -5.004625     -4.071095      1.582205
  C      -4.117441     -4.314646      2.657339
  C      -3.389352     -3.283849      3.215268
  C      -3.522421     -1.962964      2.716670
  C      -3.508209      0.555580      7.307877
  C      -4.712952      1.044929      8.055605
  C      -6.015534      0.907438      7.729035
  C      -6.581779      0.181180      6.595041
  N      -5.769209     -0.567660      5.841530
  C      -6.314595     -1.241131      4.802811
  N      -7.584593     -1.289066      4.447563
  C      -8.444093     -0.536979      5.197064
  C      -9.819032     -0.536644      4.857274
  C     -10.709820      0.229721      5.576358
  C     -10.261906      1.026550      6.655413
  C      -8.929393      1.041532      7.011394
  C      -7.986783      0.254200      6.301570
  H      -3.895370      6.098564      6.965583
  H      -4.008366      4.956093      8.314814
  H      -4.524172      3.192005      6.257700
  H      -6.428013      5.569680      6.233564
  H      -6.184005      1.281512      3.008810
  H     -10.607562      2.501855      2.905032
  H     -12.011466      4.121210      4.191432
  H     -10.985523      5.529516      5.969745
  H      -8.572987      5.365960      6.462037
  H       0.677245      0.738298      4.112926
  H      -0.841102      1.294899      3.355771
  H      -0.608107     -0.456330      5.896799
  H      -2.308033     -1.789296      5.097776
  H      -3.938300      1.479140      1.189911
  H      -5.814705     -2.588285      0.230902
  H      -5.578666     -4.898043      1.161721
  H      -4.009707     -5.327668      3.047294
  H      -2.704119     -3.494273      4.036068
  H      -3.188020     -0.419133      7.727133
  H      -3.754534      0.353247      6.260275
  H      -4.487928      1.608184      8.967757
  H      -6.733054      1.390042      8.392591
  H      -5.606264     -1.814830      4.196987
  H     -10.134197     -1.146935      4.010429
  H     -11.767340      0.233663      5.307904
  H     -10.976434      1.640177      7.205525
  H      -8.608236      1.672761      7.839257
  N      -3.104652      2.768043      4.561197
  H      -4.117754      2.543397      4.486688
  H      -2.746456      2.965332      3.621764
92
Coordinates from ORCA-job orca E -6200.546653948652
  N      -2.416596      4.587871      6.988287
  Mo     -1.946544      2.857975      6.099070
  N      -2.392340      1.495441      7.400151
  C      -1.504179      1.282520      8.542243
  C      -0.807350      2.585149      8.910943
  N      -0.280504      3.228578      7.679983
  C      -0.127079      4.695666      7.808429
  C      -1.498805      5.346900      7.822976
  C       0.978847      2.610346      7.188411
  C       0.968856      2.713930      5.666433
  N      -0.330417      2.228029      5.205037
  H      -1.414733      6.392841      7.474267
  H      -1.898122      5.401866      8.855980
  H       0.447421      5.040557      6.937878
  H       0.450438      4.951325      8.713117
  H       1.790450      2.124843      5.231373
  H       1.124539      3.759225      5.351714
  H       0.982894      1.553153      7.484378
  H       1.857812      3.101615      7.638453
  H      -2.069724      0.916397      9.415741
  H      -0.766313      0.494562      8.291378
  H      -1.542071      3.273444      9.348742
  H      -0.003285      2.420568      9.648245
  C      -3.800505      5.031221      7.208887
  C      -4.809499      4.220202      6.472628
  C      -6.014572      4.581483      6.005106
  C      -6.781772      3.682071      5.134499
  N      -6.100989      2.734428      4.476223
  C      -6.770067      1.984587      3.567701
  N      -8.043275      2.076359      3.237578
  C      -8.778588      2.996803      3.926956
  C     -10.162544      3.117510      3.650630
  C     -10.930733      4.022272      4.351491
  C     -10.352410      4.838957      5.352931
  C      -9.004365      4.754160      5.632676
  C      -8.186582      3.839808      4.922661
  C      -0.358769      1.074580      4.278054
  C      -0.996540     -0.135226      4.898515
  C      -1.994497     -0.919288      4.441931
  C      -2.825947     -0.789189      3.239908
  N      -2.958663      0.407898      2.662418
  C      -3.827259      0.511432      1.627905
  N      -4.581289     -0.435762      1.104861
  C      -4.436993     -1.682018      1.644660
  C      -5.212242     -2.745821      1.121744
  C      -5.083308     -4.015436      1.641999
  C      -4.171967     -4.271430      2.693600
  C      -3.410963     -3.252243      3.228507
  C      -3.533785     -1.930049      2.729626
  C      -3.504278      0.548632      7.279089
  C      -4.700581      1.014456      8.054856
  C      -6.006498      0.866117      7.747513
  C      -6.575940      0.144380      6.612740
  N      -5.766415     -0.613818      5.865164
  C      -6.313832     -1.287577      4.827418
  N      -7.583772     -1.329878      4.471207
  C      -8.439566     -0.567220      5.214360
  C      -9.814064     -0.559512      4.872537
  C     -10.699802      0.220530      5.583187
  C     -10.247269      1.024864      6.654807
  C      -8.915267      1.032402      7.013216
  C      -7.978756      0.229105      6.313559
  H      -3.895248      6.101786      6.946810
  H      -4.008886      4.964187      8.300026
  H      -4.531420      3.188469      6.262280
  H      -6.417346      5.579775      6.190664
  H      -6.170860      1.236359      3.038830
  H     -10.589130      2.469739      2.884262
  H     -11.997446      4.109907      4.139103
  H     -10.979810      5.541740      5.902820
  H      -8.569529      5.381747      6.411105
  H       0.687714      0.811426      4.041596
  H      -0.865245      1.353094      3.345450
  H      -0.537546     -0.437171      5.846527
  H      -2.238729     -1.780433      5.066351
  H      -3.928433      1.512378      1.195725
  H      -5.901435     -2.522619      0.306791
  H      -5.683334     -4.833200      1.240302
  H      -4.071870     -5.285058      3.083972
  H      -2.707846     -3.473952      4.030854
  H      -3.177419     -0.439587      7.659497
  H      -3.761199      0.381005      6.228101
  H      -4.466998      1.570934      8.968873
  H      -6.721468      1.331886      8.425839
  H      -5.607069     -1.867443      4.225378
  H     -10.132773     -1.174584      4.030509
  H     -11.756891      0.230211      5.313231
  H     -10.957696      1.650394      7.196764
  H      -8.589429      1.670648      7.834003
  N      -3.097252      2.758665      4.559939
  H      -4.113252      2.541989      4.492269
  H      -2.746803      2.948680      3.615809
92
Coordinates from ORCA-job orca E -6200.548335745561
  N      -2.416357      4.592666      6.985727
  Mo     -1.946579      2.862950      6.097513
  N      -2.395982      1.487768      7.381391
  C      -1.517473      1.264232      8.529705
  C      -0.820174      2.563035      8.911595
  N      -0.290546      3.215957      7.686788
  C      -0.134247      4.681934      7.828855
  C      -1.505020      5.334102      7.844086
  C       0.969802      2.599456      7.195399
  C       0.974685      2.727083      5.675541
  N      -0.325464      2.264474      5.192081
  H      -1.417343      6.386769      7.517533
  H      -1.913445      5.368274      8.874370
  H       0.443806      5.033619      6.963454
  H       0.440006      4.928366      8.738122
  H       1.793588      2.134499      5.240151
  H       1.145550      3.774787      5.377017
  H       0.964633      1.537455      7.473549
  H       1.847447      3.077443      7.662064
  H      -2.091761      0.895269      9.396262
  H      -0.781282      0.474929      8.279325
  H      -1.556539      3.247482      9.352727
  H      -0.017922      2.393120      9.649533
  C      -3.801580      5.034046      7.205185
  C      -4.812189      4.221956      6.471486
  C      -6.010567      4.590125      5.991803
  C      -6.778666      3.685690      5.127454
  N      -6.098681      2.727906      4.483006
  C      -6.766798      1.968561      3.581534
  N      -8.038250      2.060994      3.245039
  C      -8.773030      2.992601      3.919924
  C     -10.155390      3.114312      3.637016
  C     -10.923468      4.029262      4.325033
  C     -10.346398      4.855605      5.319133
  C      -8.999456      4.770231      5.604647
  C      -8.182001      3.845660      4.907983
  C      -0.355193      1.130390      4.241594
  C      -0.952403     -0.103228      4.856662
  C      -1.944180     -0.900936      4.409018
  C      -2.798667     -0.775583      3.223327
  N      -2.934769      0.416411      2.635277
  C      -3.824774      0.516674      1.619275
  N      -4.599347     -0.429242      1.124260
  C      -4.453172     -1.670807      1.674109
  C      -5.251926     -2.732094      1.182528
  C      -5.122421     -3.997415      1.713291
  C      -4.186538     -4.251299      2.743542
  C      -3.402670     -3.234001      3.248455
  C      -3.525880     -1.915764      2.739552
  C      -3.506276      0.540538      7.245522
  C      -4.693130      0.980472      8.050374
  C      -6.002131      0.822645      7.761752
  C      -6.576163      0.109607      6.624253
  N      -5.771536     -0.657352      5.880269
  C      -6.322558     -1.326504      4.841069
  N      -7.592207     -1.358418      4.482602
  C      -8.442533     -0.585605      5.221518
  C      -9.816000     -0.564720      4.876208
  C     -10.694671      0.229409      5.580254
  C     -10.235781      1.035538      6.647852
  C      -8.904693      1.029692      7.010246
  C      -7.976324      0.210392      6.318650
  H      -3.897643      6.104410      6.943287
  H      -4.010588      4.966590      8.296135
  H      -4.543059      3.185645      6.272841
  H      -6.406211      5.593568      6.164399
  H      -6.168059      1.211697      3.064553
  H     -10.581211      2.458987      2.876629
  H     -11.989233      4.117539      4.108029
  H     -10.973985      5.566116      5.858859
  H      -8.565035      5.405263      6.377337
  H       0.688874      0.896061      3.967636
  H      -0.897122      1.414830      3.331388
  H      -0.472485     -0.405347      5.794221
  H      -2.162711     -1.771421      5.029762
  H      -3.927602      1.513940      1.179040
  H      -5.959668     -2.510240      0.383265
  H      -5.740854     -4.813294      1.336414
  H      -4.086291     -5.261730      3.142152
  H      -2.682137     -3.454504      4.035575
  H      -3.171873     -0.460043      7.584183
  H      -3.776108      0.409036      6.192181
  H      -4.450401      1.527896      8.967396
  H      -6.713570      1.271662      8.455102
  H      -5.618845     -1.912169      4.241463
  H     -10.139402     -1.180295      4.036301
  H     -11.750966      0.249513      5.307642
  H     -10.940450      1.673187      7.183280
  H      -8.572832      1.670270      7.826997
  N      -3.099793      2.764721      4.559431
  H      -4.118055      2.554074      4.497809
  H      -2.755271      2.956182      3.613457
92
Coordinates from ORCA-job orca E -6200.549875380407
  N      -2.415784      4.595779      6.978295
  Mo     -1.945258      2.864662      6.094863
  N      -2.399213      1.478139      7.364358
  C      -1.531417      1.248032      8.520528
  C      -0.835151      2.544233      8.913506
  N      -0.300417      3.204648      7.694780
  C      -0.142824      4.669786      7.846925
  C      -1.513117      5.322135      7.859292
  C       0.961293      2.588584      7.206608
  C       0.983653      2.736212      5.689199
  N      -0.316434      2.296778      5.183118
  H      -1.422252      6.380271      7.552104
  H      -1.932100      5.337973      8.885750
  H       0.439317      5.026189      6.986291
  H       0.427016      4.910002      8.760574
  H       1.799922      2.138469      5.256043
  H       1.170747      3.785145      5.404776
  H       0.946145      1.522778      7.469633
  H       1.836886      3.053908      7.689760
  H      -2.115055      0.878123      9.380412
  H      -0.795957      0.457242      8.273874
  H      -1.573369      3.225789      9.356040
  H      -0.035937      2.369643      9.653612
  C      -3.803566      5.033770      7.192497
  C      -4.812278      4.217004      6.460572
  C      -6.002773      4.590224      5.964648
  C      -6.772769      3.680688      5.107303
  N      -6.094763      2.713541      4.474728
  C      -6.763377      1.946232      3.580270
  N      -8.033557      2.039345      3.239757
  C      -8.766542      2.981361      3.902040
  C     -10.147605      3.104567      3.614560
  C     -10.914219      4.029432      4.291108
  C     -10.336635      4.864709      5.277246
  C      -8.990466      4.778289      5.566542
  C      -8.174698      3.843545      4.881862
  C      -0.344391      1.180408      4.211752
  C      -0.904443     -0.074887      4.818519
  C      -1.892142     -0.881934      4.377937
  C      -2.770567     -0.754702      3.210848
  N      -2.903822      0.433906      2.614527
  C      -3.815896      0.538541      1.619390
  N      -4.616881     -0.399918      1.152592
  C      -4.475262     -1.638691      1.709806
  C      -5.302661     -2.691276      1.247921
  C      -5.178116     -3.954464      1.784945
  C      -4.218326     -4.214772      2.791139
  C      -3.406705     -3.205522      3.267792
  C      -3.524281     -1.888847      2.753176
  C      -3.507490      0.530204      7.216348
  C      -4.683974      0.944698      8.049245
  C      -5.995730      0.776567      7.779921
  C      -6.575074      0.072680      6.639629
  N      -5.775429     -0.699675      5.895835
  C      -6.331284     -1.363436      4.855303
  N      -7.601153     -1.386548      4.497281
  C      -8.445801     -0.606785      5.235426
  C      -9.819054     -0.575056      4.890333
  C     -10.690553      0.228889      5.592326
  C     -10.224528      1.034520      6.657190
  C      -8.893537      1.017468      7.019991
  C      -7.973312      0.186854      6.331355
  H      -3.902133      6.103032      6.927531
  H      -4.015697      4.968379      8.282913
  H      -4.551132      3.175068      6.279155
  H      -6.390325      5.599365      6.121445
  H      -6.166169      1.181613      3.073197
  H     -10.573959      2.442402      2.860444
  H     -11.979251      4.118837      4.071014
  H     -10.963258      5.582891      5.807860
  H      -8.555305      5.420354      6.332996
  H       0.696622      0.974793      3.905387
  H      -0.916971      1.468771      3.321983
  H      -0.406175     -0.379147      5.745723
  H      -2.088796     -1.761473      4.992793
  H      -3.913326      1.532802      1.171379
  H      -6.028044     -2.464398      0.466131
  H      -5.818737     -4.763633      1.431452
  H      -4.122048     -5.223774      3.194310
  H      -2.668893     -3.432142      4.036869
  H      -3.165378     -0.480201      7.514820
  H      -3.791383      0.433132      6.162665
  H      -4.431809      1.483583      8.968693
  H      -6.702845      1.208635      8.488467
  H      -5.630957     -1.952617      4.255557
  H     -10.147946     -1.189626      4.051829
  H     -11.746707      0.257589      5.319956
  H     -10.923544      1.680538      7.190021
  H      -8.555087      1.657684      7.834478
  N      -3.093534      2.768610      4.551609
  H      -4.112994      2.561743      4.488247
  H      -2.746872      2.965305      3.607330
92
Coordinates from ORCA-job orca E -6200.551269165668
  N      -2.414733      4.599764      6.974999
  Mo     -1.948516      2.868568      6.092667
  N      -2.406920      1.470080      7.347862
  C      -1.548788      1.232332      8.510389
  C      -0.850219      2.523660      8.913933
  N      -0.310095      3.191343      7.701408
  C      -0.149446      4.655234      7.863899
  C      -1.518278      5.309672      7.876109
  C       0.950596      2.574494      7.213099
  C       0.987377      2.744629      5.698940
  N      -0.313558      2.330297      5.173134
  H      -1.423704      6.372718      7.587832
  H      -1.945475      5.307996      8.899275
  H       0.435333      5.015777      7.006812
  H       0.418146      4.888611      8.780706
  H       1.799038      2.141431      5.265030
  H       1.191245      3.794725      5.430424
  H       0.924559      1.504769      7.459353
  H       1.825790      3.025070      7.711006
  H      -2.141305      0.862261      9.364135
  H      -0.815754      0.438619      8.266971
  H      -1.587690      3.204003      9.359613
  H      -0.053698      2.341314      9.655121
  C      -3.804450      5.035641      7.185162
  C      -4.811904      4.215041      6.455048
  C      -5.993750      4.594865      5.943818
  C      -6.767819      3.682182      5.094149
  N      -6.093268      2.705119      4.473208
  C      -6.765135      1.928670      3.588764
  N      -8.035532      2.021753      3.248426
  C      -8.764646      2.975576      3.898403
  C     -10.145401      3.100030      3.610362
  C     -10.908087      4.036586      4.275402
  C     -10.326583      4.882628      5.250003
  C      -8.980458      4.794935      5.539492
  C      -8.168785      3.848298      4.866313
  C      -0.339880      1.232045      4.181004
  C      -0.861750     -0.044174      4.777952
  C      -1.841524     -0.864342      4.343233
  C      -2.742372     -0.741057      3.193388
  N      -2.879570      0.442230      2.586987
  C      -3.811071      0.543563      1.609990
  N      -4.629025     -0.393597      1.169954
  C      -4.483705     -1.627908      1.735973
  C      -5.327730     -2.678997      1.301446
  C      -5.199093     -3.938543      1.846094
  C      -4.218922     -4.196241      2.833201
  C      -3.391687     -3.187725      3.284209
  C      -3.512212     -1.874571      2.761281
  C      -3.514369      0.522414      7.189375
  C      -4.681552      0.914530      8.046209
  C      -5.995470      0.738051      7.793812
  C      -6.580527      0.042243      6.651370
  N      -5.786173     -0.736979      5.909414
  C      -6.347027     -1.396876      4.868540
  N      -7.616763     -1.410192      4.509756
  C      -8.455305     -0.621163      5.245073
  C      -9.827646     -0.576263      4.897998
  C     -10.691289      0.240237      5.595361
  C     -10.218200      1.045584      6.657419
  C      -8.888101      1.014900      7.022949
  C      -7.976485      0.170821      6.339354
  H      -3.904775      6.103859      6.917318
  H      -4.018680      4.971928      8.275146
  H      -4.561527      3.166625      6.292367
  H      -6.370900      5.610457      6.084421
  H      -6.170900      1.155957      3.090440
  H     -10.574884      2.429626      2.865277
  H     -11.973040      4.127062      4.055079
  H     -10.950191      5.609948      5.771770
  H      -8.542130      5.445348      6.297142
  H       0.697048      1.056092      3.844136
  H      -0.940483      1.523649      3.311307
  H      -0.344067     -0.349669      5.694096
  H      -2.012067     -1.753885      4.951202
  H      -3.910575      1.533779      1.153654
  H      -6.068675     -2.453900      0.533823
  H      -5.852532     -4.746546      1.513937
  H      -4.119830     -5.202399      3.242861
  H      -2.639698     -3.412824      4.039857
  H      -3.166415     -0.495388      7.453042
  H      -3.811061      0.455210      6.136401
  H      -4.420754      1.446477      8.967307
  H      -6.697859      1.156350      8.515370
  H      -5.650948     -1.992725      4.270782
  H     -10.162011     -1.190143      4.061080
  H     -11.746710      0.279455      5.321247
  H     -10.911026      1.701972      7.185783
  H      -8.543103      1.654556      7.835232
  N      -3.095537      2.778441      4.547618
  H      -4.115297      2.572391      4.483935
  H      -2.747626      2.985178      3.606019
92
Coordinates from ORCA-job orca E -6200.552506737241
  N      -2.414408      4.602518      6.969782
  Mo     -1.950740      2.871464      6.089168
  N      -2.411211      1.461551      7.331457
  C      -1.563047      1.217237      8.499982
  C      -0.863715      2.505054      8.913926
  N      -0.318558      3.179593      7.707789
  C      -0.156901      4.642356      7.878913
  C      -1.524905      5.297785      7.889613
  C       0.941218      2.562222      7.220104
  C       0.992465      2.751865      5.708927
  N      -0.308720      2.361314      5.164029
  H      -1.427410      6.364976      7.618516
  H      -1.960505      5.280246      8.908987
  H       0.430176      5.006778      7.025164
  H       0.407799      4.871098      8.798645
  H       1.799871      2.142945      5.275455
  H       1.212700      3.802279      5.454952
  H       0.905306      1.489354      7.451091
  H       1.815819      2.999124      7.731279
  H      -2.163714      0.846295      9.347647
  H      -0.831245      0.421411      8.260161
  H      -1.600878      3.183748      9.362549
  H      -0.070039      2.315588      9.656420
  C      -3.806331      5.035406      7.175421
  C      -4.810237      4.208355      6.447397
  C      -5.982761      4.593353      5.918657
  C      -6.760937      3.678165      5.076313
  N      -6.089800      2.692855      4.464495
  C      -6.764700      1.910747      3.587424
  N      -8.034714      2.005205      3.246607
  C      -8.760120      2.968562      3.886680
  C     -10.140120      3.095758      3.596879
  C     -10.899094      4.042183      4.252147
  C     -10.314241      4.895708      5.218074
  C      -8.968532      4.805465      5.508741
  C      -8.160742      3.848538      4.845529
  C      -0.330898      1.278859      4.153991
  C      -0.814377     -0.016403      4.741694
  C      -1.788287     -0.847679      4.314844
  C      -2.712587     -0.723692      3.184731
  N      -2.847215      0.455986      2.570138
  C      -3.798981      0.562341      1.614159
  N      -4.640923     -0.366321      1.202449
  C      -4.499973     -1.597807      1.775732
  C      -5.368813     -2.639704      1.369125
  C      -5.244312     -3.897449      1.918579
  C      -4.243969     -4.162188      2.883139
  C      -3.392875     -3.162118      3.307897
  C      -3.507766     -1.850375      2.779779
  C      -3.516928      0.513936      7.160698
  C      -4.676820      0.885259      8.037043
  C      -5.992038      0.699430      7.799648
  C      -6.582353      0.008986      6.656670
  N      -5.792670     -0.775687      5.915515
  C      -6.359176     -1.434768      4.876812
  N      -7.629379     -1.442011      4.520297
  C      -8.462300     -0.645071      5.253568
  C      -9.834640     -0.592059      4.908177
  C     -10.691439      0.233737      5.603122
  C     -10.211399      1.040349      6.661026
  C      -8.881232      1.001014      7.025552
  C      -7.977090      0.146988      6.344647
  H      -3.909705      6.101978      6.902738
  H      -4.022620      4.974726      8.265049
  H      -4.568967      3.154037      6.307745
  H      -6.348975      5.615367      6.040950
  H      -6.173837      1.131375      3.096045
  H     -10.572142      2.419786      2.858428
  H     -11.963537      4.134873      4.030608
  H     -10.934786      5.630965      5.732187
  H      -8.527563      5.461966      6.259512
  H       0.701199      1.132622      3.789403
  H      -0.957008      1.570774      3.302856
  H      -0.276623     -0.322848      5.645947
  H      -1.934167     -1.745900      4.916074
  H      -3.892965      1.549047      1.149136
  H      -6.124787     -2.409162      0.618047
  H      -5.916630     -4.698318      1.607753
  H      -4.148117     -5.167031      3.296622
  H      -2.626254     -3.394269      4.046417
  H      -3.164922     -0.509632      7.394260
  H      -3.823590      0.474033      6.108906
  H      -4.409173      1.411377      8.959435
  H      -6.690099      1.104194      8.533167
  H      -5.668182     -2.037326      4.280122
  H     -10.174532     -1.206742      4.074151
  H     -11.746802      0.279479      5.330055
  H     -10.898820      1.704339      7.186827
  H      -8.529780      1.640842      7.834953
  N      -3.094110      2.786920      4.539787
  H      -4.113412      2.578646      4.472963
  H      -2.743298      3.006793      3.602160
92
Coordinates from ORCA-job orca E -6200.553605843373
  N      -2.414087      4.605608      6.969169
  Mo     -1.955674      2.875146      6.087752
  N      -2.417498      1.453862      7.319370
  C      -1.576937      1.203103      8.491884
  C      -0.875364      2.486243      8.914338
  N      -0.326746      3.167055      7.713261
  C      -0.162890      4.628849      7.892528
  C      -1.529565      5.285824      7.905104
  C       0.931367      2.549066      7.223556
  C       0.993298      2.758613      5.716051
  N      -0.308888      2.391744      5.156393
  H      -1.429106      6.356888      7.650783
  H      -1.971168      5.253265      8.921527
  H       0.425176      4.996549      7.040869
  H       0.401362      4.852335      8.813888
  H       1.795361      2.144481      5.280047
  H       1.229009      3.809153      5.476359
  H       0.886809      1.473403      7.439719
  H       1.806057      2.972735      7.745998
  H      -2.183983      0.831714      9.334868
  H      -0.847206      0.404625      8.254390
  H      -1.610468      3.164356      9.367228
  H      -0.082817      2.289502      9.656277
  C      -3.807907      5.036282      7.170443
  C      -4.809434      4.202929      6.445817
  C      -5.971588      4.592751      5.898225
  C      -6.756514      3.673699      5.066079
  N      -6.092150      2.676540      4.466523
  C      -6.773905      1.887208      3.600348
  N      -8.044209      1.985539      3.260887
  C      -8.761945      2.962776      3.888584
  C     -10.141727      3.095620      3.599174
  C     -10.892877      4.056287      4.242489
  C     -10.300328      4.919109      5.195842
  C      -8.954868      4.823289      5.485763
  C      -8.155051      3.851429      4.834327
  C      -0.331178      1.326331      4.127729
  C      -0.775228      0.011482      4.702798
  C      -1.740462     -0.833491      4.281855
  C      -2.688034     -0.712437      3.170504
  N      -2.830041      0.463120      2.549864
  C      -3.798254      0.566284      1.610030
  N      -4.650814     -0.362353      1.220169
  C      -4.503104     -1.590304      1.799339
  C      -5.381380     -2.632560      1.413867
  C      -5.249749     -3.887808      1.967251
  C      -4.233152     -4.149382      2.915834
  C      -3.373288     -3.148537      3.320857
  C      -3.494141     -1.839277      2.787652
  C      -3.523975      0.507533      7.140711
  C      -4.678359      0.865337      8.030684
  C      -5.994497      0.674033      7.804599
  C      -6.589714     -0.013039      6.661527
  N      -5.804732     -0.805115      5.923685
  C      -6.377066     -1.466324      4.888711
  N      -7.647524     -1.465720      4.532566
  C      -8.474098     -0.657578      5.260725
  C      -9.845759     -0.593492      4.914084
  C     -10.694919      0.244707      5.603580
  C     -10.208081      1.053021      6.657394
  C      -8.878700      1.002692      7.023478
  C      -7.982678      0.135787      6.347941
  H      -3.913439      6.100950      6.891746
  H      -4.025513      4.979611      8.259825
  H      -4.579191      3.141648      6.332835
  H      -6.324198      5.622073      5.999148
  H      -6.189063      1.098301      3.117069
  H     -10.579777      2.412631      2.870623
  H     -11.957118      4.153430      4.021334
  H     -10.914821      5.665827      5.700852
  H      -8.508001      5.487034      6.226780
  H       0.694461      1.210392      3.734873
  H      -0.983379      1.619795      3.297539
  H      -0.215999     -0.297445      5.593245
  H      -1.855683     -1.742742      4.873052
  H      -3.896253      1.549461      1.138376
  H      -6.150081     -2.404284      0.674958
  H      -5.929344     -4.688770      1.672606
  H      -4.131896     -5.152167      3.333212
  H      -2.595395     -3.379378      4.048051
  H      -3.170562     -0.519761      7.354093
  H      -3.837833      0.486498      6.090210
  H      -4.405358      1.389263      8.952813
  H      -6.688439      1.070490      8.546802
  H      -5.692348     -2.080234      4.296526
  H     -10.191280     -1.209532      4.083218
  H     -11.749689      0.299037      5.329293
  H     -10.889624      1.727025      7.178329
  H      -8.520734      1.643374      7.829494
  N      -3.100007      2.795639      4.540108
  H      -4.118853      2.584296      4.474371
  H      -2.750807      3.030615      3.605584
92
Coordinates from ORCA-job orca E -6200.554612670396
  N      -2.416332      4.607829      6.971253
  Mo     -1.963674      2.879592      6.086075
  N      -2.421984      1.447436      7.306550
  C      -1.587919      1.188394      8.481195
  C      -0.883391      2.467259      8.912590
  N      -0.334250      3.154484      7.716310
  C      -0.168534      4.614787      7.903768
  C      -1.534258      5.273149      7.920712
  C       0.920667      2.535853      7.222013
  C       0.990001      2.763777      5.717382
  N      -0.313943      2.420298      5.145601
  H      -1.431616      6.347614      7.682608
  H      -1.979777      5.225915      8.934695
  H       0.418401      4.986799      7.053335
  H       0.396504      4.833621      8.825765
  H       1.786202      2.144677      5.277850
  H       1.240188      3.813919      5.491246
  H       0.868479      1.457640      7.423478
  H       1.797002      2.946376      7.752194
  H      -2.199589      0.815172      9.319969
  H      -0.860002      0.388200      8.244189
  H      -1.616223      3.143638      9.371582
  H      -0.091002      2.262808      9.652613
  C      -3.810732      5.037451      7.172522
  C      -4.809824      4.197292      6.452470
  C      -5.960955      4.593503      5.886383
  C      -6.750791      3.674825      5.060019
  N      -6.090875      2.669686      4.468578
  C      -6.775833      1.878751      3.606626
  N      -8.044723      1.982309      3.264405
  C      -8.758012      2.968075      3.883810
  C     -10.136373      3.106774      3.590973
  C     -10.883086      4.076142      4.226354
  C     -10.287110      4.942054      5.174597
  C      -8.942733      4.840536      5.467439
  C      -8.147588      3.859611      4.824161
  C      -0.334928      1.370802      4.100253
  C      -0.734808      0.038253      4.665785
  C      -1.691480     -0.821383      4.254482
  C      -2.661013     -0.703744      3.162872
  N      -2.805111      0.467207      2.533570
  C      -3.788808      0.570298      1.610828
  N      -4.655671     -0.354521      1.244849
  C      -4.507641     -1.578589      1.832259
  C      -5.399538     -2.617125      1.469112
  C      -5.267429     -3.869500      2.028765
  C      -4.237515     -4.131091      2.962566
  C      -3.364471     -3.133267      3.346472
  C      -3.483850     -1.827265      2.805462
  C      -3.528145      0.502694      7.117110
  C      -4.679232      0.849368      8.016710
  C      -5.995506      0.651453      7.799372
  C      -6.594006     -0.036027      6.658561
  N      -5.812039     -0.833639      5.923270
  C      -6.389467     -1.499547      4.894142
  N      -7.660605     -1.496620      4.540859
  C      -8.482865     -0.680084      5.264373
  C      -9.854498     -0.611509      4.919061
  C     -10.698535      0.235396      5.604270
  C     -10.206465      1.047877      6.652272
  C      -8.877014      0.992811      7.017288
  C      -7.986463      0.117140      6.346124
  H      -3.919467      6.100179      6.888212
  H      -4.027035      4.984599      8.262186
  H      -4.589241      3.131221      6.367922
  H      -6.298994      5.629570      5.966431
  H      -6.195350      1.083096      3.129681
  H     -10.576971      2.421376      2.866418
  H     -11.946250      4.177838      4.002693
  H     -10.897876      5.695807      5.673399
  H      -8.493152      5.506723      6.204504
  H       0.682654      1.286424      3.679469
  H      -1.014410      1.660393      3.291398
  H      -0.151767     -0.269380      5.541271
  H      -1.778115     -1.738162      4.838538
  H      -3.885609      1.549344      1.130328
  H      -6.178747     -2.388537      0.741563
  H      -5.957356     -4.667489      1.751045
  H      -4.136010     -5.131366      3.385594
  H      -2.576894     -3.365602      4.062537
  H      -3.175228     -0.527944      7.313802
  H      -3.846313      0.498713      6.067514
  H      -4.402806      1.371823      8.938499
  H      -6.686641      1.040120      8.548330
  H      -5.710837     -2.122332      4.304933
  H     -10.204244     -1.230829      4.092561
  H     -11.753186      0.293297      5.330742
  H     -10.883850      1.728854      7.169322
  H      -8.513890      1.636274      7.818693
  N      -3.111364      2.807086      4.538972
  H      -4.129115      2.587671      4.474626
  H      -2.766764      3.059161      3.607076
92
Coordinates from ORCA-job orca E -6200.555549606111
  N      -2.419653      4.608583      6.976782
  Mo     -1.972738      2.882563      6.086377
  N      -2.427441      1.439371      7.298638
  C      -1.598215      1.173925      8.474923
  C      -0.890925      2.448677      8.912129
  N      -0.342623      3.141318      7.718678
  C      -0.174209      4.600652      7.913423
  C      -1.538918      5.260156      7.937145
  C       0.909222      2.521653      7.218829
  C       0.984438      2.767968      5.717838
  N      -0.321433      2.446666      5.137674
  H      -1.434429      6.337715      7.714058
  H      -1.986411      5.199519      8.949516
  H       0.410926      4.976190      7.063313
  H       0.393510      4.814259      8.835072
  H       1.774470      2.144601      5.273029
  H       1.248051      3.817567      5.504205
  H       0.849262      1.441157      7.406257
  H       1.787068      2.919532      7.756343
  H      -2.213622      0.800402      9.310896
  H      -0.872601      0.371274      8.239314
  H      -1.620795      3.124289      9.376912
  H      -0.097113      2.238602      9.649139
  C      -3.815086      5.036821      7.176311
  C      -4.811942      4.188919      6.461417
  C      -5.950710      4.588885      5.873277
  C      -6.747431      3.667033      5.056560
  N      -6.095327      2.649181      4.478827
  C      -6.785998      1.854451      3.624050
  N      -8.053209      1.965936      3.278243
  C      -8.758578      2.965420      3.884601
  C     -10.135242      3.113458      3.587512
  C     -10.873875      4.097138      4.210139
  C     -10.271410      4.968817      5.149321
  C      -8.928580      4.858276      5.445880
  C      -8.141804      3.862284      4.815600
  C      -0.345096      1.415910      4.073629
  C      -0.698085      0.064224      4.623869
  C      -1.645476     -0.810342      4.220783
  C      -2.640240     -0.695928      3.151281
  N      -2.795915      0.471959      2.519356
  C      -3.793499      0.570567      1.611039
  N      -4.663102     -0.357503      1.259943
  C      -4.504541     -1.578967      1.850087
  C      -5.396107     -2.621890      1.498278
  C      -5.253064     -3.872849      2.058393
  C      -4.213604     -4.127824      2.983525
  C      -3.340870     -3.125516      3.356719
  C      -3.468747     -1.821644      2.812354
  C      -3.536140      0.497680      7.105241
  C      -4.682829      0.840701      8.012814
  C      -5.999900      0.640519      7.804154
  C      -6.602843     -0.048804      6.666639
  N      -5.824811     -0.854194      5.936039
  C      -6.406978     -1.524414      4.912114
  N      -7.678153     -1.514520      4.558055
  C      -8.495045     -0.687086      5.275193
  C      -9.865707     -0.608796      4.927454
  C     -10.703343      0.249277      5.606644
  C     -10.206068      1.063599      6.651008
  C      -8.877723      0.999281      7.018399
  C      -7.993909      0.112174      6.353195
  H      -3.926781      6.097152      6.884665
  H      -4.030671      4.989269      8.266146
  H      -4.601865      3.117747      6.409423
  H      -6.272158      5.632010      5.928033
  H      -6.212006      1.048275      3.156996
  H     -10.580969      2.423678      2.870173
  H     -11.935726      4.206139      3.983392
  H     -10.876020      5.734098      5.638102
  H      -8.473864      5.528820      6.175949
  H       0.662199      1.365529      3.623289
  H      -1.054544      1.702483      3.290509
  H      -0.087685     -0.244910      5.480155
  H      -1.698284     -1.737170      4.792650
  H      -3.897362      1.546984      1.126696
  H      -6.183847     -2.397838      0.778438
  H      -5.942612     -4.674109      1.789050
  H      -4.104161     -5.126502      3.408485
  H      -2.546436     -3.354283      4.066371
  H      -3.185063     -0.535186      7.292619
  H      -3.858547      0.503510      6.056750
  H      -4.401793      1.364791      8.932313
  H      -6.687219      1.027807      8.557495
  H      -5.734097     -2.157934      4.327804
  H     -10.219904     -1.229663      4.103920
  H     -11.757104      0.314638      5.331050
  H     -10.878484      1.753573      7.162756
  H      -8.509349      1.644255      7.816274
  N      -3.124969      2.815280      4.544015
  H      -4.142602      2.591243      4.484319
  H      -2.788527      3.085005      3.613987
92
Coordinates from ORCA-job orca E -6200.556378713020
  N      -2.422589      4.609345      6.985089
  Mo     -1.981283      2.887595      6.085225
  N      -2.431892      1.432515      7.285701
  C      -1.607010      1.156806      8.462047
  C      -0.896808      2.426856      8.908518
  N      -0.350174      3.127426      7.719467
  C      -0.178677      4.585062      7.924197
  C      -1.542070      5.246339      7.955592
  C       0.898408      2.507634      7.212964
  C       0.978426      2.772404      5.715674
  N      -0.329304      2.472989      5.127566
  H      -1.435376      6.326713      7.747797
  H      -1.991226      5.172167      8.966253
  H       0.404674      4.965754      7.075209
  H       0.391576      4.791852      8.845867
  H       1.762606      2.145663      5.265229
  H       1.254578      3.821361      5.514878
  H       0.831347      1.425091      7.385331
  H       1.778083      2.892838      7.756786
  H      -2.225686      0.780444      9.294358
  H      -0.883823      0.352615      8.224540
  H      -1.624243      3.099874      9.380724
  H      -0.101573      2.209691      9.641962
  C      -3.817923      5.038024      7.184693
  C      -4.813261      4.184016      6.474340
  C      -5.938553      4.589245      5.864201
  C      -6.742125      3.666279      5.055716
  N      -6.097817      2.636913      4.490087
  C      -6.793579      1.839618      3.641466
  N      -8.058731      1.959166      3.291502
  C      -8.756831      2.970389      3.886669
  C     -10.131910      3.126511      3.586443
  C     -10.863472      4.121611      4.199313
  C     -10.255313      4.997072      5.131323
  C      -8.913724      4.878682      5.430637
  C      -8.134326      3.870858      4.810353
  C      -0.354093      1.461111      4.045649
  C      -0.658627      0.091961      4.581414
  C      -1.597046     -0.797439      4.188960
  C      -2.616884     -0.687766      3.142933
  N      -2.782673      0.475714      2.505543
  C      -3.796042      0.570286      1.614707
  N      -4.671641     -0.359343      1.283449
  C      -4.504881     -1.576820      1.879614
  C      -5.401212     -2.621672      1.546125
  C      -5.251297     -3.869181      2.112157
  C      -4.201396     -4.117758      3.027060
  C      -3.323433     -3.113333      3.382225
  C      -3.455555     -1.813735      2.828821
  C      -3.543037      0.494634      7.084650
  C      -4.687364      0.834014      7.997536
  C      -6.004836      0.629965      7.795508
  C      -6.610446     -0.064696      6.662856
  N      -5.835089     -0.878219      5.938560
  C      -6.420045     -1.554708      4.920490
  N      -7.691350     -1.542305      4.566128
  C      -8.505003     -0.705724      5.276224
  C      -9.874810     -0.622306      4.926070
  C     -10.708290      0.245918      5.597487
  C     -10.207826      1.065416      6.636309
  C      -8.880397      0.996302      7.006060
  C      -8.000821      0.099273      6.348523
  H      -3.931916      6.096437      6.887344
  H      -4.031963      4.994585      8.274798
  H      -4.613461      3.109367      6.454720
  H      -6.242477      5.638655      5.894763
  H      -6.225845      1.023765      3.183954
  H     -10.582214      2.433618      2.875002
  H     -11.924161      4.236908      3.970334
  H     -10.854503      5.771447      5.612363
  H      -8.454295      5.551835      6.155375
  H       0.641748      1.445669      3.567804
  H      -1.092450      1.740742      3.287802
  H      -0.020316     -0.215944      5.417711
  H      -1.617818     -1.731803      4.750303
  H      -3.906730      1.543744      1.125891
  H      -6.198303     -2.401926      0.835326
  H      -5.944157     -4.671997      1.856330
  H      -4.087497     -5.113183      3.458406
  H      -2.521403     -3.338323      4.084484
  H      -3.194645     -0.540748      7.262449
  H      -3.867275      0.510858      6.036699
  H      -4.403653      1.359962      8.915085
  H      -6.689804      1.016835      8.551240
  H      -5.751017     -2.197205      4.341512
  H     -10.231682     -1.247196      4.106769
  H     -11.761239      0.315280      5.319821
  H     -10.876940      1.763326      7.141574
  H      -8.508775      1.645444      7.799016
  N      -3.139305      2.827405      4.547926
  H      -4.155325      2.591433      4.492878
  H      -2.814503      3.117561      3.619801
92
Coordinates from ORCA-job orca E -6200.557085776933
  N      -2.424939      4.610975      6.991630
  Mo     -1.990976      2.889913      6.088638
  N      -2.437890      1.429547      7.283821
  C      -1.616031      1.148321      8.460271
  C      -0.902114      2.415240      8.910496
  N      -0.357554      3.117523      7.722370
  C      -0.181391      4.574153      7.929899
  C      -1.543100      5.238554      7.967140
  C       0.887356      2.493936      7.212696
  C       0.970501      2.767339      5.717427
  N      -0.339668      2.486974      5.124693
  H      -1.433797      6.320281      7.768151
  H      -1.992617      5.156998      8.977017
  H       0.399621      4.955407      7.079591
  H       0.392546      4.777777      8.850001
  H       1.748104      2.134592      5.263882
  H       1.259233      3.814140      5.522900
  H       0.813382      1.410710      7.376874
  H       1.769063      2.869959      7.759650
  H      -2.237571      0.773075      9.290990
  H      -0.896087      0.341245      8.222890
  H      -1.626880      3.087806      9.387403
  H      -0.105122      2.194129      9.640847
  C      -3.819578      5.043332      7.187743
  C      -4.813773      4.180119      6.486090
  C      -5.924426      4.586717      5.850338
  C      -6.733993      3.659100      5.053627
  N      -6.096825      2.616207      4.505178
  C      -6.795753      1.813598      3.663946
  N      -8.057874      1.940164      3.306356
  C      -8.749906      2.964785      3.885654
  C     -10.122571      3.128163      3.578686
  C     -10.848108      4.136785      4.176687
  C     -10.236027      5.019275      5.099369
  C      -8.896339      4.894008      5.404679
  C      -8.123409      3.872063      4.800008
  C      -0.365789      1.491715      4.027551
  C      -0.634755      0.107776      4.545978
  C      -1.566018     -0.791127      4.156733
  C      -2.602812     -0.680911      3.127741
  N      -2.774779      0.482573      2.492075
  C      -3.794291      0.577435      1.608707
  N      -4.667271     -0.354514      1.277556
  C      -4.495332     -1.572405      1.871489
  C      -5.386077     -2.620474      1.533209
  C      -5.232531     -3.868544      2.097022
  C      -4.186581     -4.113278      3.017224
  C      -3.313358     -3.105962      3.376372
  C      -3.445578     -1.806918      2.821175
  C      -3.554614      0.497850      7.084063
  C      -4.694057      0.845490      8.000591
  C      -6.012457      0.640252      7.807132
  C      -6.621345     -0.067625      6.684967
  N      -5.848044     -0.892150      5.971157
  C      -6.434905     -1.581377      4.963211
  N      -7.706409     -1.570432      4.608815
  C      -8.517833     -0.722280      5.307661
  C      -9.887219     -0.638826      4.955781
  C     -10.717941      0.241156      5.615286
  C     -10.215238      1.072306      6.643719
  C      -8.888266      1.003414      7.015191
  C      -8.011467      0.095163      6.369568
  H      -3.934675      6.098248      6.878884
  H      -4.032964      5.010158      8.278162
  H      -4.625693      3.103405      6.506590
  H      -6.209806      5.641838      5.850204
  H      -6.232917      0.986905      3.219909
  H     -10.576166      2.429776      2.874743
  H     -11.907131      4.257578      3.942897
  H     -10.830679      5.804360      5.568529
  H      -8.433378      5.572157      6.122566
  H       0.620476      1.504669      3.529892
  H      -1.125030      1.767182      3.289406
  H       0.024083     -0.202684      5.365357
  H      -1.560994     -1.734481      4.703043
  H      -3.910550      1.552216      1.123855
  H      -6.182260     -2.402663      0.820809
  H      -5.920828     -4.673926      1.836987
  H      -4.071401     -5.108233      3.449329
  H      -2.514570     -3.329116      4.082782
  H      -3.211833     -0.539346      7.261465
  H      -3.881671      0.515963      6.036916
  H      -4.405147      1.379523      8.911803
  H      -6.694292      1.034657      8.561881
  H      -5.768361     -2.234142      4.393197
  H     -10.245993     -1.273039      4.144517
  H     -11.770471      0.310643      5.336065
  H     -10.882239      1.779015      7.139496
  H      -8.514559      1.661473      7.799836
  N      -3.154144      2.831778      4.556063
  H      -4.169739      2.588408      4.508550
  H      -2.843201      3.140025      3.628915
92
Coordinates from ORCA-job orca E -6200.557696841664
  N      -2.425902      4.610921      7.002190
  Mo     -1.994152      2.896070      6.085488
  N      -2.440987      1.420220      7.263648
  C      -1.623316      1.126617      8.440046
  C      -0.909983      2.388537      8.904466
  N      -0.364821      3.102869      7.723564
  C      -0.185882      4.557283      7.945525
  C      -1.546516      5.223055      7.989535
  C       0.879455      2.481123      7.209222
  C       0.969903      2.772400      5.718498
  N      -0.340724      2.512578      5.117279
  H      -1.434636      6.307488      7.806967
  H      -1.999319      5.127259      8.996727
  H       0.395572      4.945623      7.098706
  H       0.389012      4.750796      8.867255
  H       1.742791      2.137107      5.260190
  H       1.270324      3.818286      5.536051
  H       0.799374      1.396255      7.358794
  H       1.760644      2.845780      7.764712
  H      -2.248452      0.744698      9.265107
  H      -0.904272      0.320345      8.197342
  H      -1.634631      3.056009      9.388684
  H      -0.112532      2.160116      9.632113
  C      -3.820696      5.045393      7.193038
  C      -4.812838      4.176960      6.494050
  C      -5.906365      4.585543      5.830715
  C      -6.723698      3.653064      5.046561
  N      -6.096059      2.596171      4.515474
  C      -6.802033      1.786961      3.685534
  N      -8.062695      1.919715      3.325355
  C      -8.745692      2.958771      3.889136
  C     -10.117395      3.128697      3.581040
  C     -10.834315      4.151133      4.165806
  C     -10.214484      5.041816      5.075617
  C      -8.875344      4.910625      5.381170
  C      -8.111325      3.874240      4.789925
  C      -0.367895      1.539083      4.001510
  C      -0.595527      0.140581      4.501251
  C      -1.521248     -0.768201      4.122288
  C      -2.585693     -0.660644      3.121251
  N      -2.772730      0.498701      2.482780
  C      -3.813753      0.589222      1.623893
  N      -4.693546     -0.345086      1.317796
  C      -4.508781     -1.558602      1.917037
  C      -5.406559     -2.609032      1.605105
  C      -5.241690     -3.852943      2.174931
  C      -4.177463     -4.090747      3.076019
  C      -3.296422     -3.081161      3.408794
  C      -3.438562     -1.786850      2.845014
  C      -3.560135      0.491647      7.055713
  C      -4.697608      0.833145      7.977358
  C      -6.016407      0.622754      7.791203
  C      -6.628832     -0.088691      6.672962
  N      -5.859464     -0.919515      5.962371
  C      -6.450567     -1.612102      4.958775
  N      -7.722500     -1.596391      4.604863
  C      -8.529141     -0.740769      5.299948
  C      -9.898019     -0.650256      4.947044
  C     -10.723234      0.238478      5.601639
  C     -10.215824      1.071358      6.626598
  C      -8.889605      0.995599      6.999304
  C      -8.018411      0.078607      6.358233
  H      -3.935670      6.098514      6.878079
  H      -4.036348      5.016876      8.282944
  H      -4.636254      3.098296      6.551043
  H      -6.172427      5.645407      5.802311
  H      -6.247267      0.947374      3.256592
  H     -10.577397      2.423843      2.887690
  H     -11.892759      4.276821      3.931712
  H     -10.802863      5.837784      5.534331
  H      -8.405930      5.594776      6.089191
  H       0.606650      1.585326      3.482915
  H      -1.149324      1.809702      3.285314
  H       0.088430     -0.171043      5.299482
  H      -1.486080     -1.719022      4.654534
  H      -3.940682      1.561160      1.135852
  H      -6.217402     -2.396295      0.907775
  H      -5.934774     -4.660378      1.934469
  H      -4.054388     -5.082037      3.514446
  H      -2.484190     -3.299314      4.101476
  H      -3.218472     -0.547495      7.222460
  H      -3.887882      0.519954      6.008705
  H      -4.406841      1.369671      8.886525
  H      -6.695566      1.016969      8.548525
  H      -5.787154     -2.271021      4.391596
  H     -10.260643     -1.285967      4.138599
  H     -11.775161      0.313702      5.321365
  H     -10.878546      1.784959      7.118328
  H      -8.511976      1.655454      7.780610
  N      -3.159644      2.845917      4.557639
  H      -4.172397      2.588673      4.512652
  H      -2.861055      3.176250      3.633884
92
Coordinates from ORCA-job orca E -6200.558211926914
  N      -2.428441      4.610708      7.009780
  Mo     -2.002756      2.897791      6.087994
  N      -2.447982      1.415939      7.257747
  C      -1.632436      1.116260      8.433971
  C      -0.916629      2.374632      8.903814
  N      -0.372159      3.092384      7.725154
  C      -0.188853      4.545259      7.952118
  C      -1.547830      5.214093      8.001487
  C       0.869561      2.468536      7.207877
  C       0.962798      2.767495      5.719244
  N      -0.349476      2.523348      5.114657
  H      -1.433427      6.299469      7.826688
  H      -2.000892      5.111688      9.007832
  H       0.390759      4.935245      7.104779
  H       0.388961      4.734406      8.872910
  H       1.729945      2.127409      5.257954
  H       1.273254      3.811431      5.542160
  H       0.784200      1.383031      7.350181
  H       1.751940      2.825713      7.766173
  H      -2.260079      0.733341      9.256606
  H      -0.915573      0.308904      8.189042
  H      -1.640085      3.040311      9.392213
  H      -0.118505      2.141890      9.629288
  C      -3.821261      5.052000      7.195528
  C      -4.813573      4.175716      6.506655
  C      -5.890655      4.584222      5.816701
  C      -6.715929      3.649016      5.045072
  N      -6.098003      2.578544      4.530403
  C      -6.810230      1.764983      3.709981
  N      -8.067923      1.906516      3.343491
  C      -8.741942      2.959937      3.891378
  C     -10.111128      3.139157      3.578203
  C     -10.819193      4.176001      4.148441
  C     -10.192493      5.072415      5.047645
  C      -8.855250      4.932064      5.357710
  C      -8.100573      3.880545      4.781736
  C      -0.374857      1.568573      3.983232
  C      -0.569992      0.158923      4.464617
  C      -1.488454     -0.758109      4.087961
  C      -2.568615     -0.651509      3.104454
  N      -2.762550      0.507056      2.466439
  C      -3.812479      0.596901      1.618846
  N      -4.692513     -0.339128      1.319055
  C      -4.501927     -1.551969      1.918076
  C      -5.398300     -2.604603      1.609735
  C      -5.229228     -3.847612      2.180272
  C      -4.163709     -4.081234      3.080721
  C      -3.283495     -3.069551      3.409450
  C      -3.426850     -1.777237      2.841224
  C      -3.572458      0.492862      7.052788
  C      -4.706308      0.841969      7.976206
  C      -6.025335      0.628372      7.796905
  C      -6.638585     -0.096012      6.687905
  N      -5.869400     -0.935513      5.987280
  C      -6.460904     -1.640796      4.992954
  N      -7.733082     -1.629942      4.639741
  C      -8.539392     -0.765371      5.324032
  C      -9.907825     -0.677576      4.968962
  C     -10.732096      0.221420      5.610684
  C     -10.224175      1.066971      6.624871
  C      -8.898445      0.993816      6.999907
  C      -8.028154      0.067365      6.371557
  H      -3.934972      6.101520      6.868561
  H      -4.036974      5.035121      8.285492
  H      -4.650296      3.097339      6.604851
  H      -6.136266      5.647797      5.757289
  H      -6.262737      0.914329      3.294108
  H     -10.576741      2.429817      2.893315
  H     -11.875907      4.308834      3.910759
  H     -10.774025      5.879899      5.494694
  H      -8.379976      5.620418      6.057731
  H       0.590873      1.642177      3.451473
  H      -1.170886      1.835334      3.282026
  H       0.131451     -0.153149      5.247342
  H      -1.429921     -1.716142      4.604779
  H      -3.946006      1.569431      1.133744
  H      -6.211628     -2.394219      0.914665
  H      -5.920791     -4.656956      1.942114
  H      -4.038971     -5.070943      3.522151
  H      -2.471038     -3.284643      4.102560
  H      -3.235789     -0.547693      7.219969
  H      -3.901987      0.521490      6.006410
  H      -4.412216      1.387739      8.878714
  H      -6.703026      1.029192      8.552051
  H      -5.797956     -2.307500      4.434616
  H     -10.270744     -1.323412      4.168782
  H     -11.783587      0.294756      5.328484
  H     -10.886060      1.788114      7.106522
  H      -8.520514      1.663523      7.772604
  N      -3.173771      2.849486      4.564880
  H      -4.183081      2.575287      4.526345
  H      -2.891086      3.198149      3.642742
92
Coordinates from ORCA-job orca E -6200.558611045994
  N      -2.430337      4.609669      7.018245
  Mo     -2.008432      2.899410      6.090615
  N      -2.454761      1.408881      7.249358
  C      -1.640795      1.103808      8.426116
  C      -0.925479      2.359534      8.903578
  N      -0.379513      3.082233      7.728815
  C      -0.193076      4.533702      7.962569
  C      -1.550759      5.204751      8.015696
  C       0.861572      2.457358      7.210702
  C       0.959519      2.763219      5.724268
  N      -0.353595      2.532681      5.115767
  H      -1.434185      6.291111      7.848744
  H      -2.005355      5.095660      9.020609
  H       0.386171      4.926141      7.116071
  H       0.386197      4.717390      8.883528
  H       1.721773      2.118573      5.261050
  H       1.279327      3.805230      5.551879
  H       0.771856      1.371365      7.346847
  H       1.743352      2.808545      7.773674
  H      -2.270760      0.717703      9.245394
  H      -0.924288      0.297107      8.178403
  H      -1.649204      3.022802      9.394864
  H      -0.127746      2.123062      9.628288
  C      -3.821864      5.058636      7.193959
  C      -4.813977      4.174257      6.514614
  C      -5.872583      4.578790      5.794536
  C      -6.703602      3.637833      5.036340
  N      -6.093182      2.553837      4.542017
  C      -6.810084      1.732615      3.732806
  N      -8.065400      1.878665      3.360427
  C      -8.732297      2.946654      3.888841
  C     -10.099156      3.131884      3.569217
  C     -10.799721      4.184296      4.119985
  C     -10.167502      5.090999      5.004941
  C      -8.832248      4.944597      5.320871
  C      -8.085434      3.876824      4.764961
  C      -0.376632      1.600431      3.965889
  C      -0.541390      0.179502      4.423159
  C      -1.454742     -0.742959      4.047208
  C      -2.553464     -0.633549      3.084916
  N      -2.753659      0.524629      2.448027
  C      -3.816387      0.616452      1.616705
  N      -4.701030     -0.318784      1.328261
  C      -4.505198     -1.531192      1.926638
  C      -5.405391     -2.583398      1.627827
  C      -5.232824     -3.825646      2.198877
  C      -4.161488     -4.057997      3.092796
  C      -3.277164     -3.046782      3.411899
  C      -3.421052     -1.756391      2.839156
  C      -3.582368      0.488669      7.047125
  C      -4.711626      0.839691      7.975484
  C      -6.031148      0.621798      7.805566
  C      -6.648305     -0.110792      6.704117
  N      -5.881770     -0.956187      6.007849
  C      -6.476967     -1.668787      5.020643
  N      -7.749725     -1.657844      4.669716
  C      -8.552760     -0.785744      5.348269
  C      -9.921102     -0.695767      4.993351
  C     -10.741399      0.212168      5.627556
  C     -10.229618      1.064086      6.634508
  C      -8.904185      0.988186      7.010154
  C      -8.037981      0.053188      6.388989
  H      -3.932565      6.104033      6.853080
  H      -4.040528      5.055426      8.283345
  H      -4.666439      3.098153      6.655070
  H      -6.097812      5.644596      5.701099
  H      -6.268633      0.870086      3.333724
  H     -10.569288      2.414882      2.895450
  H     -11.854788      4.321850      3.877662
  H     -10.743350      5.910917      5.436464
  H      -8.352407      5.640666      6.010129
  H       0.580769      1.702204      3.423522
  H      -1.185509      1.866726      3.279608
  H       0.177213     -0.135996      5.188683
  H      -1.373721     -1.709192      4.545407
  H      -3.955289      1.589275      1.133680
  H      -6.224526     -2.373212      0.939516
  H      -5.926901     -4.634869      1.967697
  H      -4.035734     -5.046313      3.537086
  H      -2.461470     -3.260711      4.101537
  H      -3.247260     -0.552637      7.211931
  H      -3.914985      0.518855      6.001714
  H      -4.413372      1.392168      8.872596
  H      -6.705648      1.026081      8.561740
  H      -5.815970     -2.340420      4.466088
  H     -10.286891     -1.346763      4.198651
  H     -11.792637      0.287764      5.344955
  H     -10.888307      1.792121      7.110182
  H      -8.523358      1.662965      7.777037
  N      -3.180740      2.853066      4.570033
  H      -4.188247      2.571076      4.536981
  H      -2.912277      3.223964      3.652309
92
Coordinates from ORCA-job orca E -6200.558893647340
  N      -2.434524      4.606273      7.024243
  Mo     -2.013435      2.897755      6.093163
  N      -2.461378      1.400925      7.242921
  C      -1.648217      1.092728      8.420353
  C      -0.934444      2.347049      8.903093
  N      -0.386979      3.073618      7.731286
  C      -0.199291      4.523907      7.970850
  C      -1.556169      5.195692      8.026036
  C       0.854868      2.449778      7.213257
  C       0.956125      2.759453      5.728351
  N      -0.357250      2.536599      5.117149
  H      -1.438502      6.282725      7.864453
  H      -2.012141      5.081878      9.029764
  H       0.379990      4.919004      7.125536
  H       0.380205      4.703373      8.892472
  H       1.715466      2.111670      5.264667
  H       1.281543      3.800234      5.558483
  H       0.764057      1.363481      7.345930
  H       1.735324      2.798699      7.779611
  H      -2.279512      0.703462      9.237001
  H      -0.931024      0.287489      8.170572
  H      -1.659718      3.008190      9.394968
  H      -0.137669      2.109195      9.628392
  C      -3.823196      5.065418      7.191788
  C      -4.818248      4.175797      6.524656
  C      -5.860109      4.576146      5.778147
  C      -6.699120      3.631838      5.033311
  N      -6.098460      2.534977      4.556217
  C      -6.822409      1.708498      3.758367
  N      -8.075716      1.861010      3.382450
  C      -8.732985      2.943587      3.893523
  C     -10.097570      3.137098      3.569481
  C     -10.787887      4.205512      4.102174
  C     -10.147307      5.120219      4.972739
  C      -8.814161      4.964986      5.293256
  C      -8.077938      3.880545      4.755885
  C      -0.376260      1.626855      3.949468
  C      -0.512004      0.196440      4.383761
  C      -1.419351     -0.731853      4.007693
  C      -2.533929     -0.621192      3.064200
  N      -2.739315      0.535595      2.426062
  C      -3.812427      0.627223      1.608223
  N      -4.700067     -0.308284      1.330177
  C      -4.499581     -1.519293      1.929945
  C      -5.401373     -2.572546      1.639666
  C      -5.224991     -3.813170      2.213039
  C      -4.149737     -4.041814      3.103214
  C      -3.263708     -3.029463      3.413811
  C      -3.408618     -1.742042      2.834878
  C      -3.591229      0.483037      7.043450
  C      -4.717078      0.835583      7.975493
  C      -6.036939      0.614977      7.812471
  C      -6.657207     -0.123361      6.716643
  N      -5.893532     -0.975655      6.025797
  C      -6.492178     -1.695003      5.045282
  N      -7.765422     -1.684434      4.696823
  C      -8.565296     -0.804477      5.369020
  C      -9.933401     -0.712511      5.013995
  C     -10.749684      0.205037      5.639570
  C     -10.233997      1.064208      6.638283
  C      -8.908876      0.985850      7.014696
  C      -8.046802      0.041747      6.401852
  H      -3.928810      6.106577      6.836710
  H      -4.042531      5.077499      8.280840
  H      -4.687244      3.102082      6.700602
  H      -6.066533      5.642877      5.654471
  H      -6.288318      0.835377      3.372501
  H     -10.574340      2.414155      2.906803
  H     -11.841243      4.349840      3.856374
  H     -10.715160      5.953075      5.389838
  H      -8.327737      5.667118      5.971727
  H       0.573274      1.755710      3.398911
  H      -1.196608      1.892279      3.276876
  H       0.222230     -0.120632      5.133505
  H      -1.318096     -1.704803      4.488932
  H      -3.956013      1.599345      1.125097
  H      -6.224702     -2.364432      0.955725
  H      -5.919855     -4.623464      1.988052
  H      -4.022522     -5.028092      3.551632
  H      -2.446295     -3.239826      4.102343
  H      -3.257590     -0.559033      7.206336
  H      -3.926158      0.514115      5.998795
  H      -4.415485      1.392862      8.868526
  H      -6.709034      1.021503      8.569635
  H      -5.833609     -2.372891      4.495713
  H     -10.302050     -1.369465      4.225526
  H     -11.800660      0.282476      5.356482
  H     -10.889407      1.799560      7.107210
  H      -8.525023      1.666380      7.774993
  N      -3.189771      2.847883      4.577112
  H      -4.188164      2.533062      4.546699
  H      -2.937381      3.232158      3.660229
92
Coordinates from ORCA-job orca E -6200.559082710461
  N      -2.437448      4.600269      7.030464
  Mo     -2.017771      2.895539      6.095156
  N      -2.469139      1.392745      7.235066
  C      -1.655235      1.081477      8.412429
  C      -0.942404      2.332958      8.901354
  N      -0.391077      3.064029      7.734124
  C      -0.203360      4.513450      7.979542
  C      -1.559940      5.186368      8.035085
  C       0.851539      2.442745      7.215805
  C       0.953952      2.755853      5.731927
  N      -0.359381      2.537469      5.118977
  H      -1.441708      6.273736      7.876518
  H      -2.017568      5.069620      9.037691
  H       0.376267      4.910973      7.135523
  H       0.375582      4.689889      8.902078
  H       1.710984      2.105745      5.267636
  H       1.283211      3.795848      5.563989
  H       0.762270      1.356024      7.345925
  H       1.730920      2.791555      7.783817
  H      -2.286789      0.687796      9.226568
  H      -0.936627      0.278724      8.159370
  H      -1.668557      2.992370      9.394240
  H      -0.148049      2.090757      9.627918
  C      -3.824067      5.069922      7.186868
  C      -4.821928      4.173877      6.531997
  C      -5.847212      4.568199      5.759798
  C      -6.691720      3.620961      5.024901
  N      -6.099356      2.513354      4.562432
  C      -6.829428      1.684035      3.772632
  N      -8.080779      1.842576      3.392951
  C      -8.729422      2.937300      3.888990
  C     -10.091588      3.138806      3.559784
  C     -10.772602      4.221378      4.075745
  C     -10.124791      5.142328      4.934353
  C      -8.794056      4.978315      5.260562
  C      -8.067377      3.879057      4.740346
  C      -0.369817      1.648511      3.935652
  C      -0.479015      0.209741      4.346855
  C      -1.381240     -0.722536      3.968773
  C      -2.509892     -0.606198      3.043154
  N      -2.714093      0.549838      2.402893
  C      -3.797819      0.647228      1.599831
  N      -4.694773     -0.283227      1.334642
  C      -4.495942     -1.493638      1.936386
  C      -5.406547     -2.542527      1.657929
  C      -5.233046     -3.781888      2.234989
  C      -4.153383     -4.012734      3.119407
  C      -3.258607     -3.004554      3.418288
  C      -3.397921     -1.719962      2.831955
  C      -3.600665      0.475627      7.040484
  C      -4.723858      0.831060      7.975014
  C      -6.043916      0.607539      7.818795
  C      -6.667902     -0.138520      6.730277
  N      -5.906535     -0.996233      6.043955
  C      -6.509180     -1.724542      5.072249
  N      -7.783875     -1.717790      4.729328
  C      -8.581165     -0.831124      5.395907
  C      -9.950058     -0.740592      5.043767
  C     -10.762958      0.185210      5.661712
  C     -10.243012      1.053574      6.650265
  C      -8.917223      0.975995      7.024664
  C      -8.058474      0.024354      6.418920
  H      -3.923919      6.105922      6.815507
  H      -4.045711      5.099579      8.274996
  H      -4.708312      3.104916      6.742119
  H      -6.035517      5.634692      5.606738
  H      -6.302086      0.802437      3.397517
  H     -10.573980      2.411357      2.906199
  H     -11.823973      4.372349      3.825504
  H     -10.685090      5.986924      5.337830
  H      -8.302141      5.685279      5.930024
  H       0.574572      1.802666      3.382430
  H      -1.197533      1.911864      3.271614
  H       0.269579     -0.109707      5.081131
  H      -1.263977     -1.702035      4.432918
  H      -3.941204      1.619389      1.116444
  H      -6.234222     -2.332133      0.979941
  H      -5.934307     -4.589020      2.018676
  H      -4.029942     -4.997227      3.572778
  H      -2.439424     -3.215062      4.104611
  H      -3.267130     -0.566215      7.204855
  H      -3.937983      0.503930      5.996370
  H      -4.419328      1.392901      8.864167
  H      -6.713589      1.016844      8.576729
  H      -5.852751     -2.407447      4.526382
  H     -10.321772     -1.404912      4.262956
  H     -11.814426      0.261968      5.380314
  H     -10.895714      1.795024      7.113310
  H      -8.530200      1.663241      7.777266
  N      -3.195469      2.845356      4.580561
  H      -4.198377      2.546276      4.560118
  H      -2.956120      3.255747      3.671600
92
Coordinates from ORCA-job orca E -6200.559227520190
  N      -2.442953      4.594294      7.035166
  Mo     -2.018582      2.890514      6.100350
  N      -2.472621      1.383472      7.235256
  C      -1.657806      1.072510      8.413087
  C      -0.949928      2.325789      8.905458
  N      -0.396294      3.058939      7.740416
  C      -0.210553      4.508494      7.988918
  C      -1.567883      5.180051      8.042487
  C       0.849268      2.439933      7.225623
  C       0.954874      2.752939      5.741985
  N      -0.357831      2.534972      5.127195
  H      -1.450320      6.267663      7.884961
  H      -2.027293      5.062456      9.044144
  H       0.370976      4.907884      7.147027
  H       0.366192      4.682970      8.913180
  H       1.711941      2.101451      5.279454
  H       1.285947      3.792380      5.573665
  H       0.762056      1.353126      7.356437
  H       1.725760      2.791076      7.796640
  H      -2.288604      0.674988      9.225932
  H      -0.936359      0.272527      8.159224
  H      -1.679254      2.983856      9.395558
  H      -0.157240      2.085894      9.634602
  C      -3.827545      5.075591      7.179689
  C      -4.830058      4.175078      6.538301
  C      -5.839853      4.561266      5.742080
  C      -6.688032      3.607792      5.019182
  N      -6.100969      2.488904      4.577988
  C      -6.834179      1.650744      3.800100
  N      -8.084238      1.809212      3.416653
  C      -8.727613      2.916395      3.892051
  C     -10.087870      3.120117      3.556299
  C     -10.762413      4.217439      4.049120
  C     -10.109931      5.151062      4.890425
  C      -8.781216      4.984287      5.223229
  C      -8.061104      3.870013      4.726360
  C      -0.363520      1.668697      3.927014
  C      -0.455523      0.221190      4.311666
  C      -1.354400     -0.712277      3.927521
  C      -2.492809     -0.590391      3.014320
  N      -2.694186      0.563890      2.369808
  C      -3.783464      0.664426      1.574440
  N      -4.687040     -0.262068      1.318510
  C      -4.492083     -1.470564      1.925150
  C      -5.408322     -2.516423      1.653777
  C      -5.238545     -3.754332      2.234908
  C      -4.158206     -3.986104      3.118199
  C      -3.257859     -2.980897      3.410237
  C      -3.391330     -1.698598      2.817027
  C      -3.604270      0.466689      7.042061
  C      -4.723585      0.820234      7.982080
  C      -6.044449      0.596823      7.833358
  C      -6.675288     -0.151043      6.749837
  N      -5.920627     -1.016851      6.066354
  C      -6.530759     -1.748171      5.101193
  N      -7.805958     -1.734391      4.760673
  C      -8.595633     -0.837417      5.422678
  C      -9.964589     -0.739408      5.072992
  C     -10.769412      0.196315      5.686659
  C     -10.241119      1.067213      6.668521
  C      -8.915269      0.981955      7.041116
  C      -8.065133      0.019868      6.440012
  H      -3.919382      6.105753      6.790383
  H      -4.051191      5.125440      8.266511
  H      -4.733303      3.109173      6.776192
  H      -6.013643      5.626002      5.560559
  H      -6.311396      0.759040      3.442402
  H     -10.573898      2.383201      2.916090
  H     -11.812272      4.370547      3.793765
  H     -10.665198      6.007474      5.275598
  H      -8.285981      5.700872      5.879922
  H       0.576191      1.843866      3.372008
  H      -1.197976      1.936031      3.273323
  H       0.302588     -0.104701      5.033156
  H      -1.225352     -1.697684      4.375614
  H      -3.923698      1.634795      1.086637
  H      -6.236996     -2.305038      0.977248
  H      -5.943646     -4.559410      2.023295
  H      -4.038423     -4.969117      3.575826
  H      -2.438725     -3.192358      4.096336
  H      -3.270093     -0.575400      7.203600
  H      -3.944931      0.496700      5.999083
  H      -4.414595      1.382064      8.869741
  H      -6.709785      1.007094      8.594720
  H      -5.880370     -2.438908      4.557879
  H     -10.342874     -1.406060      4.297291
  H     -11.820881      0.278952      5.406826
  H     -10.887402      1.816597      7.127869
  H      -8.521114      1.671140      7.788316
  N      -3.199343      2.831268      4.589841
  H      -4.194521      2.507133      4.572893
  H      -2.972495      3.244651      3.678980
92
Coordinates from ORCA-job orca E -6200.559298648795
  N      -2.450804      4.583928      7.036108
  Mo     -2.019509      2.882729      6.101316
  N      -2.473810      1.373675      7.233833
  C      -1.657048      1.063266      8.410584
  C      -0.953311      2.317372      8.905277
  N      -0.398633      3.053782      7.742477
  C      -0.218471      4.503599      7.993810
  C      -1.577697      5.171628      8.044654
  C       0.849941      2.440635      7.228813
  C       0.955126      2.753766      5.745239
  N      -0.356412      2.531060      5.129740
  H      -1.462594      6.259429      7.886758
  H      -2.038628      5.053490      9.045507
  H       0.364309      4.906069      7.154246
  H       0.354992      4.678382      8.920042
  H       1.714503      2.104042      5.283902
  H       1.283496      3.794071      5.576612
  H       0.768402      1.353502      7.360061
  H       1.724532      2.796419      7.799824
  H      -2.285492      0.661322      9.223094
  H      -0.932377      0.266861      8.154797
  H      -1.685447      2.973309      9.394031
  H      -0.162192      2.078254      9.636408
  C      -3.833859      5.072555      7.174769
  C      -4.841088      4.170222      6.543648
  C      -5.840925      4.553075      5.733406
  C      -6.692576      3.598502      5.015447
  N      -6.111516      2.472713      4.584029
  C      -6.848572      1.634249      3.809935
  N      -8.096227      1.798645      3.421485
  C      -8.733206      2.913980      3.886201
  C     -10.091381      3.123998      3.545921
  C     -10.759358      4.230057      4.027958
  C     -10.102202      5.166202      4.862789
  C      -8.775737      4.992508      5.200835
  C      -8.062451      3.868794      4.715469
  C      -0.354510      1.678497      3.920390
  C      -0.431137      0.226368      4.290407
  C      -1.326693     -0.708298      3.902664
  C      -2.468973     -0.580359      2.995429
  N      -2.660797      0.571444      2.343560
  C      -3.751548      0.677475      1.551027
  N      -4.664970     -0.241836      1.304217
  C      -4.480137     -1.447995      1.918858
  C      -5.406670     -2.487209      1.657097
  C      -5.246348     -3.722850      2.245735
  C      -4.166164     -3.958528      3.128186
  C      -3.256418     -2.959408      3.411640
  C      -3.379217     -1.680482      2.809274
  C      -3.605624      0.456334      7.043373
  C      -4.722698      0.811609      7.985669
  C      -6.044104      0.589594      7.841200
  C      -6.679876     -0.161372      6.762605
  N      -5.929943     -1.033947      6.082573
  C      -6.546041     -1.770578      5.125264
  N      -7.822728     -1.756561      4.790348
  C      -8.607322     -0.852266      5.448314
  C      -9.976886     -0.751503      5.101953
  C     -10.775750      0.193172      5.709718
  C     -10.240733      1.070609      6.682004
  C      -8.914144      0.982948      7.051343
  C      -8.070026      0.012058      6.456010
  H      -3.920333      6.098173      6.772653
  H      -4.056352      5.137119      8.260868
  H      -4.755701      3.106356      6.794947
  H      -6.004557      5.616629      5.535625
  H      -6.331050      0.736662      3.459657
  H     -10.581028      2.385084      2.910806
  H     -11.807475      4.388356      3.768697
  H     -10.652054      6.030015      5.239065
  H      -8.277204      5.710896      5.853057
  H       0.582475      1.869074      3.365989
  H      -1.192768      1.943248      3.270575
  H       0.334126     -0.101628      5.003355
  H      -1.190895     -1.697611      4.339964
  H      -3.882476      1.645298      1.055422
  H      -6.235041     -2.272970      0.981093
  H      -5.959070     -4.522944      2.040868
  H      -4.054420     -4.939335      3.592536
  H      -2.438811     -3.172477      4.099103
  H      -3.271091     -0.585438      7.206170
  H      -3.948833      0.484702      6.001011
  H      -4.410705      1.373648      8.872118
  H      -6.706599      1.001861      8.604043
  H      -5.900672     -2.468007      4.584680
  H     -10.360436     -1.423214      4.333242
  H     -11.827743      0.277606      5.432433
  H     -10.882395      1.826820      7.136615
  H      -8.514036      1.677183      7.790640
  N      -3.204218      2.815106      4.594262
  H      -4.196082      2.480728      4.580794
  H      -2.984493      3.229616      3.682085
92
Coordinates from ORCA-job orca E -6200.559341959693
  N      -2.458545      4.574084      7.037058
  Mo     -2.019381      2.874385      6.103856
  N      -2.472380      1.363373      7.236129
  C      -1.653494      1.053802      8.411427
  C      -0.954467      2.309748      8.908433
  N      -0.400091      3.048811      7.747281
  C      -0.226262      4.499191      8.000161
  C      -1.588123      5.162889      8.048163
  C       0.850993      2.439986      7.234846
  C       0.956999      2.754190      5.751437
  N      -0.353643      2.528906      5.135075
  H      -1.475662      6.251047      7.890954
  H      -2.050962      5.043308      9.047899
  H       0.357834      4.904549      7.162923
  H       0.343749      4.674995      8.928343
  H       1.718464      2.106422      5.290673
  H       1.283566      3.795201      5.583495
  H       0.772847      1.352612      7.365867
  H       1.724063      2.798319      7.806592
  H      -2.279133      0.647710      9.224093
  H      -0.925659      0.260751      8.154035
  H      -1.689073      2.963471      9.396461
  H      -0.163939      2.072097      9.640730
  C      -3.841349      5.068139      7.169955
  C      -4.851771      4.164348      6.545919
  C      -5.842853      4.545384      5.724178
  C      -6.692770      3.587677      5.008074
  N      -6.110819      2.457727      4.588960
  C      -6.845592      1.613422      3.819237
  N      -8.091591      1.775438      3.424943
  C      -8.729312      2.895697      3.876803
  C     -10.085686      3.104299      3.528679
  C     -10.753935      4.216152      3.996738
  C     -10.098836      5.159634      4.824784
  C      -8.774143      4.987359      5.170270
  C      -8.060561      3.857884      4.699122
  C      -0.350035      1.690822      3.916067
  C      -0.417179      0.233783      4.269348
  C      -1.311270     -0.700264      3.876748
  C      -2.460839     -0.565952      2.979549
  N      -2.654034      0.586646      2.329505
  C      -3.750785      0.696537      1.545740
  N      -4.669553     -0.219329      1.306579
  C      -4.483601     -1.426385      1.918988
  C      -5.414298     -2.463246      1.662868
  C      -5.251196     -3.700539      2.247223
  C      -4.164815     -3.939835      3.120944
  C      -3.251721     -2.942549      3.399887
  C      -3.376363     -1.662733      2.800226
  C      -3.603763      0.444891      7.047973
  C      -4.716896      0.797983      7.995970
  C      -6.039303      0.579517      7.856664
  C      -6.682018     -0.167396      6.779429
  N      -5.939704     -1.047510      6.100704
  C      -6.563450     -1.782768      5.147506
  N      -7.840561     -1.759736      4.814597
  C      -8.616716     -0.846434      5.469994
  C      -9.986112     -0.735981      5.126033
  C     -10.775995      0.217418      5.731877
  C     -10.231999      1.094408      6.699470
  C      -8.905588      0.997145      7.066818
  C      -8.070912      0.016701      6.473985
  H      -3.923034      6.089711      6.756758
  H      -4.063960      5.145298      8.255008
  H      -4.774814      3.100923      6.806146
  H      -5.999278      5.607603      5.513639
  H      -6.327862      0.711821      3.479381
  H     -10.573682      2.359785      2.898873
  H     -11.800727      4.373383      3.731581
  H     -10.648849      6.028095      5.189933
  H      -8.277344      5.711529      5.817385
  H       0.583653      1.893014      3.360377
  H      -1.191896      1.957221      3.271657
  H       0.354712     -0.099966      4.972447
  H      -1.167157     -1.694493      4.299913
  H      -3.882027      1.664670      1.050926
  H      -6.247405     -2.246418      0.993546
  H      -5.966896     -4.498920      2.046107
  H      -4.051057     -4.921783      3.582384
  H      -2.429860     -3.157771      4.081552
  H      -3.267650     -0.596745      7.208332
  H      -3.951519      0.474820      6.007080
  H      -4.400381      1.356873      8.882778
  H      -6.697477      0.991173      8.623658
  H      -5.925141     -2.487068      4.607630
  H     -10.376796     -1.407291      4.360584
  H     -11.827793      0.309287      5.456264
  H     -10.866599      1.857765      7.152029
  H      -8.497427      1.690860      7.802172
  N      -3.207010      2.799018      4.598916
  H      -4.200018      2.468279      4.588449
  H      -2.990097      3.214692      3.686466
92
Coordinates from ORCA-job orca E -6200.559371896131
  N      -2.463402      4.568137      7.032878
  Mo     -2.017277      2.867527      6.104575
  N      -2.466971      1.359594      7.244236
  C      -1.645584      1.054178      8.418259
  C      -0.949928      2.313264      8.912398
  N      -0.397900      3.050753      7.749313
  C      -0.229972      4.502581      7.997735
  C      -1.594337      5.161458      8.043222
  C       0.854830      2.444503      7.238829
  C       0.960053      2.755409      5.754616
  N      -0.349559      2.524143      5.138883
  H      -1.485089      6.249600      7.883530
  H      -2.057164      5.042902      9.043027
  H       0.353947      4.907902      7.160366
  H       0.338053      4.683037      8.926294
  H       1.724020      2.109415      5.295388
  H       1.283171      3.797128      5.584333
  H       0.779921      1.357254      7.372687
  H       1.727080      2.806840      7.809326
  H      -2.268100      0.647573      9.233151
  H      -0.915583      0.262777      8.161582
  H      -1.686107      2.966253      9.399027
  H      -0.158551      2.079467      9.645025
  C      -3.847234      5.062621      7.164226
  C      -4.859667      4.159575      6.541445
  C      -5.851255      4.540294      5.720072
  C      -6.699996      3.580131      5.005239
  N      -6.116584      2.450358      4.587839
  C      -6.850130      1.604417      3.818615
  N      -8.095905      1.764957      3.422888
  C      -8.734853      2.885241      3.872570
  C     -10.091144      3.092213      3.523155
  C     -10.761067      4.203449      3.990273
  C     -10.107700      5.148077      4.818378
  C      -8.782929      4.977748      5.164647
  C      -8.067701      3.848842      4.694715
  C      -0.341360      1.682906      3.921902
  C      -0.414445      0.225408      4.273803
  C      -1.310154     -0.704636      3.874896
  C      -2.453645     -0.562966      2.970734
  N      -2.631658      0.588419      2.314536
  C      -3.722643      0.706041      1.523797
  N      -4.651085     -0.200345      1.286018
  C      -4.481659     -1.406105      1.905808
  C      -5.424209     -2.432892      1.652547
  C      -5.277003     -3.669404      2.242733
  C      -4.195112     -3.917952      3.119379
  C      -3.270992     -2.930285      3.396256
  C      -3.379726     -1.651251      2.791371
  C      -3.597099      0.438513      7.060261
  C      -4.710446      0.793250      8.007519
  C      -6.033059      0.577194      7.866706
  C      -6.675764     -0.168406      6.788485
  N      -5.934658     -1.051850      6.112667
  C      -6.558892     -1.787772      5.160539
  N      -7.835846     -1.762687      4.826160
  C      -8.610441     -0.845831      5.478338
  C      -9.979421     -0.732953      5.133122
  C     -10.767391      0.223898      5.736036
  C     -10.222005      1.102603      6.701357
  C      -8.896046      1.003408      7.069639
  C      -8.063502      0.018929      6.480356
  H      -3.927343      6.082480      6.746567
  H      -4.068875      5.144696      8.248914
  H      -4.785071      3.095288      6.796927
  H      -6.009070      5.602016      5.508510
  H      -6.331755      0.702887      3.480117
  H     -10.577714      2.346711      2.893437
  H     -11.807880      4.359277      3.724424
  H     -10.659027      6.016017      5.182739
  H      -8.287433      5.702954      5.811577
  H       0.595862      1.882038      3.371036
  H      -1.178713      1.949141      3.271625
  H       0.352026     -0.112310      4.980915
  H      -1.173381     -1.699930      4.297860
  H      -3.838833      1.671998      1.020995
  H      -6.253133     -2.209483      0.980216
  H      -6.001788     -4.460004      2.043438
  H      -4.093430     -4.899451      3.584554
  H      -2.453014     -3.152776      4.080257
  H      -3.259052     -0.601829      7.224758
  H      -3.946294      0.464760      6.020023
  H      -4.393995      1.351247      8.894876
  H      -6.691464      0.988990      8.633474
  H      -5.921804     -2.494999      4.622673
  H     -10.371407     -1.405154      4.369150
  H     -11.818790      0.317389      5.459508
  H     -10.855161      1.868802      7.151079
  H      -8.485776      1.698298      7.802673
  N      -3.206699      2.782903      4.601855
  H      -4.202345      2.459794      4.593216
  H      -2.985382      3.186960      3.685155
92
Coordinates from ORCA-job orca E -6200.559392975207
  N      -2.469241      4.560559      7.032311
  Mo     -2.018159      2.862421      6.102250
  N      -2.462813      1.353347      7.242601
  C      -1.640695      1.046760      8.415171
  C      -0.945773      2.305588      8.911088
  N      -0.397017      3.046141      7.748713
  C      -0.234677      4.498051      7.998443
  C      -1.601406      5.152084      8.045299
  C       0.856170      2.444144      7.235653
  C       0.960312      2.759162      5.752167
  N      -0.348997      2.527425      5.136576
  H      -1.495209      6.241094      7.889543
  H      -2.064308      5.028331      9.044393
  H       0.347616      4.906944      7.161685
  H       0.332239      4.680179      8.927427
  H       1.725512      2.116128      5.290993
  H       1.281189      3.802057      5.584720
  H       0.783098      1.356361      7.366151
  H       1.728849      2.805998      7.805846
  H      -2.261793      0.637986      9.230079
  H      -0.909792      0.256772      8.156737
  H      -1.682427      2.955858      9.400573
  H      -0.153134      2.070977      9.642102
  C      -3.853971      5.052584      7.167186
  C      -4.866549      4.152793      6.539757
  C      -5.858382      4.540320      5.721765
  C      -6.705956      3.583527      5.001051
  N      -6.121617      2.455130      4.580745
  C      -6.852861      1.612002      3.806638
  N      -8.097097      1.774627      3.406982
  C      -8.737288      2.893160      3.859166
  C     -10.092900      3.100871      3.507849
  C     -10.765185      4.208485      3.980230
  C     -10.114733      5.148868      4.815298
  C      -8.790415      4.978126      5.163183
  C      -8.072946      3.852757      4.688391
  C      -0.340829      1.686697      3.919737
  C      -0.409623      0.229621      4.272738
  C      -1.303988     -0.701800      3.874604
  C      -2.451432     -0.560871      2.975502
  N      -2.637758      0.592441      2.325054
  C      -3.734207      0.709395      1.541898
  N      -4.661291     -0.199072      1.306847
  C      -4.482917     -1.407196      1.919613
  C      -5.423147     -2.436560      1.668449
  C      -5.265923     -3.675578      2.250924
  C      -4.176239     -3.923922      3.117873
  C      -3.254845     -2.933303      3.393297
  C      -3.373906     -1.652001      2.796133
  C      -3.593404      0.432403      7.059116
  C      -4.705500      0.791344      8.006444
  C      -6.028906      0.579612      7.865819
  C      -6.674493     -0.165660      6.789014
  N      -5.936893     -1.052891      6.114153
  C      -6.564496     -1.788701      5.164490
  N      -7.842415     -1.762786      4.833617
  C      -8.613498     -0.842424      5.484797
  C      -9.982852     -0.726850      5.141926
  C     -10.766469      0.235455      5.741814
  C     -10.216252      1.117337      6.701436
  C      -8.889869      1.015609      7.067460
  C      -8.061778      0.025414      6.481480
  H      -3.934801      6.073883      6.753231
  H      -4.074250      5.130412      8.252328
  H      -4.791209      3.086583      6.785721
  H      -6.017137      5.603238      5.517453
  H      -6.333935      0.711081      3.466919
  H     -10.577269      2.358383      2.872901
  H     -11.811615      4.364632      3.713096
  H     -10.667829      6.013960      5.183708
  H      -8.296969      5.700161      5.815236
  H       0.594782      1.887641      3.366798
  H      -1.179050      1.949642      3.269114
  H       0.359317     -0.106756      4.977781
  H      -1.163375     -1.697770      4.294757
  H      -3.857039      1.677159      1.044120
  H      -6.258130     -2.213407      1.003604
  H      -5.988992     -4.468110      2.053155
  H      -4.066415     -4.907419      3.576933
  H      -2.430808     -3.154737      4.070173
  H      -3.256649     -0.608133      7.224869
  H      -3.943375      0.458429      6.019062
  H      -4.387042      1.348397      8.893687
  H      -6.685907      0.993670      8.632606
  H      -5.930216     -2.497648      4.625899
  H     -10.378540     -1.400986      4.381595
  H     -11.818085      0.331043      5.466872
  H     -10.846008      1.887914      7.148447
  H      -8.475174      1.712727      7.795909
  N      -3.208423      2.777747      4.599738
  H      -4.205311      2.458112      4.588164
  H      -2.982876      3.180382      3.683382
92
Coordinates from ORCA-job orca E -6200.559408529090
  N      -2.470033      4.560108      7.032875
  Mo     -2.019815      2.861661      6.102730
  N      -2.460870      1.353149      7.245274
  C      -1.638301      1.046880      8.417668
  C      -0.942008      2.305722      8.912084
  N      -0.396141      3.045677      7.748170
  C      -0.234295      4.498007      7.995996
  C      -1.601477      5.150652      8.045692
  C       0.856132      2.443430      7.233288
  C       0.959134      2.759444      5.750005
  N      -0.351111      2.529950      5.135439
  H      -1.496476      6.240042      7.891753
  H      -2.062769      5.024463      9.045224
  H       0.345466      4.906670      7.157387
  H       0.334582      4.681954      8.923463
  H       1.723038      2.116110      5.287224
  H       1.280867      3.802169      5.583195
  H       0.782144      1.355561      7.362681
  H       1.729671      2.803893      7.803103
  H      -2.259449      0.639329      9.233145
  H      -0.908305      0.256048      8.159400
  H      -1.677657      2.955711      9.403426
  H      -0.147513      2.071369      9.641126
  C      -3.855063      5.050643      7.169761
  C      -4.867604      4.152152      6.540229
  C      -5.860110      4.542516      5.724397
  C      -6.707851      3.586509      5.002993
  N      -6.123118      2.458774      4.581373
  C      -6.854097      1.615711      3.806985
  N      -8.098355      1.778272      3.407233
  C      -8.739033      2.895953      3.860751
  C     -10.094616      3.103640      3.509415
  C     -10.767748      4.209824      3.984017
  C     -10.118098      5.148948      4.821119
  C      -8.793509      4.978711      5.168325
  C      -8.075218      3.854835      4.691278
  C      -0.344456      1.687433      3.919492
  C      -0.413876      0.230996      4.274428
  C      -1.307827     -0.701087      3.876509
  C      -2.454754     -0.562875      2.976307
  N      -2.642265      0.589436      2.324385
  C      -3.738348      0.703985      1.540305
  N      -4.663856     -0.206054      1.305389
  C      -4.484121     -1.413387      1.919355
  C      -5.422575     -2.444297      1.668013
  C      -5.264186     -3.682622      2.251678
  C      -4.174864     -3.928697      3.119702
  C      -3.254952     -2.936631      3.394966
  C      -3.375421     -1.655769      2.796998
  C      -3.591440      0.431804      7.062899
  C      -4.704327      0.792633      8.008581
  C      -6.027674      0.581894      7.865587
  C      -6.671148     -0.162839      6.787206
  N      -5.932492     -1.050574      6.114171
  C      -6.557916     -1.785892      5.162723
  N      -7.835190     -1.759853      4.829231
  C      -8.607418     -0.839187      5.478712
  C      -9.976262     -0.723897      5.133631
  C     -10.760979      0.238531      5.731891
  C     -10.212463      1.120810      6.692164
  C      -8.886730      1.019181      7.060536
  C      -8.057633      0.028680      6.476457
  H      -3.936752      6.073152      6.758897
  H      -4.075106      5.124868      8.255178
  H      -4.792341      3.085452      6.784990
  H      -6.018989      5.605898      5.522844
  H      -6.334821      0.715324      3.466629
  H     -10.578434      2.362127      2.872923
  H     -11.814278      4.365747      3.717166
  H     -10.671973      6.012736      5.191400
  H      -8.300384      5.699934      5.821509
  H       0.590894      1.887249      3.365585
  H      -1.182597      1.950067      3.268570
  H       0.353667     -0.104099      4.981547
  H      -1.168022     -1.695964      4.299482
  H      -3.862588      1.671310      1.042065
  H      -6.257310     -2.222832      1.002307
  H      -5.985934     -4.476333      2.053874
  H      -4.063912     -4.911738      3.579449
  H      -2.430751     -3.156743      4.072044
  H      -3.254788     -0.608403      7.230583
  H      -3.940486      0.456137      6.022512
  H      -4.386741      1.350501      8.895605
  H      -6.686093      0.996909      8.630613
  H      -5.922170     -2.494813      4.625633
  H     -10.370645     -1.398284      4.372855
  H     -11.812103      0.334058      5.455090
  H     -10.842971      1.891679      7.137578
  H      -8.473223      1.716642      7.789327
  N      -3.213196      2.776337      4.603266
  H      -4.210615      2.458216      4.593509
  H      -2.990175      3.182220      3.687687
92
Coordinates from ORCA-job orca E -6200.559424846176
  N      -2.472025      4.558732      7.035126
  Mo     -2.021896      2.860457      6.103727
  N      -2.457005      1.350390      7.246961
  C      -1.634492      1.044313      8.419789
  C      -0.937592      2.303854      8.913494
  N      -0.395971      3.044346      7.748263
  C      -0.235467      4.497333      7.994269
  C      -1.603443      5.147429      8.048497
  C       0.855946      2.442657      7.231860
  C       0.958466      2.759755      5.748948
  N      -0.352849      2.533188      5.135482
  H      -1.500595      6.237569      7.898275
  H      -2.062558      5.016605      9.048471
  H       0.340288      4.906200      7.153016
  H       0.336416      4.683413      8.919497
  H       1.720577      2.115501      5.284615
  H       1.281662      3.802094      5.582502
  H       0.781162      1.354637      7.359879
  H       1.729600      2.801855      7.802339
  H      -2.256535      0.637908      9.235132
  H      -0.905353      0.252584      8.162009
  H      -1.672479      2.952492      9.407731
  H      -0.140365      2.070298      9.639728
  C      -3.857489      5.047849      7.172042
  C      -4.869146      4.151623      6.537370
  C      -5.861322      4.544074      5.722170
  C      -6.710089      3.588357      5.001430
  N      -6.125850      2.460675      4.579047
  C      -6.857330      1.617667      3.805059
  N      -8.101637      1.780711      3.405535
  C      -8.742061      2.898012      3.860340
  C     -10.097806      3.106168      3.509841
  C     -10.770893      4.211444      3.986616
  C     -10.120995      5.149513      4.824773
  C      -8.796023      4.979272      5.170478
  C      -8.077861      3.856212      4.691295
  C      -0.347169      1.690168      3.919237
  C      -0.415406      0.233940      4.274315
  C      -1.308737     -0.698986      3.876725
  C      -2.456030     -0.563527      2.976726
  N      -2.645647      0.588288      2.324523
  C      -3.742443      0.700831      1.541020
  N      -4.666137     -0.210969      1.306253
  C      -4.484274     -1.417819      1.920599
  C      -5.420789     -2.450366      1.668822
  C      -5.261102     -3.688102      2.253348
  C      -4.172174     -3.931910      3.122468
  C      -3.253719     -2.938447      3.397612
  C      -3.375448     -1.657951      2.798758
  C      -3.588242      0.429331      7.065380
  C      -4.701938      0.793978      8.008548
  C      -6.025516      0.585509      7.863237
  C      -6.668340     -0.160087      6.784866
  N      -5.930267     -1.049538      6.113501
  C      -6.555531     -1.785250      5.162051
  N      -7.832532     -1.758573      4.827831
  C      -8.604319     -0.836431      5.475795
  C      -9.973128     -0.721140      5.130552
  C     -10.757503      0.242551      5.727165
  C     -10.208679      1.126151      6.686081
  C      -8.883067      1.024341      7.054836
  C      -8.054421      0.032346      6.472647
  H      -3.939346      6.072381      6.766178
  H      -4.079411      5.116194      8.257510
  H      -4.796494      3.085283      6.782925
  H      -6.019392      5.607805      5.522107
  H      -6.338178      0.717273      3.464438
  H     -10.581951      2.365616      2.872464
  H     -11.817646      4.367513      3.720725
  H     -10.675073      6.012335      5.196990
  H      -8.302369      5.699651      5.824203
  H       0.587315      1.891060      3.364059
  H      -1.186066      1.952916      3.269192
  H       0.351675     -0.099893      4.982406
  H      -1.168618     -1.693062      4.301511
  H      -3.868978      1.668084      1.043335
  H      -6.255383     -2.230467      1.002425
  H      -5.981353     -4.483104      2.055293
  H      -4.060115     -4.914525      3.582849
  H      -2.429237     -3.157569      4.074692
  H      -3.252635     -0.610629      7.236225
  H      -3.935382      0.451258      6.024332
  H      -4.384701      1.353014      8.894955
  H      -6.684777      1.003668      8.625754
  H      -5.919555     -2.495056      4.626399
  H     -10.367785     -1.396629      4.370883
  H     -11.808552      0.338186      5.450141
  H     -10.838822      1.898259      7.129868
  H      -8.469301      1.722927      7.782395
  N      -3.214418      2.775937      4.604423
  H      -4.211731      2.457307      4.593284
  H      -2.991765      3.184309      3.689794
92
Coordinates from ORCA-job orca E -6200.559435464894
  N      -2.474710      4.554781      7.036689
  Mo     -2.023107      2.857081      6.104829
  N      -2.453798      1.346467      7.248998
  C      -1.632006      1.041165      8.422703
  C      -0.934507      2.300314      8.914817
  N      -0.395496      3.041369      7.748600
  C      -0.237219      4.494860      7.993970
  C      -1.606403      5.142368      8.050825
  C       0.856692      2.441672      7.230527
  C       0.958171      2.760176      5.747726
  N      -0.353756      2.535060      5.134841
  H      -1.505773      6.233124      7.903645
  H      -2.064389      5.007659      9.050855
  H       0.335502      4.904333      7.150943
  H       0.336462      4.682956      8.917685
  H       1.719279      2.115668      5.282165
  H       1.281848      3.802441      5.581698
  H       0.782889      1.353439      7.357411
  H       1.730206      2.800988      7.801137
  H      -2.255177      0.635837      9.237674
  H      -0.903283      0.248894      8.165686
  H      -1.668840      2.948206      9.410853
  H      -0.135678      2.067053      9.639352
  C      -3.860217      5.043729      7.173052
  C      -4.872152      4.148850      6.536644
  C      -5.862420      4.542456      5.719714
  C      -6.711609      3.586972      4.998891
  N      -6.128185      2.458442      4.577618
  C      -6.860114      1.615575      3.803929
  N      -8.104006      1.779559      3.403476
  C      -8.743562      2.897776      3.857182
  C     -10.098935      3.107160      3.505863
  C     -10.771095      4.213405      3.981602
  C     -10.120685      5.151441      4.819449
  C      -8.796088      4.980037      5.165853
  C      -8.078892      3.855871      4.687718
  C      -0.347748      1.695095      3.916026
  C      -0.411839      0.238005      4.267823
  C      -1.304704     -0.695544      3.870899
  C      -2.454159     -0.560374      2.973815
  N      -2.644562      0.591049      2.321105
  C      -3.743415      0.703568      1.540424
  N      -4.667505     -0.208308      1.307828
  C      -4.484621     -1.414833      1.922546
  C      -5.421645     -2.447418      1.672867
  C      -5.261797     -3.684473      2.258728
  C      -4.172188     -3.927476      3.127217
  C      -3.252941     -2.934113      3.399938
  C      -3.374579     -1.654425      2.799267
  C      -3.585736      0.425560      7.068833
  C      -4.700005      0.793880      8.009793
  C      -6.023767      0.587337      7.863287
  C      -6.666855     -0.159814      6.786141
  N      -5.929757     -1.051527      6.116864
  C      -6.555733     -1.788619      5.166813
  N      -7.832579     -1.761242      4.832482
  C      -8.603442     -0.836811      5.478322
  C      -9.972118     -0.721011      5.132811
  C     -10.755533      0.244956      5.726933
  C     -10.205749      1.130475      6.683496
  C      -8.880289      1.028129      7.052591
  C      -8.052698      0.033664      6.473151
  H      -3.941474      6.069319      6.769737
  H      -4.083351      5.109211      8.258523
  H      -4.803631      3.083463      6.785797
  H      -6.017653      5.606238      5.517845
  H      -6.341689      0.714218      3.464779
  H     -10.583632      2.366791      2.868703
  H     -11.817557      4.370331      3.715091
  H     -10.674153      6.014975      5.190894
  H      -8.301840      5.700218      5.819337
  H       0.585264      1.900203      3.359888
  H      -1.188260      1.957888      3.268151
  H       0.357460     -0.095566      4.973604
  H      -1.162360     -1.690062      4.294032
  H      -3.871154      1.670732      1.042897
  H      -6.256911     -2.227971      1.007169
  H      -5.982400     -4.479555      2.062318
  H      -4.060246     -4.909417      3.589048
  H      -2.427918     -3.152632      4.076615
  H      -3.250886     -0.614033      7.243336
  H      -3.931256      0.444162      6.027152
  H      -4.382667      1.354069      8.895421
  H      -6.683237      1.008373      8.623995
  H      -5.920211     -2.499960      4.632697
  H     -10.367423     -1.398078      4.374892
  H     -11.806484      0.340979      5.449716
  H     -10.835007      1.904546      7.125092
  H      -8.465866      1.728409      7.778121
  N      -3.218686      2.770825      4.608224
  H      -4.214684      2.448426      4.597747
  H      -3.000688      3.184543      3.694815
92
Coordinates from ORCA-job orca E -6200.559446295583
  N      -2.479426      4.549074      7.039057
  Mo     -2.024771      2.852174      6.107180
  N      -2.449387      1.339403      7.250621
  C      -1.627270      1.034965      8.424375
  C      -0.931498      2.295376      8.916181
  N      -0.396239      3.038471      7.749717
  C      -0.241577      4.492491      7.995159
  C      -1.612149      5.136906      8.053755
  C       0.857125      2.442208      7.230517
  C       0.957355      2.761738      5.747858
  N      -0.354804      2.536000      5.135428
  H      -1.514020      6.228141      7.908643
  H      -2.069350      4.999345      9.053800
  H       0.328393      4.903142      7.150821
  H       0.333338      4.682313      8.917714
  H       1.718481      2.117680      5.281702
  H       1.280273      3.804241      5.581880
  H       0.785806      1.353722      7.356828
  H       1.729818      2.803186      7.801278
  H      -2.250510      0.629167      9.239000
  H      -0.897919      0.243304      8.167172
  H      -1.666058      2.941375      9.414364
  H      -0.130698      2.063269      9.638895
  C      -3.864738      5.038653      7.173070
  C      -4.876747      4.145367      6.534812
  C      -5.864307      4.539517      5.714858
  C      -6.714188      3.584431      4.994048
  N      -6.132670      2.453990      4.575229
  C      -6.865801      1.611575      3.802219
  N      -8.108978      1.777404      3.400550
  C      -8.746594      2.897696      3.851804
  C     -10.101472      3.109010      3.499653
  C     -10.771572      4.217524      3.972889
  C     -10.119663      5.155961      4.809134
  C      -8.795686      4.982422      5.156648
  C      -8.080572      3.855817      4.681070
  C      -0.347658      1.700697      3.913071
  C      -0.406938      0.242319      4.260253
  C      -1.299459     -0.691782      3.864094
  C      -2.451631     -0.555944      2.970770
  N      -2.642155      0.594934      2.317020
  C      -3.742287      0.707280      1.538171
  N      -4.666971     -0.204487      1.307730
  C      -4.483916     -1.410393      1.923614
  C      -5.421417     -2.443012      1.675905
  C      -5.261473     -3.679361      2.263152
  C      -4.171457     -3.921468      3.131375
  C      -3.251700     -2.928083      3.402099
  C      -3.373116     -1.649382      2.799440
  C      -3.582300      0.419154      7.072033
  C      -4.696167      0.790651      8.012017
  C      -6.020289      0.587167      7.865169
  C      -6.664943     -0.160035      6.789137
  N      -5.929890     -1.054191      6.121027
  C      -6.558091     -1.792311      5.173151
  N      -7.835032     -1.763304      4.839910
  C      -8.603893     -0.836303      5.484530
  C      -9.972542     -0.718862      5.139632
  C     -10.754025      0.249400      5.732529
  C     -10.202071      1.135744      6.686994
  C      -8.876486      1.031989      7.055262
  C      -8.050871      0.035223      6.477067
  H      -3.944417      6.065093      6.771680
  H      -4.090133      5.102151      8.258296
  H      -4.813581      3.080686      6.788146
  H      -6.016051      5.603233      5.509968
  H      -6.348845      0.708763      3.464751
  H     -10.587494      2.368407      2.863802
  H     -11.817578      4.376019      3.705572
  H     -10.671573      6.021362      5.178498
  H      -8.300241      5.702667      5.809126
  H       0.583787      1.911190      3.356452
  H      -1.190134      1.963718      3.267980
  H       0.365815     -0.091728      4.962030
  H      -1.153755     -1.687382      4.283604
  H      -3.870427      1.674053      1.039930
  H      -6.257002     -2.224129      1.010437
  H      -5.982290     -4.474591      2.068208
  H      -4.059770     -4.902678      3.594799
  H      -2.426621     -3.145705      4.079004
  H      -3.248406     -0.620369      7.249161
  H      -3.927186      0.435354      6.030089
  H      -4.377672      1.350544      8.897413
  H      -6.679007      1.010348      8.625333
  H      -5.924272     -2.506132      4.640371
  H     -10.369394     -1.396790      4.383313
  H     -11.805055      0.346504      5.456058
  H     -10.829738      1.911600      7.127683
  H      -8.460622      1.733125      7.779125
  N      -3.219785      2.763939      4.610027
  H      -4.214810      2.438889      4.598095
  H      -3.004502      3.182726      3.698228
92
Coordinates from ORCA-job orca E -6200.559455540537
  N      -2.482753      4.543639      7.040969
  Mo     -2.024612      2.847945      6.109193
  N      -2.446056      1.334154      7.252153
  C      -1.623823      1.030579      8.425936
  C      -0.929615      2.291351      8.917183
  N      -0.396226      3.036245      7.750698
  C      -0.244749      4.490473      7.997534
  C      -1.616563      5.132540      8.056086
  C       0.858535      2.443927      7.230247
  C       0.957191      2.764983      5.747580
  N      -0.354566      2.536654      5.135357
  H      -1.520222      6.224005      7.911616
  H      -2.073922      4.993836      9.055950
  H       0.324222      4.902652      7.153223
  H       0.330070      4.680773      8.920001
  H       1.719428      2.122422      5.281067
  H       1.278089      3.808161      5.581887
  H       0.790636      1.355177      7.356136
  H       1.730428      2.807322      7.800668
  H      -2.246842      0.624020      9.240316
  H      -0.893554      0.239829      8.168505
  H      -1.664493      2.936315      9.416302
  H      -0.127902      2.059965      9.639159
  C      -3.868251      5.033414      7.172603
  C      -4.880008      4.141072      6.532569
  C      -5.865599      4.535270      5.710326
  C      -6.714984      3.580140      4.988849
  N      -6.133988      2.448471      4.572763
  C      -6.867264      1.605576      3.800345
  N      -8.110174      1.771457      3.397945
  C      -8.747122      2.893232      3.846448
  C     -10.101757      3.104805      3.493345
  C     -10.770898      4.215326      3.963128
  C     -10.118367      5.155533      4.796957
  C      -8.794843      4.981459      5.145790
  C      -8.080646      3.852768      4.673676
  C      -0.345625      1.704504      3.910807
  C      -0.402277      0.245092      4.254433
  C      -1.295039     -0.688966      3.858965
  C      -2.449371     -0.551271      2.968544
  N      -2.639813      0.600077      2.315663
  C      -3.741045      0.713657      1.538525
  N      -4.666784     -0.197338      1.308955
  C      -4.484133     -1.403411      1.924518
  C      -5.422823     -2.435276      1.677933
  C      -5.263116     -3.671772      2.264854
  C      -4.172444     -3.914737      3.132069
  C      -3.251680     -2.922080      3.401915
  C      -3.372481     -1.643479      2.798937
  C      -3.579555      0.414298      7.074242
  C      -4.693101      0.787590      8.013763
  C      -6.017656      0.586551      7.867489
  C      -6.664963     -0.160621      6.793021
  N      -5.932327     -1.056494      6.124667
  C      -6.563424     -1.794482      5.178483
  N      -7.840589     -1.762927      4.846581
  C      -8.606870     -0.833805      5.491223
  C      -9.975498     -0.713661      5.147255
  C     -10.754508      0.256424      5.740419
  C     -10.199840      1.141970      6.694025
  C      -8.874113      1.035752      7.061161
  C      -8.051004      0.037134      6.482661
  H      -3.946652      6.060478      6.772648
  H      -4.095808      5.095538      8.257558
  H      -4.820455      3.077085      6.788090
  H      -6.015212      5.598857      5.503061
  H      -6.350789      0.701765      3.464754
  H     -10.588329      2.362927      2.859391
  H     -11.816629      4.374106      3.694880
  H     -10.669494      6.022668      5.163419
  H      -8.299037      5.702845      5.796724
  H       0.585551      1.918216      3.355150
  H      -1.188867      1.967854      3.266964
  H       0.373332     -0.090004      4.952617
  H      -1.147076     -1.685634      4.275091
  H      -3.868967      1.680559      1.040491
  H      -6.258932     -2.215679      1.013343
  H      -5.984701     -4.466504      2.070671
  H      -4.061223     -4.895968      3.595586
  H      -2.426505     -3.140052      4.078545
  H      -3.246154     -0.625120      7.253331
  H      -3.924006      0.428594      6.032157
  H      -4.373456      1.346848      8.899177
  H      -6.674963      1.011462      8.627941
  H      -5.931922     -2.510337      4.645741
  H     -10.374232     -1.391078      4.391471
  H     -11.805576      0.355571      5.464809
  H     -10.825543      1.919135      7.135217
  H      -8.456563      1.736348      7.784596
  N      -3.220602      2.757507      4.612573
  H      -4.214845      2.430542      4.599983
  H      -3.006676      3.176811      3.700658
92
Coordinates from ORCA-job orca E -6200.559466101932
  N      -2.486646      4.537460      7.044071
  Mo     -2.025043      2.843101      6.112653
  N      -2.442403      1.327539      7.254207
  C      -1.618370      1.024591      8.426659
  C      -0.926734      2.286584      8.918023
  N      -0.396532      3.034164      7.751670
  C      -0.248542      4.488384      8.000910
  C      -1.621582      5.128078      8.059315
  C       0.859519      2.446424      7.228980
  C       0.955415      2.770027      5.746518
  N      -0.355908      2.538019      5.134713
  H      -1.526893      6.219635      7.914587
  H      -2.079194      4.989179      9.059061
  H       0.319841      4.902955      7.157343
  H       0.325779      4.678166      8.923729
  H       1.719544      2.130329      5.279041
  H       1.273082      3.814365      5.581991
  H       0.795684      1.357330      7.353921
  H       1.730957      2.812393      7.798441
  H      -2.239474      0.615943      9.241455
  H      -0.886549      0.235773      8.167607
  H      -1.662088      2.929841      9.418707
  H      -0.123581      2.056202      9.638763
  C      -3.872157      5.027497      7.173497
  C      -4.883484      4.136503      6.531272
  C      -5.867163      4.531830      5.707282
  C      -6.716341      3.577510      4.984567
  N      -6.136365      2.444332      4.571177
  C      -6.869847      1.601674      3.798656
  N      -8.112061      1.768581      3.394764
  C      -8.747848      2.892271      3.840144
  C     -10.101844      3.104882      3.485256
  C     -10.769713      4.217710      3.951363
  C     -10.116514      5.159094      4.783305
  C      -8.793748      4.983684      5.134324
  C      -8.080843      3.852548      4.666147
  C      -0.345592      1.709381      3.907937
  C      -0.400091      0.248950      4.248167
  C      -1.293077     -0.685371      3.853715
  C      -2.449738     -0.546810      2.966183
  N      -2.641030      0.604388      2.313268
  C      -3.743185      0.717792      1.537528
  N      -4.669513     -0.193126      1.309704
  C      -4.486510     -1.398761      1.925894
  C      -5.426023     -2.430519      1.681850
  C      -5.265578     -3.666600      2.269421
  C      -4.173600     -3.909181      3.135139
  C      -3.252224     -2.916517      3.402799
  C      -3.373609     -1.638565      2.798752
  C      -3.576552      0.408354      7.077654
  C      -4.689280      0.782970      8.017486
  C      -6.014198      0.584574      7.871520
  C      -6.663067     -0.161351      6.797265
  N      -5.931659     -1.058219      6.128909
  C      -6.564267     -1.796060      5.183658
  N      -7.841489     -1.762930      4.852240
  C      -8.606420     -0.832520      5.496716
  C      -9.974785     -0.710392      5.152482
  C     -10.752388      0.260976      5.745447
  C     -10.196383      1.145750      6.698944
  C      -8.870761      1.037787      7.066097
  C      -8.049046      0.038069      6.487627
  H      -3.949130      6.055238      6.775052
  H      -4.101866      5.088288      8.258156
  H      -4.827113      3.072469      6.787682
  H      -6.014631      5.595457      5.498595
  H      -6.354207      0.696834      3.464539
  H     -10.588909      2.362102      2.852751
  H     -11.814890      4.377455      3.681553
  H     -10.666514      6.028287      5.146554
  H      -8.297657      5.705934      5.784067
  H       0.585553      1.925657      3.353442
  H      -1.189405      1.973098      3.265098
  H       0.378414     -0.087199      4.942670
  H      -1.142592     -1.682884      4.266813
  H      -3.871515      1.684382      1.038951
  H      -6.263188     -2.211153      1.018517
  H      -5.987696     -4.461319      2.077168
  H      -4.061992     -4.890033      3.599363
  H      -2.426512     -3.133671      4.079000
  H      -3.243689     -0.631156      7.257693
  H      -3.921621      0.421622      6.035767
  H      -4.368413      1.341044      8.903228
  H      -6.670383      1.010127      8.632627
  H      -5.934072     -2.513273      4.651190
  H     -10.374278     -1.387259      4.396625
  H     -11.803262      0.361698      5.469702
  H     -10.820974      1.923655      7.140397
  H      -8.452666      1.737780      7.789808
  N      -3.221420      2.750596      4.616065
  H      -4.215218      2.422702      4.602420
  H      -3.008063      3.170416      3.704244
92
Coordinates from ORCA-job orca E -6200.559476170271
  N      -2.490366      4.531895      7.047420
  Mo     -2.025718      2.839093      6.116010
  N      -2.439509      1.321609      7.255745
  C      -1.612498      1.019134      8.426072
  C      -0.923654      2.282587      8.918044
  N      -0.397100      3.033293      7.751845
  C      -0.252404      4.487322      8.004174
  C      -1.626638      5.124285      8.062831
  C       0.859999      2.450381      7.226001
  C       0.952455      2.777154      5.743900
  N      -0.358340      2.540458      5.132801
  H      -1.533739      6.215936      7.917608
  H      -2.084461      4.985165      9.062451
  H       0.315761      4.905092      7.162034
  H       0.321065      4.675733      8.927769
  H       1.719000      2.141359      5.274916
  H       1.265933      3.823029      5.581098
  H       0.800352      1.360888      7.349437
  H       1.731328      2.818698      7.794162
  H      -2.230557      0.607540      9.241741
  H      -0.878716      0.232932      8.164626
  H      -1.659715      2.923688      9.420523
  H      -0.118857      2.053352      9.637360
  C      -3.876110      5.021885      7.174684
  C      -4.886493      4.132442      6.528932
  C      -5.868387      4.529678      5.703777
  C      -6.717791      3.576198      4.980344
  N      -6.138770      2.441745      4.569194
  C      -6.872639      1.598807      3.797218
  N      -8.114696      1.766040      3.393008
  C      -8.749525      2.891192      3.836095
  C     -10.103211      3.104279      3.480389
  C     -10.770014      4.219060      3.943480
  C     -10.115899      5.161857      4.773073
  C      -8.793439      4.985831      5.125072
  C      -8.081627      3.852706      4.660115
  C      -0.346348      1.712314      3.906050
  C      -0.399265      0.251760      4.246047
  C      -1.292220     -0.683211      3.853227
  C      -2.450536     -0.544728      2.967636
  N      -2.643639      0.606834      2.315974
  C      -3.746024      0.719502      1.540467
  N      -4.671339     -0.192430      1.311996
  C      -4.487007     -1.398146      1.927543
  C      -5.425280     -2.430982      1.683026
  C      -5.262908     -3.667343      2.269515
  C      -4.170423     -3.909155      3.134869
  C      -3.250373     -2.915396      3.403165
  C      -3.373579     -1.637211      2.799988
  C      -3.573489      0.402210      7.080086
  C      -4.685506      0.776963      8.020719
  C      -6.010929      0.581102      7.875269
  C      -6.661989     -0.162307      6.800529
  N      -5.932614     -1.059905      6.130809
  C      -6.567203     -1.795169      5.184848
  N      -7.844506     -1.758757      4.853730
  C      -8.607134     -0.827282      5.499405
  C      -9.975216     -0.701423      5.155343
  C     -10.750361      0.271220      5.749520
  C     -10.192084      1.153353      6.704156
  C      -8.866688      1.041678      7.071198
  C      -8.047497      0.040676      6.491413
  H      -3.951814      6.050339      6.777823
  H      -4.108078      5.081134      8.258967
  H      -4.832513      3.068363      6.784864
  H      -6.014289      5.593458      5.494769
  H      -6.357610      0.693344      3.463925
  H     -10.590825      2.360438      2.849526
  H     -11.814969      4.379271      3.673025
  H     -10.664916      6.032759      5.133763
  H      -8.296888      5.709328      5.773099
  H       0.585326      1.929211      3.352776
  H      -1.190027      1.974854      3.262523
  H       0.381169     -0.084176      4.938540
  H      -1.139908     -1.680895      4.265147
  H      -3.875527      1.686200      1.042421
  H      -6.262983     -2.212190      1.020155
  H      -5.984030     -4.462898      2.076875
  H      -4.057332     -4.890292      3.598166
  H      -2.424375     -3.131700      4.079243
  H      -3.240515     -0.637272      7.260160
  H      -3.919442      0.415078      6.038491
  H      -4.363498      1.333647      8.906966
  H      -6.665707      1.007181      8.637334
  H      -5.938883     -2.513167      4.651206
  H     -10.376251     -1.376256      4.398473
  H     -11.800934      0.375064      5.473727
  H     -10.814719      1.932137      7.146876
  H      -8.447171      1.739543      7.796170
  N      -3.223125      2.744408      4.620374
  H      -4.217000      2.416824      4.606250
  H      -3.009644      3.163317      3.708144
92
Coordinates from ORCA-job orca E -6200.559483566271
  N      -2.491598      4.529308      7.051357
  Mo     -2.026599      2.837324      6.119645
  N      -2.438624      1.318237      7.257986
  C      -1.608665      1.015490      8.426175
  C      -0.920683      2.279358      8.918507
  N      -0.397032      3.032227      7.752162
  C      -0.253334      4.485931      8.007354
  C      -1.628233      5.121642      8.067234
  C       0.859839      2.451667      7.222861
  C       0.949425      2.782085      5.741326
  N      -0.361500      2.543407      5.131240
  H      -1.536130      6.213416      7.922231
  H      -2.085847      4.981793      9.066810
  H       0.314891      4.906336      7.166614
  H       0.319681      4.672230      8.931671
  H       1.717343      2.149678      5.269998
  H       1.260071      3.829192      5.580962
  H       0.801714      1.361838      7.343955
  H       1.731916      2.819782      7.790058
  H      -2.223936      0.601837      9.242964
  H      -0.873874      0.231025      8.162506
  H      -1.656890      2.918918      9.422746
  H      -0.114461      2.050468      9.636323
  C      -3.877150      5.020450      7.176866
  C      -4.886853      4.132153      6.528405
  C      -5.867090      4.531183      5.702165
  C      -6.717444      3.578520      4.978812
  N      -6.139814      2.442542      4.569893
  C      -6.874147      1.599463      3.798477
  N      -8.115610      1.767951      3.392867
  C      -8.749158      2.894756      3.833639
  C     -10.102250      3.109043      3.476571
  C     -10.768028      4.225359      3.937610
  C     -10.113243      5.168495      4.766231
  C      -8.791198      4.991340      5.119423
  C      -8.080538      3.856564      4.656845
  C      -0.349832      1.716603      3.903910
  C      -0.401965      0.255609      4.242519
  C      -1.294816     -0.679954      3.850319
  C      -2.454809     -0.543087      2.966580
  N      -2.651125      0.608179      2.315335
  C      -3.755047      0.719178      1.541777
  N      -4.679293     -0.194219      1.314770
  C      -4.491957     -1.399649      1.929948
  C      -5.429147     -2.433869      1.687175
  C      -5.264074     -3.669880      2.273716
  C      -4.169843     -3.909969      3.137337
  C      -3.250653     -2.914872      3.403756
  C      -3.376653     -1.636949      2.800522
  C      -3.572626      0.398926      7.083998
  C      -4.684400      0.774699      8.024554
  C      -6.009870      0.579638      7.878251
  C      -6.659579     -0.163548      6.802469
  N      -5.929139     -1.061531      6.134289
  C      -6.562033     -1.797200      5.187629
  N      -7.839178     -1.761997      4.855331
  C      -8.602883     -0.830364      5.499540
  C      -9.970694     -0.705263      5.154031
  C     -10.746494      0.268319      5.745865
  C     -10.189298      1.152054      6.699689
  C      -8.864313      1.040940      7.068455
  C      -8.044492      0.039055      6.491050
  H      -3.951308      6.049066      6.780030
  H      -4.110768      5.079686      8.260726
  H      -4.834460      3.067924      6.784629
  H      -6.011279      5.595090      5.492814
  H      -6.360185      0.692800      3.466815
  H     -10.590218      2.364907      2.846328
  H     -11.812592      4.386529      3.666223
  H     -10.661333      6.040668      5.125265
  H      -8.294275      5.715387      5.766562
  H       0.581784      1.933748      3.350546
  H      -1.193586      1.979155      3.260412
  H       0.379407     -0.080447      4.933868
  H      -1.141015     -1.677517      4.261978
  H      -3.887248      1.685873      1.044467
  H      -6.268412     -2.216362      1.025863
  H      -5.984457     -4.466441      2.082479
  H      -4.054589     -4.890867      3.600593
  H      -2.423188     -3.129826      4.078500
  H      -3.239909     -0.640506      7.264535
  H      -3.919374      0.411446      6.042658
  H      -4.362382      1.331406      8.910787
  H      -6.665162      1.005892      8.639785
  H      -5.932529     -2.514755      4.654712
  H     -10.370859     -1.381178      4.397668
  H     -11.796736      0.371762      5.468665
  H     -10.812426      1.931551      7.140465
  H      -8.445554      1.739784      7.792921
  N      -3.224999      2.742732      4.624881
  H      -4.219112      2.415831      4.610173
  H      -3.009594      3.158365      3.711605
92
Coordinates from ORCA-job orca E -6200.559480052294
  N      -2.490743      4.530969      7.051494
  Mo     -2.028149      2.836313      6.123755
  N      -2.440712      1.319257      7.264998
  C      -1.609056      1.018399      8.432555
  C      -0.920032      2.282963      8.922116
  N      -0.397508      3.033681      7.753888
  C      -0.252532      4.487631      8.007163
  C      -1.627185      5.124033      8.066713
  C       0.858190      2.451200      7.223713
  C       0.946600      2.780692      5.741892
  N      -0.364836      2.541360      5.132913
  H      -1.534581      6.215538      7.919944
  H      -2.084652      4.985640      9.066517
  H       0.316133      4.906989      7.166264
  H       0.320356      4.674339      8.931501
  H       1.714628      2.148938      5.269946
  H       1.256409      3.828011      5.581238
  H       0.798733      1.361481      7.345273
  H       1.731332      2.818413      7.789879
  H      -2.223058      0.606176      9.251050
  H      -0.874542      0.233486      8.169475
  H      -1.655886      2.923287      9.425897
  H      -0.113143      2.055313      9.639527
  C      -3.875297      5.025617      7.173537
  C      -4.885356      4.136458      6.526783
  C      -5.864343      4.533871      5.698271
  C      -6.717584      3.579556      4.980429
  N      -6.143978      2.438644      4.579581
  C      -6.881159      1.592486      3.814310
  N      -8.121821      1.762711      3.406791
  C      -8.751424      2.894861      3.839446
  C     -10.103522      3.111666      3.480218
  C     -10.765623      4.233270      3.933752
  C     -10.107909      5.179386      4.756607
  C      -8.786575      4.999953      5.111396
  C      -8.079697      3.859749      4.656454
  C      -0.354112      1.714774      3.905634
  C      -0.407328      0.253627      4.243272
  C      -1.299427     -0.681279      3.847753
  C      -2.457326     -0.543596      2.961674
  N      -2.654216      0.609828      2.314357
  C      -3.756554      0.721940      1.538684
  N      -4.678245     -0.192419      1.305464
  C      -4.489809     -1.400149      1.915916
  C      -5.423972     -2.435324      1.665844
  C      -5.258047     -3.673489      2.247638
  C      -4.165833     -3.914936      3.113393
  C      -3.249457     -2.919068      3.386628
  C      -3.376455     -1.638742      2.788665
  C      -3.574604      0.399464      7.094201
  C      -4.686398      0.778284      8.033595
  C      -6.011729      0.582288      7.887072
  C      -6.659620     -0.165117      6.813043
  N      -5.928333     -1.066746      6.150647
  C      -6.559341     -1.806488      5.206039
  N      -7.836057     -1.773157      4.871621
  C      -8.600667     -0.838244      5.509947
  C      -9.968079     -0.714927      5.162146
  C     -10.744390      0.262320      5.747213
  C     -10.188288      1.151664      6.696483
  C      -8.863916      1.042177      7.067846
  C      -8.043686      0.036487      6.497606
  H      -3.946971      6.052528      6.771778
  H      -4.109936      5.090057      8.256782
  H      -4.833675      3.073213      6.786826
  H      -6.006700      5.597138      5.484604
  H      -6.370673      0.681209      3.489994
  H     -10.593734      2.365174      2.854510
  H     -11.809507      4.396345      3.660883
  H     -10.653116      6.055672      5.109984
  H      -8.287370      5.726588      5.753877
  H       0.577513      1.931162      3.351846
  H      -1.197389      1.977984      3.261682
  H       0.372485     -0.083211      4.935963
  H      -1.146529     -1.679379      4.258547
  H      -3.889639      1.690621      1.045433
  H      -6.261804     -2.216809      1.003050
  H      -5.976189     -4.470708      2.050792
  H      -4.049808     -4.897568      3.572765
  H      -2.423182     -3.135375      4.062441
  H      -3.242047     -0.639452      7.277546
  H      -3.921726      0.409446      6.052938
  H      -4.364730      1.338267      8.917882
  H      -6.668026      1.011063      8.646305
  H      -5.928706     -2.526082      4.677203
  H     -10.367542     -1.395144      4.409263
  H     -11.794243      0.364369      5.468003
  H     -10.811743      1.934183      7.131411
  H      -8.445494      1.745182      7.788473
  N      -3.227500      2.739628      4.630037
  H      -4.222147      2.414062      4.616277
  H      -3.011080      3.151891      3.715491
92
Coordinates from ORCA-job orca E -6200.559417511079
  N      -2.479850      4.540079      7.048215
  Mo     -2.025399      2.839158      6.128102
  N      -2.440781      1.325845      7.274309
  C      -1.605409      1.028549      8.440479
  C      -0.913623      2.294468      8.925389
  N      -0.392478      3.040278      7.753635
  C      -0.242731      4.494376      8.002941
  C      -1.616083      5.132823      8.062793
  C       0.859520      2.451338      7.221226
  C       0.946168      2.778184      5.738678
  N      -0.366837      2.539204      5.132125
  H      -1.521880      6.223859      7.913405
  H      -2.073125      4.996185      9.062912
  H       0.327400      4.911378      7.162062
  H       0.329758      4.681118      8.927614
  H       1.713490      2.147057      5.264986
  H       1.255263      3.825673      5.577448
  H       0.794555      1.361922      7.343319
  H       1.735701      2.814234      7.785562
  H      -2.216688      0.618636      9.262243
  H      -0.871338      0.242878      8.178321
  H      -1.649142      2.936253      9.427808
  H      -0.105807      2.069182      9.642359
  C      -3.861478      5.044378      7.161240
  C      -4.872398      4.153462      6.518020
  C      -5.848221      4.546870      5.683881
  C      -6.708752      3.588626      4.979920
  N      -6.145310      2.435994      4.598536
  C      -6.889755      1.582448      3.848728
  N      -8.128484      1.757041      3.436443
  C      -8.748193      2.901793      3.849721
  C     -10.097358      3.125873      3.483989
  C     -10.749960      4.260442      3.918933
  C     -10.085049      5.212962      4.728511
  C      -8.765791      5.027123      5.087911
  C      -8.068568      3.873760      4.651507
  C      -0.360025      1.706886      3.909469
  C      -0.422769      0.247921      4.252692
  C      -1.324992     -0.678305      3.861139
  C      -2.486658     -0.527980      2.983335
  N      -2.680500      0.632986      2.348601
  C      -3.788545      0.760628      1.583301
  N      -4.718193     -0.145136      1.348502
  C      -4.533059     -1.360394      1.945467
  C      -5.476557     -2.386188      1.692230
  C      -5.315896     -3.631097      2.261144
  C      -4.218759     -3.889102      3.115745
  C      -3.292503     -2.902904      3.391025
  C      -3.414573     -1.615491      2.807108
  C      -3.566720      0.396810      7.102538
  C      -4.685856      0.770031      8.035741
  C      -6.008474      0.558944      7.883436
  C      -6.641810     -0.201730      6.809494
  N      -5.898935     -1.103225      6.159573
  C      -6.515668     -1.852875      5.213484
  N      -7.790164     -1.832231      4.868729
  C      -8.566554     -0.898534      5.494217
  C      -9.932844     -0.789173      5.137162
  C     -10.720281      0.187595      5.707873
  C     -10.177348      1.090544      6.652072
  C      -8.855000      0.993867      7.033726
  C      -8.023921     -0.011972      6.479407
  H      -3.926364      6.066537      6.746237
  H      -4.098523      5.122560      8.242749
  H      -4.820214      3.093082      6.785086
  H      -5.987015      5.608642      5.460938
  H      -6.388196      0.659832      3.543110
  H     -10.593100      2.374357      2.868631
  H     -11.791893      4.428863      3.641707
  H     -10.622940      6.099173      5.068245
  H      -8.260817      5.759472      5.719394
  H       0.572087      1.914993      3.352818
  H      -1.201193      1.971193      3.262801
  H       0.354421     -0.092946      4.946289
  H      -1.181420     -1.677253      4.273575
  H      -3.918818      1.735356      1.101130
  H      -6.317832     -2.155220      1.038014
  H      -6.041636     -4.420853      2.061869
  H      -4.106444     -4.877067      3.564575
  H      -2.461492     -3.132846      4.056531
  H      -3.227289     -0.638900      7.289793
  H      -3.910018      0.402088      6.059910
  H      -4.373712      1.338763      8.917874
  H      -6.673989      0.986127      8.635439
  H      -5.874541     -2.569238      4.692775
  H     -10.322734     -1.479477      4.388344
  H     -11.769071      0.278939      5.420829
  H     -10.809325      1.873477      7.073879
  H      -8.444981      1.707011      7.749257
  N      -3.227960      2.739021      4.638094
  H      -4.224353      2.417550      4.628085
  H      -3.011016      3.147002      3.721794
92
Coordinates from ORCA-job orca E -6200.559408191476
  N      -2.485880      4.538736      7.051223
  Mo     -2.029432      2.843046      6.121378
  N      -2.446587      1.325291      7.260594
  C      -1.614178      1.021187      8.426995
  C      -0.922615      2.284131      8.919419
  N      -0.398556      3.035435      7.752673
  C      -0.249439      4.488416      8.007921
  C      -1.622451      5.126999      8.068772
  C       0.855178      2.449522      7.221609
  C       0.944857      2.780449      5.740394
  N      -0.367069      2.543899      5.130966
  H      -1.527856      6.218729      7.924934
  H      -2.080469      4.986103      9.067932
  H       0.320851      4.908063      7.168365
  H       0.322941      4.672230      8.933217
  H       1.711962      2.148754      5.267021
  H       1.255723      3.827762      5.581519
  H       0.791272      1.359755      7.340806
  H       1.729523      2.812018      7.788990
  H      -2.228234      0.608295      9.245154
  H      -0.881008      0.235530      8.162239
  H      -1.658136      2.924333      9.423831
  H      -0.116353      2.054303      9.636772
  C      -3.868578      5.038831      7.171029
  C      -4.879883      4.152583      6.522349
  C      -5.855890      4.553284      5.691899
  C      -6.709884      3.602168      4.970944
  N      -6.137803      2.461379      4.567616
  C      -6.874476      1.619474      3.797280
  N      -8.112842      1.794894      3.384647
  C      -8.741015      2.927082      3.819138
  C     -10.090305      3.150415      3.453288
  C     -10.750921      4.272464      3.907969
  C     -10.094335      5.212880      4.738268
  C      -8.775435      5.027441      5.098995
  C      -8.070076      3.886670      4.642892
  C      -0.356948      1.712564      3.907163
  C      -0.411343      0.253084      4.250248
  C      -1.304789     -0.680887      3.856493
  C      -2.463315     -0.542688      2.971908
  N      -2.662315      0.612645      2.328612
  C      -3.766853      0.726750      1.556170
  N      -4.688826     -0.187217      1.322756
  C      -4.498026     -1.396992      1.928776
  C      -5.432505     -2.431605      1.677779
  C      -5.264160     -3.672007      2.254172
  C      -4.168455     -3.916544      3.114596
  C      -3.251670     -2.921273      3.388724
  C      -3.381684     -1.638280      2.797052
  C      -3.576634      0.401426      7.085721
  C      -4.688430      0.769780      8.029576
  C      -6.012682      0.561779      7.888193
  C      -6.659125     -0.189733      6.815850
  N      -5.923605     -1.082824      6.146440
  C      -6.552758     -1.824508      5.202066
  N      -7.831749     -1.802076      4.874983
  C      -8.601131     -0.876544      5.520955
  C      -9.972164     -0.765766      5.183200
  C     -10.753829      0.202467      5.775953
  C     -10.199931      1.095139      6.723486
  C      -8.872227      0.997188      7.085802
  C      -8.046494      0.000225      6.508114
  H      -3.936010      6.064948      6.766444
  H      -4.104255      5.106287      8.253709
  H      -4.827513      3.089187      6.779543
  H      -5.995908      5.617294      5.480578
  H      -6.365653      0.707339      3.472912
  H     -10.579648      2.408364      2.821572
  H     -11.792780      4.440358      3.630193
  H     -10.638475      6.089375      5.092864
  H      -8.276959      5.749889      5.746776
  H       0.574378      1.926163      3.351504
  H      -1.199728      1.973442      3.261449
  H       0.366621     -0.082021      4.945816
  H      -1.154572     -1.677982      4.270878
  H      -3.901211      1.696879      1.065984
  H      -6.272611     -2.211054      1.018506
  H      -5.982681     -4.468698      2.056450
  H      -4.050054     -4.901101      3.569302
  H      -2.422164     -3.140430      4.059671
  H      -3.239161     -0.636876      7.262565
  H      -3.925397      0.416084      6.045013
  H      -4.368001      1.330452      8.913892
  H      -6.669626      0.983081      8.650999
  H      -5.918221     -2.535363      4.666047
  H     -10.370556     -1.448092      4.431587
  H     -11.806591      0.294871      5.504277
  H     -10.827847      1.871146      7.163714
  H      -8.454668      1.702684      7.804533
  N      -3.229491      2.750389      4.628690
  H      -4.224480      2.425248      4.615777
  H      -3.013305      3.165047      3.715190
92
Coordinates from ORCA-job orca E -6200.559051910044
  N      -2.505303      4.523013      7.068764
  Mo     -2.041747      2.840537      6.117669
  N      -2.441868      1.311010      7.245100
  C      -1.611273      0.998600      8.409890
  C      -0.918911      2.256161      8.906107
  N      -0.401214      3.020295      7.743491
  C      -0.259261      4.472120      8.010710
  C      -1.634450      5.106861      8.083903
  C       0.855222      2.450416      7.202447
  C       0.934739      2.794178      5.722989
  N      -0.379362      2.557679      5.119379
  H      -1.544129      6.200167      7.950263
  H      -2.085712      4.957220      9.085213
  H       0.300826      4.898604      7.167346
  H       0.321758      4.653151      8.930913
  H       1.699448      2.163932      5.243425
  H       1.244128      3.842238      5.566488
  H       0.803356      1.359522      7.315695
  H       1.728234      2.818668      7.767861
  H      -2.227301      0.581790      9.224372
  H      -0.880237      0.213339      8.138258
  H      -1.650101      2.893150      9.420829
  H      -0.108649      2.019382      9.616953
  C      -3.890016      5.014005      7.210455
  C      -4.910444      4.135629      6.565615
  C      -5.896363      4.545701      5.751685
  C      -6.753601      3.605908      5.020278
  N      -6.181303      2.476203      4.587628
  C      -6.925324      1.648217      3.809309
  N      -8.170523      1.824939      3.419893
  C      -8.797147      2.946839      3.882760
  C     -10.154384      3.167558      3.545286
  C     -10.812244      4.279249      4.027723
  C     -10.146078      5.210756      4.860545
  C      -8.821329      5.025288      5.198173
  C      -8.118369      3.894698      4.713472
  C      -0.370560      1.741037      3.884033
  C      -0.386634      0.276376      4.214958
  C      -1.256267     -0.684849      3.829803
  C      -2.424733     -0.589459      2.949676
  N      -2.656723      0.543414      2.278162
  C      -3.767341      0.608271      1.508994
  N      -4.667617     -0.334165      1.305757
  C      -4.443080     -1.521615      1.942254
  C      -5.352487     -2.586347      1.726925
  C      -5.146026     -3.806634      2.332580
  C      -4.037736     -3.999897      3.190087
  C      -3.147037     -2.973548      3.432667
  C      -3.315335     -1.711261      2.807952
  C      -3.579306      0.396533      7.065612
  C      -4.693722      0.776499      8.000519
  C      -6.019413      0.595201      7.843735
  C      -6.668589     -0.136372      6.760385
  N      -5.941332     -1.037371      6.093548
  C      -6.575210     -1.763477      5.139984
  N      -7.848195     -1.711492      4.796176
  C      -8.607705     -0.774416      5.437603
  C      -9.968130     -0.627016      5.072821
  C     -10.737759      0.355017      5.658643
  C     -10.180666      1.225191      6.624712
  C      -8.862561      1.093147      7.010997
  C      -8.048902      0.083732      6.438490
  H      -3.965311      6.048290      6.829234
  H      -4.115146      5.059563      8.297239
  H      -4.864565      3.068085      6.814171
  H      -6.036676      5.612353      5.553863
  H      -6.415558      0.747510      3.455468
  H     -10.651528      2.432545      2.911637
  H     -11.859249      4.446066      3.769795
  H     -10.687983      6.079903      5.235633
  H      -8.316081      5.738508      5.850614
  H       0.549510      1.981324      3.321806
  H      -1.228915      1.993566      3.257013
  H       0.411962     -0.042433      4.894806
  H      -1.068638     -1.676911      4.240399
  H      -3.929117      1.560706      0.993512
  H      -6.202716     -2.404881      1.068863
  H      -5.844195     -4.627147      2.161823
  H      -3.890255     -4.968561      3.669557
  H      -2.310322     -3.150794      4.106867
  H      -3.251421     -0.644685      7.247108
  H      -3.920702      0.410275      6.022584
  H      -4.372694      1.326144      8.891459
  H      -6.676013      1.023161      8.603281
  H      -5.949953     -2.487637      4.611298
  H     -10.366900     -1.292722      4.306874
  H     -11.782483      0.475017      5.367930
  H     -10.798695      2.010260      7.062585
  H      -8.445144      1.782422      7.745281
  N      -3.250539      2.758195      4.629136
  H      -4.239613      2.418696      4.614576
  H      -3.044678      3.183224      3.717886
92
Coordinates from ORCA-job orca E -6200.559476408849
  N      -2.491503      4.531619      7.052971
  Mo     -2.029815      2.838237      6.121336
  N      -2.441906      1.318197      7.258920
  C      -1.610804      1.014235      8.426144
  C      -0.921058      2.277321      8.918962
  N      -0.398729      3.031406      7.753041
  C      -0.253995      4.484809      8.009697
  C      -1.628762      5.120574      8.071058
  C       0.856888      2.449869      7.221567
  C       0.945708      2.782345      5.740574
  N      -0.366015      2.544713      5.131113
  H      -1.536666      6.212760      7.929180
  H      -2.086389      4.977349      9.070126
  H       0.314325      4.906073      7.169542
  H       0.318912      4.669949      8.934361
  H       1.713349      2.151516      5.266873
  H       1.255396      3.830003      5.582015
  H       0.796517      1.359842      7.340179
  H       1.729907      2.814866      7.789328
  H      -2.225951      0.600927      9.243247
  H      -0.877158      0.228960      8.161601
  H      -1.656945      2.915974      9.424806
  H      -0.114072      2.047652      9.635570
  C      -3.875470      5.028408      7.173719
  C      -4.886258      4.139673      6.527387
  C      -5.864112      4.536234      5.697208
  C      -6.715301      3.581223      4.977919
  N      -6.141326      2.439026      4.581206
  C      -6.876622      1.592169      3.814970
  N      -8.115346      1.763186      3.401847
  C      -8.745289      2.896895      3.829858
  C     -10.095363      3.115423      3.463866
  C     -10.757645      4.239004      3.912123
  C     -10.102327      5.185542      4.736470
  C      -8.783080      5.004402      5.097889
  C      -8.075881      3.862236      4.648086
  C      -0.354978      1.719327      3.902925
  C      -0.401535      0.257737      4.239162
  C      -1.292581     -0.679074      3.846146
  C      -2.456242     -0.543256      2.967502
  N      -2.662697      0.612168      2.326764
  C      -3.772166      0.723550      1.561114
  N      -4.693010     -0.192775      1.332752
  C      -4.494850     -1.402499      1.936206
  C      -5.428017     -2.439553      1.690391
  C      -5.252765     -3.679695      2.265151
  C      -4.151447     -3.921478      3.119157
  C      -3.235650     -2.923942      3.388087
  C      -3.372537     -1.641230      2.797391
  C      -3.574479      0.397216      7.084933
  C      -4.684608      0.768753      8.029274
  C      -6.009997      0.571665      7.885006
  C      -6.660606     -0.166072      6.805955
  N      -5.929781     -1.056735      6.128452
  C      -6.563080     -1.786171      5.177295
  N      -7.841472     -1.752475      4.849465
  C      -8.606034     -0.828773      5.503927
  C      -9.975834     -0.706178      5.165386
  C     -10.752674      0.259996      5.767774
  C     -10.194704      1.138866      6.725697
  C      -8.867996      1.029404      7.088440
  C      -8.047089      0.034597      6.500348
  H      -3.945619      6.054863      6.770551
  H      -4.110531      5.094336      8.256754
  H      -4.832969      3.076353      6.786416
  H      -6.006165      5.599410      5.482925
  H      -6.365874      0.679563      3.494578
  H     -10.583929      2.368716      2.837110
  H     -11.799904      4.403369      3.633866
  H     -10.647781      6.063301      5.085767
  H      -8.285636      5.731210      5.741516
  H       0.573750      1.940602      3.346076
  H      -1.201346      1.979968      3.261924
  H       0.381860     -0.077154      4.928707
  H      -1.134942     -1.677219      4.255021
  H      -3.912739      1.693795      1.073035
  H      -6.272751     -2.220866      1.036474
  H      -5.970238     -4.478306      2.071549
  H      -4.027771     -4.905804      3.572873
  H      -2.402005     -3.140905      4.054577
  H      -3.239711     -0.642098      7.261610
  H      -3.923624      0.412730      6.044390
  H      -4.361147      1.322442      8.916852
  H      -6.664739      0.992200      8.650151
  H      -5.932984     -2.497199      4.636351
  H     -10.377106     -1.378045      4.405977
  H     -11.804563      0.361348      5.496061
  H     -10.818776      1.913175      7.174230
  H      -8.447892      1.724241      7.815980
  N      -3.230200      2.744320      4.628491
  H      -4.224237      2.417405      4.615278
  H      -3.016434      3.161820      3.715706
92
Coordinates from ORCA-job orca E -6200.559378386607
  N      -2.479021      4.541245      7.048545
  Mo     -2.026372      2.838540      6.130400
  N      -2.439857      1.327445      7.279267
  C      -1.606601      1.031868      8.447091
  C      -0.912355      2.297253      8.927606
  N      -0.391058      3.039878      7.753801
  C      -0.239901      4.494270      8.000178
  C      -1.612202      5.135056      8.060266
  C       0.860307      2.449777      7.221503
  C       0.945368      2.773751      5.738148
  N      -0.368479      2.535951      5.133009
  H      -1.516561      6.225697      7.909201
  H      -2.068140      5.001389      9.061409
  H       0.328505      4.908143      7.156444
  H       0.335297      4.682733      8.922716
  H       1.710641      2.139022      5.265757
  H       1.256966      3.819945      5.573564
  H       0.795938      1.360704      7.346728
  H       1.736892      2.814621      7.783877
  H      -2.219972      0.626239      9.269362
  H      -0.874770      0.243286      8.187354
  H      -1.645217      2.942323      9.429810
  H      -0.104094      2.071487      9.644040
  C      -3.859292      5.049263      7.164194
  C      -4.875970      4.163225      6.523756
  C      -5.851105      4.561476      5.691065
  C      -6.713058      3.608494      4.982161
  N      -6.147343      2.464145      4.580057
  C      -6.893641      1.619429      3.822148
  N      -8.136981      1.793181      3.424304
  C      -8.758666      2.928860      3.859039
  C     -10.112556      3.150520      3.509438
  C     -10.765830      4.277239      3.963125
  C     -10.097298      5.223834      4.776708
  C      -8.774237      5.039425      5.122302
  C      -8.076120      3.893993      4.666647
  C      -0.362903      1.704874      3.909075
  C      -0.426690      0.245504      4.251795
  C      -1.327335     -0.681925      3.858809
  C      -2.483428     -0.534543      2.972167
  N      -2.668625      0.620657      2.324587
  C      -3.768967      0.743288      1.547600
  N      -4.698846     -0.162363      1.313125
  C      -4.522423     -1.371939      1.923659
  C      -5.466022     -2.398118      1.671980
  C      -5.313189     -3.637709      2.254381
  C      -4.224644     -3.889587      3.121773
  C      -3.298631     -2.902858      3.395752
  C      -3.412439     -1.621218      2.797876
  C      -3.568286      0.400718      7.109098
  C      -4.691686      0.786474      8.031654
  C      -6.013489      0.573356      7.876675
  C      -6.641914     -0.211863      6.817938
  N      -5.898663     -1.135720      6.200916
  C      -6.512710     -1.910914      5.273753
  N      -7.783655     -1.891964      4.916785
  C      -8.559685     -0.935095      5.506934
  C      -9.920823     -0.825952      5.130914
  C     -10.707197      0.172361      5.664647
  C     -10.167949      1.097264      6.589442
  C      -8.850683      1.001965      6.988851
  C      -8.020613     -0.024190      6.471664
  H      -3.921219      6.072672      6.752030
  H      -4.094549      5.126294      8.246403
  H      -4.830417      3.102296      6.791266
  H      -5.986222      5.624269      5.470604
  H      -6.389249      0.705591      3.495772
  H     -10.610965      2.403896      2.890321
  H     -11.811007      4.444123      3.697495
  H     -10.635640      6.104128      5.130715
  H      -8.266858      5.766219      5.758173
  H       0.569548      1.913389      3.353537
  H      -1.204788      1.970847      3.264332
  H       0.350079     -0.095519      4.945872
  H      -1.184347     -1.680303      4.272550
  H      -3.892032      1.713220      1.054103
  H      -6.300826     -2.171557      1.008029
  H      -6.038872     -4.427866      2.056565
  H      -4.118742     -4.873284      3.581366
  H      -2.474787     -3.127661      4.071735
  H      -3.232899     -0.634217      7.308816
  H      -3.905287      0.395997      6.064518
  H      -4.383736      1.369520      8.905872
  H      -6.682353      1.015921      8.616762
  H      -5.872508     -2.648257      4.782063
  H     -10.307074     -1.534080      4.397066
  H     -11.751945      0.263193      5.363173
  H     -10.798962      1.895471      6.983084
  H      -8.444491      1.731635      7.689720
  N      -3.231804      2.736178      4.642395
  H      -4.227395      2.412981      4.633701
  H      -3.017990      3.144260      3.725351
92
Coordinates from ORCA-job orca E -6200.559490919906
  N      -2.489054      4.533699      7.053805
  Mo     -2.030334      2.838215      6.124743
  N      -2.441015      1.319185      7.264217
  C      -1.608291      1.017032      8.430761
  C      -0.917258      2.280541      8.920433
  N      -0.396805      3.032926      7.752454
  C      -0.250618      4.486335      8.007995
  C      -1.624868      5.122939      8.070503
  C       0.857352      2.450486      7.218489
  C       0.943398      2.783068      5.737270
  N      -0.369192      2.544888      5.129815
  H      -1.532167      6.214906      7.927365
  H      -2.081527      4.980991      9.070202
  H       0.317123      4.906834      7.167079
  H       0.323348      4.671351      8.932011
  H       1.710578      2.152599      5.262313
  H       1.252451      3.830889      5.578299
  H       0.796504      1.360510      7.337298
  H       1.731779      2.814988      7.784402
  H      -2.222152      0.605064      9.249518
  H      -0.875092      0.231285      8.166383
  H      -1.652045      2.920203      9.426647
  H      -0.109049      2.051651      9.635933
  C      -3.871363      5.035764      7.172655
  C      -4.885449      4.149383      6.528307
  C      -5.862166      4.548164      5.697751
  C      -6.721135      3.596117      4.983756
  N      -6.155961      2.448976      4.588841
  C      -6.899295      1.604671      3.827500
  N      -8.138243      1.782438      3.417910
  C      -8.759313      2.921662      3.844222
  C     -10.109207      3.147744      3.482165
  C     -10.762509      4.277283      3.928647
  C     -10.098023      5.222467      4.747194
  C      -8.778820      5.033760      5.104897
  C      -8.080789      3.885208      4.656997
  C      -0.359386      1.719013      3.902146
  C      -0.407489      0.257717      4.239432
  C      -1.299558     -0.678473      3.847239
  C      -2.462299     -0.542799      2.967315
  N      -2.665950      0.610903      2.322556
  C      -3.774101      0.721662      1.554886
  N      -4.696052     -0.193948      1.327984
  C      -4.500803     -1.401996      1.935764
  C      -5.435498     -2.438243      1.692347
  C      -5.262954     -3.676832      2.271287
  C      -4.162817     -3.917803      3.127053
  C      -3.245786     -2.920862      3.393964
  C      -3.380001     -1.639812      2.799160
  C      -3.571378      0.395390      7.090783
  C      -4.686544      0.770882      8.027576
  C      -6.010541      0.567056      7.879544
  C      -6.652952     -0.188095      6.807496
  N      -5.917290     -1.090571      6.151174
  C      -6.543594     -1.836648      5.208320
  N      -7.819306     -1.807992      4.869699
  C      -8.588225     -0.872135      5.501336
  C      -9.954800     -0.753587      5.148626
  C     -10.735216      0.224605      5.726517
  C     -10.184288      1.119545      6.673586
  C      -8.861036      1.014546      7.050000
  C      -8.036648      0.008174      6.487014
  H      -3.937429      6.061367      6.766647
  H      -4.106507      5.105616      8.255413
  H      -4.835904      3.086685      6.789965
  H      -5.999690      5.611515      5.481449
  H      -6.395665      0.687811      3.508242
  H     -10.604819      2.402060      2.859713
  H     -11.804623      4.447558      3.653375
  H     -10.636382      6.105142      5.095134
  H      -8.274419      5.759577      5.744220
  H       0.569556      1.938798      3.345116
  H      -1.205496      1.979998      3.261022
  H       0.375362     -0.077427      4.929493
  H      -1.143599     -1.676150      4.257985
  H      -3.912215      1.690495      1.063279
  H      -6.279120     -2.220272      1.036744
  H      -5.981577     -4.474845      2.079471
  H      -4.041258     -4.900893      3.584056
  H      -2.413294     -3.136946      4.062185
  H      -3.235649     -0.642268      7.275090
  H      -3.916079      0.404141      6.048681
  H      -4.368913      1.335097      8.910635
  H      -6.670577      0.994732      8.636150
  H      -5.909680     -2.557165      4.684670
  H     -10.350492     -1.438296      4.397795
  H     -11.784460      0.322778      5.443595
  H     -10.810981      1.902770      7.102578
  H      -8.446062      1.721767      7.768514
  N      -3.233612      2.742552      4.634483
  H      -4.228079      2.416289      4.622720
  H      -3.020230      3.157160      3.720255
92
Coordinates from ORCA-job orca E -6200.559475279802
  N      -2.490744      4.531849      7.054845
  Mo     -2.031743      2.836405      6.125480
  N      -2.440583      1.317510      7.265947
  C      -1.607264      1.015967      8.432235
  C      -0.916317      2.279960      8.921196
  N      -0.397049      3.032264      7.752796
  C      -0.251587      4.485901      8.007427
  C      -1.626341      5.121357      8.071191
  C       0.856949      2.449576      7.218615
  C       0.942522      2.781295      5.737268
  N      -0.370634      2.543447      5.130776
  H      -1.534769      6.213481      7.928553
  H      -2.081973      4.978398      9.071197
  H       0.314959      4.906407      7.165723
  H       0.323085      4.671961      8.930810
  H       1.709250      2.150643      5.261900
  H       1.251531      3.829032      5.577747
  H       0.795843      1.359642      7.337758
  H       1.731577      2.813996      7.784260
  H      -2.220886      0.604493      9.251422
  H      -0.874267      0.229993      8.167967
  H      -1.651165      2.919224      9.427788
  H      -0.107552      2.051657      9.636220
  C      -3.873487      5.031754      7.174869
  C      -4.885529      4.142379      6.531753
  C      -5.862605      4.537859      5.700244
  C      -6.712268      3.581672      4.981126
  N      -6.134754      2.442754      4.580198
  C      -6.868106      1.595749      3.812348
  N      -8.107728      1.764038      3.400716
  C      -8.740896      2.894597      3.832330
  C     -10.091977      3.109848      3.468121
  C     -10.757372      4.230202      3.919851
  C     -10.104203      5.176781      4.745846
  C      -8.784106      4.998748      5.105706
  C      -8.073810      3.859764      4.652611
  C      -0.362587      1.719850      3.901490
  C      -0.408786      0.257695      4.235370
  C      -1.302162     -0.677685      3.843995
  C      -2.470618     -0.539328      2.972151
  N      -2.682622      0.619026      2.338470
  C      -3.796822      0.732663      1.580039
  N      -4.717458     -0.183968      1.352232
  C      -4.513461     -1.396714      1.947701
  C      -5.445679     -2.434351      1.700842
  C      -5.264059     -3.677784      2.266451
  C      -4.157077     -3.922406      3.112265
  C      -3.242214     -2.924331      3.382410
  C      -3.385600     -1.638193      2.800843
  C      -3.572418      0.395150      7.095323
  C      -4.684560      0.771870      8.035269
  C      -6.009378      0.573998      7.887509
  C      -6.654838     -0.171383      6.810627
  N      -5.922069     -1.070984      6.147239
  C      -6.550408     -1.806793      5.197804
  N      -7.825881     -1.770955      4.858960
  C      -8.591857     -0.837709      5.498037
  C      -9.957685     -0.710981      5.145312
  C     -10.734479      0.266146      5.729786
  C     -10.180543      1.152007      6.683603
  C      -8.858061      1.038736      7.060238
  C      -8.037549      0.032805      6.490840
  H      -3.941903      6.056706      6.767590
  H      -4.107903      5.102243      8.257699
  H      -4.832226      3.079596      6.793318
  H      -6.004160      5.600690      5.484070
  H      -6.354895      0.685458      3.489266
  H     -10.578733      2.363270      2.839792
  H     -11.800381      4.392034      3.642926
  H     -10.652056      6.051949      5.097871
  H      -8.288418      5.725434      5.750801
  H       0.564553      1.941907      3.342319
  H      -1.210456      1.981460      3.262895
  H       0.377272     -0.079150      4.920908
  H      -1.142877     -1.676961      4.249549
  H      -3.941680      1.705217      1.097781
  H      -6.294695     -2.213569      1.053212
  H      -5.980815     -4.476814      2.071947
  H      -4.028277     -4.909360      3.558803
  H      -2.403877     -3.143723      4.042200
  H      -3.237768     -0.643173      7.277664
  H      -3.920016      0.405728      6.054178
  H      -4.363619      1.331807      8.919836
  H      -6.667434      1.000260      8.646618
  H      -5.918602     -2.524962      4.668444
  H     -10.355634     -1.388310      4.389013
  H     -11.783065      0.370783      5.446782
  H     -10.804263      1.934867      7.117547
  H      -8.440420      1.739252      7.783732
  N      -3.236291      2.739456      4.636273
  H      -4.229596      2.410483      4.625917
  H      -3.024510      3.153999      3.721656
92
Coordinates from ORCA-job orca E -6200.559495975411
  N      -2.488755      4.534825      7.053491
  Mo     -2.031098      2.838469      6.125125
  N      -2.441238      1.320228      7.265828
  C      -1.608635      1.018520      8.432555
  C      -0.916827      2.282050      8.921078
  N      -0.396563      3.033430      7.752431
  C      -0.249811      4.487009      8.006602
  C      -1.623839      5.124027      8.069602
  C       0.857085      2.449844      7.218533
  C       0.942924      2.780948      5.737020
  N      -0.370202      2.543571      5.130361
  H      -1.530972      6.215961      7.926350
  H      -2.079932      4.982285      9.069592
  H       0.317324      4.906535      7.164783
  H       0.324929      4.672850      8.929974
  H       1.709209      2.149256      5.262259
  H       1.252884      3.828312      5.576832
  H       0.795473      1.360005      7.338252
  H       1.731884      2.814157      7.783985
  H      -2.222850      0.607728      9.251634
  H      -0.876110      0.231962      8.168724
  H      -1.651120      2.922297      9.427267
  H      -0.108408      2.053257      9.636370
  C      -3.870836      5.037259      7.172829
  C      -4.885288      4.149738      6.530694
  C      -5.862372      4.546967      5.699901
  C      -6.718610      3.593332      4.984962
  N      -6.149662      2.448609      4.588453
  C      -6.890113      1.603188      3.825591
  N      -8.129349      1.777880      3.415571
  C      -8.754137      2.914500      3.843378
  C     -10.104512      3.137059      3.480913
  C     -10.761551      4.263794      3.928958
  C     -10.100464      5.209656      4.749484
  C      -8.780870      5.024455      5.107547
  C      -8.079006      3.878855      4.658017
  C      -0.361683      1.717331      3.902811
  C      -0.409990      0.256068      4.240397
  C      -1.302542     -0.679926      3.848708
  C      -2.465922     -0.544016      2.969612
  N      -2.670727      0.610442      2.326586
  C      -3.779376      0.721503      1.559698
  N      -4.700802     -0.194405      1.331998
  C      -4.504120     -1.403356      1.937497
  C      -5.437560     -2.440232      1.691959
  C      -5.263200     -3.679959      2.267884
  C      -4.162615     -3.921392      3.122937
  C      -3.246739     -2.923907      3.391839
  C      -3.382675     -1.641670      2.799947
  C      -3.571824      0.396620      7.092977
  C      -4.686543      0.771871      8.030394
  C      -6.010590      0.569494      7.881426
  C      -6.652633     -0.181388      6.806242
  N      -5.915985     -1.079764      6.145461
  C      -6.541265     -1.821182      5.198295
  N      -7.816921     -1.791966      4.859559
  C      -8.586960     -0.860325      5.496089
  C      -9.953541     -0.741209      5.143632
  C     -10.734881      0.233537      5.726037
  C     -10.184839      1.124527      6.677330
  C      -8.861598      1.018809      7.053559
  C      -8.036387      0.015526      6.486296
  H      -3.937213      6.062207      6.765239
  H      -4.105111      5.108813      8.255661
  H      -4.834668      3.087229      6.793181
  H      -6.000940      5.610033      5.482867
  H      -6.383512      0.688325      3.505205
  H     -10.597500      2.390909      2.856942
  H     -11.804037      4.431290      3.653403
  H     -10.641774      6.090043      5.098625
  H      -8.279076      5.750689      5.748432
  H       0.566704      1.936962      3.344800
  H      -1.208384      1.978447      3.262509
  H       0.373448     -0.079366      4.929651
  H      -1.146161     -1.677761      4.258861
  H      -3.918498      1.690981      1.069659
  H      -6.281658     -2.221827      1.037124
  H      -5.980873     -4.478440      2.074468
  H      -4.039573     -4.905396      3.577552
  H      -2.413544     -3.140701      4.058925
  H      -3.236146     -0.641165      7.276610
  H      -3.917085      0.405935      6.051070
  H      -4.368449      1.333862      8.914697
  H      -6.670768      0.995068      8.639096
  H      -5.906456     -2.538257      4.671006
  H     -10.348468     -1.422445      4.389258
  H     -11.784105      0.332296      5.443268
  H     -10.812236      1.905292      7.109766
  H      -8.447268      1.723077      7.775328
  N      -3.235621      2.741959      4.635973
  H      -4.229974      2.415643      4.625718
  H      -3.023333      3.156014      3.721246
92
Coordinates from ORCA-job orca E -6200.559496316505
  N      -2.488783      4.534083      7.053428
  Mo     -2.030570      2.837830      6.125152
  N      -2.440537      1.319122      7.265261
  C      -1.608117      1.017370      8.432098
  C      -0.916672      2.280995      8.921034
  N      -0.396511      3.032832      7.752652
  C      -0.250160      4.486361      8.007360
  C      -1.624344      5.123093      8.070080
  C       0.857334      2.449720      7.218644
  C       0.943324      2.781535      5.737289
  N      -0.369604      2.543991      5.130243
  H      -1.531592      6.215084      7.927166
  H      -2.080806      4.981004      9.069851
  H       0.317210      4.906350      7.165933
  H       0.324194      4.671939      8.931027
  H       1.709954      2.150353      5.262405
  H       1.252967      3.829084      5.577688
  H       0.795932      1.359816      7.337867
  H       1.732008      2.813960      7.784347
  H      -2.222391      0.606360      9.251034
  H      -0.875397      0.230974      8.168317
  H      -1.651164      2.920943      9.427307
  H      -0.108271      2.052231      9.636359
  C      -3.870795      5.037028      7.171878
  C      -4.885293      4.149633      6.529577
  C      -5.862104      4.547008      5.698479
  C      -6.719176      3.593708      4.984013
  N      -6.151258      2.448381      4.587780
  C      -6.892328      1.603465      3.824949
  N      -8.131462      1.779015      3.415039
  C      -8.755392      2.916099      3.842861
  C     -10.105689      3.139504      3.480650
  C     -10.761850      4.266795      3.928606
  C     -10.099907      5.212377      4.748759
  C      -8.780367      5.026326      5.106597
  C      -8.079424      3.880115      4.657236
  C      -0.360816      1.718613      3.902166
  C      -0.408555      0.257100      4.238727
  C      -1.301460     -0.678766      3.847482
  C      -2.466545     -0.542348      2.970715
  N      -2.674100      0.613293      2.330691
  C      -3.784713      0.724904      1.566728
  N      -4.705848     -0.191391      1.339387
  C      -4.506517     -1.401424      1.941860
  C      -5.439845     -2.438532      1.696874
  C      -5.263030     -3.679214      2.270002
  C      -4.159932     -3.921464      3.121582
  C      -3.244149     -2.923757      3.390013
  C      -3.382697     -1.640479      2.801007
  C      -3.571220      0.395668      7.092260
  C      -4.686141      0.771636      8.029151
  C      -6.010236      0.569277      7.880161
  C      -6.652307     -0.183488      6.806264
  N      -5.916499     -1.085023      6.148802
  C      -6.542201     -1.828708      5.203701
  N      -7.817706     -1.799196      4.864401
  C      -8.586915     -0.864614      5.497603
  C      -9.953238     -0.745150      5.144274
  C     -10.733645      0.232516      5.723031
  C     -10.182936      1.126055      6.671544
  C      -8.859987      1.020010      7.048724
  C      -8.035701      0.013916      6.485099
  H      -3.936605      6.061819      6.763795
  H      -4.105530      5.109205      8.254563
  H      -4.834841      3.087126      6.792200
  H      -6.000314      5.610098      5.481330
  H      -6.386458      0.688159      3.504677
  H     -10.599308      2.393584      2.856902
  H     -11.804275      4.434971      3.653238
  H     -10.640512      6.093232      5.097809
  H      -8.277925      5.752379      5.747187
  H       0.567436      1.938922      3.344203
  H      -1.207676      1.979801      3.262102
  H       0.375704     -0.078735      4.926840
  H      -1.144248     -1.676909      4.256592
  H      -3.925945      1.695274      1.079056
  H      -6.285883     -2.219505      1.044761
  H      -5.980612     -4.477868      2.076987
  H      -4.034934     -4.906230      3.574004
  H      -2.409087     -3.141137      4.054586
  H      -3.235851     -0.642128      7.276397
  H      -3.916161      0.404729      6.050271
  H      -4.368205      1.334757      8.912790
  H      -6.670489      0.996440      8.636861
  H      -5.907971     -2.548146      4.678934
  H     -10.348671     -1.428460      4.392045
  H     -11.782645      0.331543      5.439525
  H     -10.809588      1.909005      7.101101
  H      -8.445138      1.726176      7.768340
  N      -3.234692      2.741240      4.635779
  H      -4.229300      2.415343      4.625161
  H      -3.021912      3.154958      3.721001
92
Coordinates from ORCA-job orca E -6200.559497155963
  N      -2.488795      4.534420      7.053389
  Mo     -2.030789      2.837828      6.125539
  N      -2.440420      1.319362      7.266056
  C      -1.608063      1.017891      8.432997
  C      -0.916503      2.281602      8.921490
  N      -0.396481      3.033110      7.752846
  C      -0.250057      4.486707      8.007099
  C      -1.624193      5.123511      8.069865
  C       0.857256      2.449779      7.218843
  C       0.943121      2.781120      5.737383
  N      -0.369920      2.543681      5.130539
  H      -1.531396      6.215483      7.926839
  H      -2.080549      4.981568      9.069709
  H       0.317132      4.906400      7.165398
  H       0.324502      4.672588      8.930577
  H       1.709536      2.149574      5.262626
  H       1.252995      3.828536      5.577361
  H       0.795780      1.359916      7.338410
  H       1.732013      2.814120      7.784350
  H      -2.222433      0.607243      9.252041
  H      -0.875470      0.231298      8.169454
  H      -1.650865      2.921725      9.427733
  H      -0.107999      2.052970      9.636744
  C      -3.870652      5.037764      7.171672
  C      -4.885392      4.150137      6.530095
  C      -5.862148      4.547084      5.698759
  C      -6.718725      3.593372      4.984304
  N      -6.150218      2.448233      4.588392
  C      -6.890788      1.602882      3.825554
  N      -8.129868      1.777907      3.415254
  C      -8.754356      2.914825      3.842703
  C     -10.104646      3.137648      3.480093
  C     -10.761364      4.264756      3.927688
  C     -10.100011      5.210738      4.747861
  C      -8.780500      5.025254      5.106090
  C      -8.078989      3.879240      4.657102
  C      -0.361288      1.718049      3.902589
  C      -0.409767      0.256635      4.239485
  C      -1.302840     -0.678971      3.847998
  C      -2.467026     -0.542446      2.970037
  N      -2.673204      0.612856      2.328967
  C      -3.782865      0.724549      1.563643
  N      -4.704274     -0.191374      1.335917
  C      -4.506287     -1.401113      1.939420
  C      -5.439848     -2.437901      1.693967
  C      -5.264299     -3.678336      2.268011
  C      -4.162303     -3.920624      3.121005
  C      -3.246308     -2.923227      3.389873
  C      -3.383539     -1.640225      2.799956
  C      -3.571043      0.395791      7.093173
  C      -4.685899      0.771573      8.030213
  C      -6.009985      0.569207      7.881232
  C      -6.652032     -0.183033      6.806966
  N      -5.915919     -1.083508      6.148405
  C      -6.541433     -1.826393      5.202547
  N      -7.816983     -1.796998      4.863418
  C      -8.586506     -0.863436      5.497753
  C      -9.952913     -0.744138      5.144705
  C     -10.733634      0.232607      5.724590
  C     -10.183149      1.125366      6.673965
  C      -8.860111      1.019451      7.050868
  C      -8.035526      0.014228      6.486145
  H      -3.936274      6.062301      6.762932
  H      -4.105259      5.110711      8.254334
  H      -4.834947      3.087765      6.793212
  H      -6.000327      5.610067      5.481031
  H      -6.384475      0.687718      3.505568
  H     -10.597819      2.391432      2.856347
  H     -11.803782      4.432476      3.652015
  H     -10.641057      6.091442      5.096611
  H      -8.278511      5.751590      5.746716
  H       0.567168      1.937890      3.344790
  H      -1.207949      1.979466      3.262366
  H       0.373964     -0.079356      4.928127
  H      -1.146421     -1.677000      4.257679
  H      -3.922958      1.694633      1.075067
  H      -6.285038     -2.218825      1.040770
  H      -5.982059     -4.476749      2.074655
  H      -4.038300     -4.905188      3.574143
  H      -2.412092     -3.140673      4.055478
  H      -3.235530     -0.641970      7.277264
  H      -3.916083      0.404812      6.051215
  H      -4.367896      1.334365      8.914038
  H      -6.670239      0.995943      8.638172
  H      -5.906957     -2.544949      4.676870
  H     -10.348163     -1.426792      4.391783
  H     -11.782706      0.331532      5.441315
  H     -10.810043      1.907642      7.104400
  H      -8.445451      1.725060      7.771142
  N      -3.235377      2.740744      4.636607
  H      -4.229873      2.414582      4.626345
  H      -3.022923      3.154034      3.721560
