99
Coordinates from ORCA-job orca E -6652.664226898169
  N      -2.407235      3.252236      5.889948
  Mo     -2.668902      1.418142      5.083082
  N      -3.173405      0.380114      6.685714
  C      -2.203678      0.069266      7.718746
  C      -1.207800      1.209383      7.898610
  N      -0.575864      1.580259      6.630962
  C      -0.103499      2.959137      6.639984
  C      -1.081936      3.809732      5.794561
  C       0.433527      0.630776      6.170825
  C       0.111598      0.365895      4.686990
  N      -1.290406      0.059210      4.667310
  H      -0.752128      3.789390      4.750520
  H      -1.044772      4.849726      6.135980
  H       0.895539      3.034935      6.208737
  H      -0.066114      3.348390      7.661829
  H       0.730635     -0.442413      4.282772
  H       0.305535      1.278952      4.107584
  H       0.338900     -0.309299      6.718853
  H       1.449428      1.013329      6.300299
  H      -2.691412     -0.105257      8.686227
  H      -1.678245     -0.862664      7.447490
  H      -1.768118      2.074647      8.262491
  H      -0.451552      0.931760      8.645317
  C      -3.304953      4.084298      6.648592
  C      -3.634949      5.439212      5.956933
  O      -4.789723      5.334207      5.124228
  C      -4.629962      5.179204      3.791816
  O      -3.544908      5.275441      3.231829
  C      -5.914825      4.919573      3.121740
  N      -6.746118      4.077165      3.739609
  C      -7.913478      3.859977      3.144330
  N      -8.360992      4.387261      2.037108
  C      -7.548486      5.265163      1.396037
  C      -7.992780      5.878189      0.213774
  C      -7.177156      6.767094     -0.439666
  C      -5.903615      7.069489      0.060764
  C      -5.444340      6.484750      1.214371
  C      -6.252990      5.568061      1.906666
  C      -1.613876     -1.326708      4.483880
  C      -1.982344     -1.608896      2.999854
  O      -2.344185     -0.409134      2.323098
  C      -3.367406      0.331533      2.853293
  O      -4.034545     -0.124666      3.816356
  C      -3.894557      1.297755      1.878319
  N      -5.168922      1.645341      2.101815
  C      -5.731815      2.522968      1.280895
  N      -5.182125      3.111950      0.259285
  C      -3.896412      2.778620     -0.019276
  C      -3.280093      3.396343     -1.121685
  C      -1.993305      3.071886     -1.461250
  C      -1.288406      2.122403     -0.712447
  C      -1.864738      1.509120      0.371903
  C      -3.184372      1.816991      0.759142
  C      -4.350632     -0.436160      6.837303
  C      -5.341897      0.064006      7.908976
  O      -5.828421      1.370047      7.624747
  C      -6.794506      1.491464      6.695105
  O      -7.208005      0.546123      6.031285
  C      -7.309861      2.865281      6.654123
  N      -6.467516      3.797966      7.097715
  C      -6.927713      5.044366      7.146095
  N      -8.110004      5.471964      6.802379
  C      -8.996043      4.549524      6.360035
  C     -10.293673      4.958907      6.005077
  C     -11.216894      4.030002      5.599554
  C     -10.880140      2.670563      5.536436
  C      -9.618057      2.242575      5.865689
  C      -8.643497      3.170177      6.275391
  H      -2.864634      4.336156      7.626867
  H      -4.255548      3.570868      6.815626
  H      -2.800399      5.788813      5.339194
  H      -3.887667      6.194706      6.702575
  H      -8.562346      3.144863      3.636378
  H      -8.977015      5.628943     -0.148397
  H      -7.515724      7.241806     -1.347072
  H      -5.277017      7.770966     -0.467450
  H      -4.458779      6.706999      1.595215
  H      -2.480195     -1.577825      5.106879
  H      -0.774241     -1.976288      4.758780
  H      -2.809157     -2.324784      2.937922
  H      -1.126683     -1.976213      2.430646
  H      -6.758220      2.750527      1.492200
  H      -3.858395      4.115602     -1.679158
  H      -1.521473      3.542704     -2.309329
  H      -0.277058      1.871054     -0.990986
  H      -1.303252      0.777943      0.927582
  H      -4.891599     -0.465076      5.887238
  H      -4.084642     -1.467208      7.120839
  H      -6.184622     -0.633695      7.955925
  H      -4.872409      0.159278      8.889167
  H      -6.235085      5.785323      7.524262
  H     -10.530233      6.008349      6.075364
  H     -12.215015      4.340228      5.333581
  H     -11.622603      1.952216      5.225753
  H      -9.355350      1.197008      5.809384
  N      -2.466932      2.263566      3.138509
  H      -3.333052      2.677676      2.796879
  H      -2.187792      1.578325      2.437876
  H      -1.767836      3.004001      3.101322
99
Coordinates from ORCA-job orca E -6652.732565542456
  N      -2.405844      3.259299      5.969840
  Mo     -2.646860      1.431563      5.143897
  N      -3.155366      0.359249      6.723040
  C      -2.184740      0.043471      7.758869
  C      -1.200912      1.193441      7.965823
  N      -0.560723      1.592676      6.706254
  C      -0.101442      2.977880      6.736455
  C      -1.080777      3.828355      5.892889
  C       0.461369      0.658738      6.239705
  C       0.149194      0.412445      4.752254
  N      -1.253311      0.090265      4.716520
  H      -0.738085      3.821720      4.850397
  H      -1.056797      4.866663      6.244671
  H       0.901422      3.068242      6.312819
  H      -0.074250      3.354769      7.764906
  H       0.778308     -0.385163      4.338939
  H       0.339488      1.336873      4.187251
  H       0.372303     -0.291284      6.774396
  H       1.474568      1.049571      6.381965
  H      -2.677974     -0.153542      8.720748
  H      -1.645323     -0.878743      7.475903
  H      -1.773067      2.047887      8.340247
  H      -0.446072      0.911397      8.714841
  C      -3.325017      4.076319      6.726722
  C      -3.649204      5.438870      6.044402
  O      -4.786832      5.356239      5.178795
  C      -4.584076      5.226616      3.848985
  O      -3.481485      5.319365      3.323303
  C      -5.851931      4.983363      3.127397
  N      -6.699073      4.136502      3.715325
  C      -7.855067      3.913394      3.085216
  N      -8.271584      4.445313      1.962361
  C      -7.439567      5.328653      1.348945
  C      -7.853864      5.938516      0.150398
  C      -7.024430      6.830696     -0.483851
  C      -5.764296      7.143280      0.052787
  C      -5.331993      6.566811      1.223013
  C      -6.155621      5.639555      1.899901
  C      -1.564640     -1.299339      4.510643
  C      -1.935078     -1.598114      3.030847
  O      -2.327603     -0.418273      2.333117
  C      -3.357179      0.312691      2.860357
  O      -3.993415     -0.120800      3.848597
  C      -3.942564      1.217143      1.830969
  N      -5.224588      1.493928      2.102449
  C      -5.892233      2.303637      1.283326
  N      -5.433886      2.893708      0.213061
  C      -4.143346      2.632098     -0.121569
  C      -3.636369      3.258775     -1.275417
  C      -2.349807      3.011715     -1.684775
  C      -1.537043      2.131694     -0.952970
  C      -2.004844      1.511914      0.184276
  C      -3.321545      1.741458      0.645914
  C      -4.334630     -0.467818      6.836241
  C      -5.348853      0.000074      7.899652
  O      -5.835409      1.315760      7.637851
  C      -6.778460      1.463104      6.685219
  O      -7.169539      0.540511      5.980789
  C      -7.296371      2.845620      6.665170
  N      -6.473227      3.767409      7.162690
  C      -6.935758      5.019381      7.228462
  N      -8.110267      5.456973      6.852184
  C      -8.977333      4.541019      6.352966
  C     -10.264534      4.957959      5.958749
  C     -11.170659      4.036977      5.492606
  C     -10.826870      2.676540      5.405366
  C      -9.574982      2.240852      5.771530
  C      -8.617204      3.160830      6.245027
  H      -2.903365      4.321065      7.716757
  H      -4.274695      3.551513      6.873307
  H      -2.800934      5.798246      5.450159
  H      -3.919611      6.182918      6.798149
  H      -8.517675      3.192554      3.560304
  H      -8.828838      5.681725     -0.240430
  H      -7.341301      7.301823     -1.404939
  H      -5.126507      7.850040     -0.461613
  H      -4.356721      6.807462      1.623373
  H      -2.429007     -1.564679      5.130806
  H      -0.714564     -1.937367      4.785239
  H      -2.751118     -2.328782      2.985051
  H      -1.076651     -1.958860      2.459167
  H      -6.925005      2.471972      1.545535
  H      -4.301322      3.924619     -1.813156
  H      -1.960342      3.489569     -2.574018
  H      -0.525601      1.940271     -1.286382
  H      -1.357285      0.837346      0.723421
  H      -4.858627     -0.475606      5.875610
  H      -4.068406     -1.505763      7.098486
  H      -6.188613     -0.704782      7.910188
  H      -4.901214      0.072744      8.893747
  H      -6.253614      5.752023      7.650957
  H     -10.507334      6.008021      6.047749
  H     -12.161757      4.353867      5.195997
  H     -11.557077      1.963504      5.045797
  H      -9.307305      1.195293      5.696240
  N      -2.352786      2.387218      3.261468
  H      -3.198760      2.823455      2.912665
  H      -2.037996      1.756769      2.532966
  H      -1.646914      3.129002      3.307366
99
Coordinates from ORCA-job orca E -6652.766056138091
  N      -2.355293      3.256800      5.960552
  Mo     -2.610109      1.433834      5.140364
  N      -3.158276      0.357054      6.709754
  C      -2.191053      0.027584      7.752055
  C      -1.193371      1.162501      7.976209
  N      -0.530208      1.562381      6.723503
  C      -0.058092      2.949022      6.760172
  C      -1.017589      3.812906      5.902028
  C       0.483784      0.613848      6.255199
  C       0.176541      0.384752      4.763216
  N      -1.234844      0.073779      4.706832
  H      -0.650612      3.804482      4.863125
  H      -0.988675      4.854249      6.252106
  H       0.954054      3.029394      6.348331
  H      -0.037843      3.322701      7.793241
  H       0.797682     -0.419018      4.343084
  H       0.388236      1.314079      4.208492
  H       0.378292     -0.341469      6.783731
  H       1.504647      0.991074      6.409430
  H      -2.695863     -0.167950      8.711379
  H      -1.660850     -0.903594      7.469799
  H      -1.756775      2.026049      8.349873
  H      -0.448590      0.866547      8.734725
  C      -3.300730      4.068938      6.703513
  C      -3.638590      5.427281      6.031359
  O      -4.777395      5.339423      5.153197
  C      -4.587717      5.222264      3.821821
  O      -3.497578      5.300670      3.268636
  C      -5.883937      4.986110      3.119801
  N      -6.714470      4.145371      3.733113
  C      -7.897189      3.906937      3.131293
  N      -8.343228      4.432157      2.008339
  C      -7.519533      5.308925      1.369863
  C      -7.964032      5.902205      0.167396
  C      -7.149942      6.786558     -0.501936
  C      -5.873038      7.111671      0.004853
  C      -5.410184      6.556228      1.177955
  C      -6.217304      5.631062      1.890327
  C      -1.570664     -1.313625      4.482997
  C      -1.945721     -1.618278      3.003953
  O      -2.335468     -0.441625      2.288295
  C      -3.352361      0.298469      2.816312
  O      -3.971450     -0.096332      3.828450
  C      -3.923472      1.221710      1.785568
  N      -5.191918      1.543452      2.065166
  C      -5.834129      2.387538      1.243971
  N      -5.342622      2.980529      0.173602
  C      -4.057169      2.669333     -0.155481
  C      -3.504273      3.295592     -1.295947
  C      -2.219458      2.998546     -1.695752
  C      -1.451310      2.068432     -0.966157
  C      -1.961369      1.450798      0.159810
  C      -3.276310      1.731801      0.607689
  C      -4.359898     -0.455806      6.810899
  C      -5.366306      0.009938      7.880946
  O      -5.858117      1.338793      7.652853
  C      -6.824077      1.488844      6.719272
  O      -7.228185      0.573357      6.018881
  C      -7.352305      2.884857      6.706167
  N      -6.530296      3.817391      7.179056
  C      -6.994344      5.080792      7.232421
  N      -8.182630      5.510843      6.863953
  C      -9.050517      4.575103      6.389776
  C     -10.348583      4.979415      6.000236
  C     -11.255790      4.044414      5.553182
  C     -10.902842      2.678746      5.479392
  C      -9.641844      2.253250      5.840059
  C      -8.681900      3.189378      6.296383
  H      -2.894918      4.309685      7.704406
  H      -4.248783      3.531419      6.836762
  H      -2.787370      5.807951      5.452542
  H      -3.932528      6.158068      6.794984
  H      -8.549621      3.188545      3.635305
  H      -8.952620      5.635470     -0.199118
  H      -7.490796      7.244678     -1.428581
  H      -5.246341      7.817113     -0.537448
  H      -4.423255      6.817818      1.549086
  H      -2.439529     -1.571669      5.100739
  H      -0.726355     -1.961865      4.761377
  H      -2.770088     -2.343196      2.969629
  H      -1.090808     -1.994821      2.432430
  H      -6.868868      2.601749      1.510758
  H      -4.134886      4.005592     -1.829631
  H      -1.795233      3.477108     -2.576343
  H      -0.438872      1.837045     -1.291702
  H      -1.346261      0.736696      0.700929
  H      -4.882099     -0.453133      5.848602
  H      -4.104553     -1.501141      7.065238
  H      -6.211719     -0.692264      7.888520
  H      -4.908776      0.062651      8.875296
  H      -6.298102      5.825492      7.629472
  H     -10.598486      6.035294      6.076710
  H     -12.256959      4.354225      5.259404
  H     -11.636077      1.953098      5.132777
  H      -9.368185      1.204093      5.773494
  N      -2.193231      2.477244      3.277052
  H      -3.012922      2.955425      2.908037
  H      -1.854568      1.882239      2.522945
  H      -1.470305      3.200796      3.393271
99
Coordinates from ORCA-job orca E -6652.780536779789
  N      -2.334150      3.263807      5.981469
  Mo     -2.597093      1.437984      5.151225
  N      -3.158729      0.351001      6.728645
  C      -2.180464      0.018491      7.781004
  C      -1.172838      1.148214      8.017794
  N      -0.495235      1.557471      6.767298
  C      -0.026954      2.952417      6.814725
  C      -0.983555      3.826543      5.948973
  C       0.516797      0.602372      6.285838
  C       0.208848      0.383672      4.784158
  N      -1.216045      0.069360      4.708555
  H      -0.594154      3.827858      4.915739
  H      -0.962466      4.867992      6.304885
  H       0.990498      3.039503      6.411688
  H      -0.015623      3.315173      7.853804
  H       0.827851     -0.420171      4.356543
  H       0.430447      1.318535      4.239119
  H       0.405983     -0.358253      6.807621
  H       1.541395      0.974616      6.445915
  H      -2.689762     -0.177729      8.739882
  H      -1.653624     -0.916474      7.497713
  H      -1.732970      2.015082      8.393249
  H      -0.433129      0.844252      8.781132
  C      -3.305177      4.067699      6.718683
  C      -3.644647      5.426740      6.060692
  O      -4.777016      5.342886      5.162025
  C      -4.575971      5.242914      3.834250
  O      -3.487354      5.315708      3.279034
  C      -5.881657      5.017538      3.119965
  N      -6.709911      4.176308      3.728808
  C      -7.899841      3.928895      3.122699
  N      -8.345056      4.456446      1.994719
  C      -7.515563      5.334562      1.361817
  C      -7.958261      5.922764      0.151369
  C      -7.143623      6.806143     -0.521585
  C      -5.865591      7.138481     -0.008849
  C      -5.404153      6.592107      1.171655
  C      -6.212014      5.663252      1.887903
  C      -1.554651     -1.326713      4.464903
  C      -1.938096     -1.640753      2.984548
  O      -2.350566     -0.475182      2.246397
  C      -3.368881      0.262143      2.765332
  O      -3.971939     -0.109668      3.797185
  C      -3.955172      1.183813      1.734870
  N      -5.217726      1.501093      2.038590
  C      -5.879544      2.346700      1.224595
  N      -5.400170      2.949913      0.143030
  C      -4.116496      2.638771     -0.201272
  C      -3.572642      3.274471     -1.345581
  C      -2.289257      2.978649     -1.762331
  C      -1.511480      2.039957     -1.045134
  C      -2.010316      1.414191      0.085704
  C      -3.322643      1.695125      0.548835
  C      -4.372535     -0.465046      6.834071
  C      -5.371911     -0.000923      7.906911
  O      -5.866249      1.336642      7.691822
  C      -6.833485      1.484873      6.756402
  O      -7.231503      0.577215      6.048057
  C      -7.367491      2.892357      6.739629
  N      -6.558333      3.827928      7.220221
  C      -7.025889      5.099169      7.261198
  N      -8.214092      5.526315      6.871207
  C      -9.069200      4.579201      6.386767
  C     -10.364430      4.977310      5.969851
  C     -11.260738      4.036017      5.507115
  C     -10.899584      2.667231      5.443322
  C      -9.642165      2.246480      5.829999
  C      -8.692668      3.190888      6.305056
  H      -2.915806      4.297467      7.730616
  H      -4.252610      3.520335      6.833674
  H      -2.786182      5.823598      5.501852
  H      -3.958473      6.144249      6.831852
  H      -8.552859      3.208157      3.629989
  H      -8.948086      5.649684     -0.218554
  H      -7.483340      7.259513     -1.455553
  H      -5.237290      7.846192     -0.554096
  H      -4.417314      6.868840      1.539972
  H      -2.421968     -1.592775      5.081982
  H      -0.705295     -1.971133      4.743454
  H      -2.757418     -2.373693      2.964478
  H      -1.083030     -2.017320      2.410439
  H      -6.916449      2.562254      1.509839
  H      -4.211653      3.992845     -1.866428
  H      -1.872226      3.464970     -2.646844
  H      -0.499176      1.808999     -1.384110
  H      -1.387376      0.694435      0.617881
  H      -4.896773     -0.462160      5.872404
  H      -4.117460     -1.512764      7.085933
  H      -6.218788     -0.703703      7.914504
  H      -4.910049      0.045929      8.901777
  H      -6.332269      5.848251      7.664666
  H     -10.620802      6.036229      6.037636
  H     -12.260504      4.342866      5.191670
  H     -11.625553      1.935533      5.082479
  H      -9.363138      1.195734      5.769970
  N      -2.095114      2.559091      3.292319
  H      -2.898192      3.063044      2.911453
  H      -1.733706      1.994665      2.517223
  H      -1.368556      3.272215      3.455689
99
Coordinates from ORCA-job orca E -6652.790546362541
  N      -2.333782      3.250933      5.961103
  Mo     -2.573238      1.418034      5.158785
  N      -3.136592      0.350644      6.744244
  C      -2.158531      0.036204      7.792917
  C      -1.161186      1.169560      8.021558
  N      -0.477270      1.576511      6.777400
  C      -0.036799      2.976865      6.818047
  C      -0.998057      3.831443      5.942243
  C       0.538208      0.630173      6.291858
  C       0.234618      0.408799      4.792862
  N      -1.178916      0.070688      4.707706
  H      -0.590190      3.841119      4.918302
  H      -1.000747      4.874623      6.292804
  H       0.983313      3.076793      6.424953
  H      -0.039293      3.343257      7.855419
  H       0.862598     -0.387375      4.364531
  H       0.448249      1.344033      4.246821
  H       0.435901     -0.329607      6.816252
  H       1.559403      1.011604      6.452540
  H      -2.668058     -0.154044      8.752384
  H      -1.629485     -0.899514      7.519481
  H      -1.724831      2.038809      8.385607
  H      -0.426247      0.877058      8.793498
  C      -3.328189      4.028464      6.688850
  C      -3.696455      5.376800      6.040202
  O      -4.833471      5.277130      5.146768
  C      -4.634542      5.184990      3.822734
  O      -3.546473      5.227298      3.265216
  C      -5.952116      5.037364      3.100771
  N      -6.821446      4.217735      3.677174
  C      -8.008832      4.032651      3.044804
  N      -8.414866      4.608147      1.927277
  C      -7.537561      5.462785      1.328631
  C      -7.929572      6.092970      0.122169
  C      -7.063113      6.949447     -0.519006
  C      -5.782836      7.214225      0.025181
  C      -5.372091      6.626430      1.203360
  C      -6.233512      5.722365      1.882020
  C      -1.500271     -1.324748      4.472877
  C      -1.891825     -1.664482      3.002229
  O      -2.350315     -0.525650      2.243175
  C      -3.375720      0.187207      2.763401
  O      -3.934580     -0.158301      3.825791
  C      -3.999397      1.111111      1.758632
  N      -5.254624      1.415574      2.094224
  C      -5.942484      2.248433      1.290654
  N      -5.490621      2.863337      0.205770
  C      -4.210886      2.571291     -0.161203
  C      -3.689817      3.223744     -1.306406
  C      -2.411384      2.946282     -1.743891
  C      -1.613031      2.009289     -1.048447
  C      -2.086659      1.368218      0.082454
  C      -3.393548      1.632955      0.567423
  C      -4.347743     -0.461402      6.852419
  C      -5.338844     -0.009859      7.932316
  O      -5.841901      1.330103      7.740106
  C      -6.806269      1.476133      6.802840
  O      -7.182170      0.579514      6.069146
  C      -7.352881      2.881890      6.798414
  N      -6.568400      3.815873      7.315816
  C      -7.043012      5.084361      7.339552
  N      -8.214370      5.508124      6.904523
  C      -9.043100      4.559855      6.380571
  C     -10.316568      4.957641      5.903421
  C     -11.184431      4.019426      5.387220
  C     -10.814973      2.653690      5.327780
  C      -9.578060      2.233554      5.773005
  C      -8.658796      3.175673      6.306870
  H      -2.946282      4.261193      7.702305
  H      -4.259569      3.455109      6.807292
  H      -2.847807      5.801601      5.486865
  H      -4.027601      6.078829      6.816537
  H      -8.699133      3.332350      3.526477
  H      -8.922336      5.871083     -0.270749
  H      -7.362465      7.433925     -1.449971
  H      -5.113397      7.903466     -0.492298
  H      -4.384239      6.855679      1.599197
  H      -2.351956     -1.602987      5.106411
  H      -0.636563     -1.950607      4.747925
  H      -2.691165     -2.418846      3.004101
  H      -1.035375     -2.029163      2.423673
  H      -6.973318      2.455177      1.596574
  H      -4.341947      3.940281     -1.809860
  H      -2.013089      3.445219     -2.628768
  H      -0.605127      1.791631     -1.405701
  H      -1.450313      0.650252      0.596860
  H      -4.870684     -0.459936      5.889642
  H      -4.086920     -1.508519      7.098814
  H      -6.182650     -0.715586      7.939028
  H      -4.872876      0.026413      8.925244
  H      -6.369849      5.833508      7.769439
  H     -10.578441      6.014578      5.966100
  H     -12.166599      4.326451      5.023751
  H     -11.517818      1.924340      4.921927
  H      -9.292042      1.185724      5.713828
  N      -2.039387      2.549169      3.278852
  H      -2.837539      3.057567      2.890367
  H      -1.665154      1.988782      2.504693
  H      -1.323785      3.262942      3.452922
99
Coordinates from ORCA-job orca E -6652.797228371129
  N      -2.270426      3.252982      5.958561
  Mo     -2.537174      1.430899      5.164839
  N      -3.130632      0.385635      6.744465
  C      -2.161515      0.059198      7.789270
  C      -1.144425      1.166179      8.020104
  N      -0.441847      1.562513      6.786788
  C       0.007029      2.954646      6.832428
  C      -0.939056      3.821137      5.956521
  C       0.549771      0.603936      6.285072
  C       0.243023      0.401212      4.787801
  N      -1.166742      0.074311      4.689103
  H      -0.513858      3.841835      4.941234
  H      -0.940213      4.862485      6.312997
  H       1.032144      3.045501      6.450122
  H       0.000995      3.314778      7.871578
  H       0.861088     -0.398684      4.351284
  H       0.472610      1.336118      4.248425
  H       0.432005     -0.356908      6.803727
  H       1.577648      0.966610      6.448359
  H      -2.676411     -0.119937      8.748020
  H      -1.652861     -0.889032      7.520783
  H      -1.687602      2.049955      8.379648
  H      -0.423917      0.858628      8.799964
  C      -3.264210      4.019740      6.692782
  C      -3.637496      5.371112      6.071999
  O      -4.787233      5.279899      5.195777
  C      -4.604259      5.204588      3.874929
  O      -3.524647      5.218150      3.300884
  C      -5.936345      5.063581      3.176190
  N      -6.802370      4.253251      3.765961
  C      -7.990799      4.065071      3.138356
  N      -8.395613      4.626841      2.015516
  C      -7.517393      5.473971      1.406496
  C      -7.903988      6.092201      0.192593
  C      -7.034092      6.940624     -0.454749
  C      -5.756928      7.211289      0.092774
  C      -5.353982      6.634255      1.277699
  C      -6.217793      5.738671      1.956699
  C      -1.506726     -1.310783      4.450681
  C      -1.915492     -1.659935      2.991712
  O      -2.393852     -0.535151      2.217291
  C      -3.404583      0.178169      2.738555
  O      -3.920848     -0.120922      3.833883
  C      -4.038188      1.119740      1.755607
  N      -5.280746      1.448910      2.109943
  C      -5.961693      2.285090      1.305205
  N      -5.511441      2.889028      0.216292
  C      -4.241716      2.578476     -0.162000
  C      -3.716516      3.222154     -1.310509
  C      -2.449400      2.922153     -1.757615
  C      -1.663538      1.969459     -1.071525
  C      -2.138197      1.336275      0.060631
  C      -3.434914      1.626931      0.558068
  C      -4.354554     -0.400381      6.850154
  C      -5.337314      0.064345      7.925640
  O      -5.847367      1.402425      7.717647
  C      -6.831988      1.500270      6.795522
  O      -7.222673      0.567926      6.116265
  C      -7.399745      2.899612      6.741001
  N      -6.615180      3.869363      7.184011
  C      -7.103805      5.131305      7.135215
  N      -8.286414      5.514890      6.701522
  C      -9.115465      4.528451      6.256138
  C     -10.400325      4.887229      5.780810
  C     -11.268390      3.914890      5.336917
  C     -10.886626      2.552691      5.350614
  C      -9.638474      2.169884      5.795735
  C      -8.718986      3.148259      6.257395
  H      -2.877212      4.234624      7.708356
  H      -4.189595      3.439909      6.818296
  H      -2.796790      5.812238      5.519797
  H      -3.967255      6.057397      6.861758
  H      -8.679520      3.372853      3.629814
  H      -8.895187      5.867376     -0.200259
  H      -7.328620      7.415239     -1.391214
  H      -5.086006      7.896260     -0.426670
  H      -4.371888      6.870270      1.681767
  H      -2.347751     -1.586708      5.100186
  H      -0.644193     -1.943258      4.715062
  H      -2.712431     -2.416054      3.012819
  H      -1.067830     -2.030272      2.405013
  H      -6.986414      2.507166      1.611531
  H      -4.356094      3.950735     -1.809042
  H      -2.049469      3.414317     -2.644429
  H      -0.664629      1.732442     -1.438887
  H      -1.513234      0.605075      0.566021
  H      -4.871266     -0.403807      5.884340
  H      -4.102827     -1.448832      7.102022
  H      -6.182830     -0.638332      7.946828
  H      -4.868468      0.108570      8.916534
  H      -6.429492      5.912090      7.497506
  H     -10.669588      5.943235      5.785519
  H     -12.258513      4.192077      4.973930
  H     -11.588934      1.795749      5.000411
  H      -9.344696      1.123760      5.790894
  N      -1.937435      2.577248      3.269562
  H      -2.718195      3.113760      2.878979
  H      -1.565537      2.018152      2.494121
  H      -1.213545      3.272598      3.463257
99
Coordinates from ORCA-job orca E -6652.801397372226
  N      -2.323969      3.238004      5.938057
  Mo     -2.531010      1.423300      5.137847
  N      -3.160227      0.368119      6.685118
  C      -2.213904      0.040134      7.745664
  C      -1.222666      1.155956      8.020358
  N      -0.486106      1.583994      6.820514
  C      -0.077880      2.984840      6.893380
  C      -1.015110      3.838729      5.994933
  C       0.530323      0.653358      6.323346
  C       0.267929      0.470631      4.819013
  N      -1.125270      0.107867      4.666552
  H      -0.545986      3.890185      4.999893
  H      -1.058693      4.876068      6.362516
  H       0.958530      3.104909      6.550349
  H      -0.127204      3.331852      7.936105
  H       0.918108     -0.307135      4.386787
  H       0.494767      1.417865      4.299398
  H       0.417371     -0.317301      6.825279
  H       1.547401      1.031672      6.520276
  H      -2.750251     -0.158078      8.689663
  H      -1.687548     -0.900593      7.481442
  H      -1.787667      2.028019      8.374960
  H      -0.524864      0.848871      8.821923
  C      -3.371044      3.957179      6.644906
  C      -3.775910      5.296739      6.027070
  O      -4.898203      5.166141      5.119730
  C      -4.683155      5.103639      3.805943
  O      -3.592721      5.136762      3.252901
  C      -6.002124      4.944740      3.082550
  N      -6.862080      4.113748      3.650442
  C      -8.032012      3.902064      2.995448
  N      -8.420106      4.455465      1.863510
  C      -7.547077      5.325719      1.277403
  C      -7.915036      5.939400      0.055401
  C      -7.048685      6.811959     -0.565002
  C      -5.794988      7.114693      0.019417
  C      -5.411499      6.541863      1.212700
  C      -6.270299      5.620675      1.860980
  C      -1.428640     -1.280037      4.406498
  C      -1.797543     -1.640441      2.944883
  O      -2.308115     -0.537733      2.153547
  C      -3.342223      0.140507      2.651421
  O      -3.838804     -0.136203      3.761269
  C      -3.984368      1.079061      1.669848
  N      -5.240772      1.379988      1.998956
  C      -5.921653      2.194333      1.171331
  N      -5.459814      2.808786      0.094348
  C      -4.173426      2.535428     -0.251849
  C      -3.633604      3.195973     -1.384752
  C      -2.349282      2.929327     -1.798861
  C      -1.558538      1.993180     -1.096021
  C      -2.045952      1.344082      0.020572
  C      -3.362295      1.602242      0.486842
  C      -4.385483     -0.416745      6.746349
  C      -5.363660     -0.004561      7.844230
  O      -5.862176      1.353332      7.737651
  C      -6.849316      1.549471      6.833820
  O      -7.252055      0.698681      6.061114
  C      -7.398293      2.956005      6.933626
  N      -6.605704      3.849959      7.503285
  C      -7.069925      5.119225      7.593932
  N      -8.235670      5.574153      7.188692
  C      -9.073747      4.664656      6.613531
  C     -10.339234      5.108289      6.158132
  C     -11.214946      4.218490      5.577965
  C     -10.858825      2.857559      5.431680
  C      -9.629844      2.394818      5.854298
  C      -8.703371      3.286596      6.455362
  H      -3.026221      4.170729      7.677095
  H      -4.274695      3.338681      6.741358
  H      -2.939045      5.780459      5.506046
  H      -4.159335      5.960242      6.812576
  H      -8.715007      3.191080      3.470098
  H      -8.889757      5.691920     -0.364849
  H      -7.329097      7.282773     -1.507931
  H      -5.128879      7.820970     -0.477602
  H      -4.450924      6.804432      1.650407
  H      -2.268516     -1.588425      5.043932
  H      -0.553707     -1.893210      4.680064
  H      -2.566309     -2.425583      2.952929
  H      -0.928481     -1.980899      2.371613
  H      -6.962227      2.384249      1.439976
  H      -4.275935      3.910375     -1.899905
  H      -1.938450      3.434445     -2.673657
  H      -0.545321      1.781079     -1.439459
  H      -1.416919      0.625181      0.537587
  H      -4.890706     -0.381424      5.775574
  H      -4.137568     -1.476874      6.954084
  H      -6.215525     -0.699419      7.830037
  H      -4.891514     -0.028144      8.834525
  H      -6.387365      5.838817      8.055683
  H     -10.586605      6.162090      6.286230
  H     -12.189795      4.560687      5.228795
  H     -11.566060      2.165376      4.973383
  H      -9.357286      1.351140      5.724778
  N      -1.864194      2.611658      3.249676
  H      -2.638797      3.147494      2.843679
  H      -1.458742      2.068807      2.481253
  H      -1.158987      3.314690      3.483180
99
Coordinates from ORCA-job orca E -6652.804934314821
  N      -2.288013      3.236776      5.930000
  Mo     -2.493991      1.417456      5.156771
  N      -3.134153      0.383455      6.705112
  C      -2.188573      0.048721      7.766206
  C      -1.193603      1.160778      8.041023
  N      -0.450141      1.586957      6.843713
  C      -0.046945      2.990807      6.907707
  C      -0.981873      3.841844      5.998981
  C       0.560679      0.653310      6.340235
  C       0.301853      0.474117      4.836194
  N      -1.090390      0.107945      4.667349
  H      -0.501697      3.899658      5.008422
  H      -1.031744      4.879595      6.366584
  H       0.992209      3.109947      6.571752
  H      -0.100775      3.344991      7.948225
  H       0.959160     -0.299864      4.405877
  H       0.532981      1.421861      4.318178
  H       0.444094     -0.317344      6.842690
  H       1.580207      1.025553      6.539224
  H      -2.722806     -0.148559      8.712110
  H      -1.666235     -0.895498      7.503951
  H      -1.754910      2.035810      8.394908
  H      -0.501325      0.852410      8.847814
  C      -3.343297      3.938771      6.644726
  C      -3.771284      5.271030      6.023956
  O      -4.901455      5.119084      5.126200
  C      -4.695744      5.031751      3.809635
  O      -3.606573      5.040357      3.252253
  C      -6.023378      4.953943      3.085117
  N      -6.923359      4.156020      3.640337
  C      -8.103777      4.013343      2.983206
  N      -8.466732      4.605085      1.861917
  C      -7.554263      5.442740      1.287913
  C      -7.895153      6.095549      0.078262
  C      -6.990104      6.938887     -0.527319
  C      -5.722626      7.174369      0.059364
  C      -5.361983      6.560048      1.239936
  C      -6.262245      5.665730      1.873973
  C      -1.391885     -1.284446      4.417002
  C      -1.768470     -1.661271      2.961713
  O      -2.312915     -0.576503      2.162238
  C      -3.343753      0.097264      2.667172
  O      -3.796146     -0.140931      3.806076
  C      -4.010357      1.034625      1.702559
  N      -5.261076      1.320263      2.066054
  C      -5.976771      2.122583      1.255400
  N      -5.550993      2.741453      0.165416
  C      -4.267647      2.491330     -0.212980
  C      -3.768971      3.162848     -1.358417
  C      -2.488877      2.922419     -1.803487
  C      -1.662644      2.001501     -1.119735
  C      -2.110814      1.340233      0.007284
  C      -3.421504      1.571279      0.505864
  C      -4.368220     -0.392018      6.761497
  C      -5.348517      0.016893      7.858047
  O      -5.857741      1.370323      7.742232
  C      -6.853286      1.543377      6.842411
  O      -7.248370      0.674980      6.086075
  C      -7.412758      2.948254      6.910523
  N      -6.631440      3.863719      7.464223
  C      -7.104204      5.134125      7.510372
  N      -8.266823      5.570150      7.073307
  C      -9.092876      4.638750      6.514100
  C     -10.354513      5.061875      6.027856
  C     -11.217289      4.149549      5.461532
  C     -10.851790      2.786014      5.363260
  C      -9.626742      2.342847      5.818327
  C      -8.712726      3.257790      6.403967
  H      -2.996757      4.157411      7.675937
  H      -4.235238      3.305383      6.753411
  H      -2.946322      5.764245      5.492781
  H      -4.154590      5.934474      6.809389
  H      -8.821908      3.331790      3.450592
  H      -8.881923      5.902461     -0.344276
  H      -7.250552      7.439698     -1.461283
  H      -5.026659      7.860266     -0.426468
  H      -4.389968      6.770501      1.681806
  H      -2.219658     -1.599899      5.067201
  H      -0.510705     -1.893551      4.683600
  H      -2.520302     -2.462766      2.981934
  H      -0.899593     -1.988410      2.379821
  H      -7.014988      2.298900      1.551309
  H      -4.438418      3.863803     -1.859828
  H      -2.108842      3.436346     -2.687939
  H      -0.653544      1.809163     -1.488367
  H      -1.455039      0.631421      0.506253
  H      -4.869700     -0.353200      5.788730
  H      -4.126892     -1.455371      6.965418
  H      -6.196802     -0.682837      7.847021
  H      -4.878616      0.000425      8.849884
  H      -6.433733      5.871998      7.963378
  H     -10.608918      6.118398      6.121000
  H     -12.189242      4.475510      5.087404
  H     -11.548840      2.075412      4.915990
  H      -9.347755      1.295921      5.725564
  N      -1.814868      2.589911      3.237831
  H      -2.588008      3.131208      2.837909
  H      -1.417195      2.037564      2.472470
  H      -1.104456      3.290985      3.468761
99
Coordinates from ORCA-job orca E -6652.807710188015
  N      -2.254663      3.249947      5.929445
  Mo     -2.469824      1.433913      5.160721
  N      -3.136660      0.406720      6.695903
  C      -2.201116      0.041726      7.758372
  C      -1.195987      1.139799      8.053860
  N      -0.438182      1.573137      6.867656
  C      -0.027238      2.975198      6.939927
  C      -0.943988      3.843540      6.024633
  C       0.563315      0.634052      6.352995
  C       0.319304      0.478278      4.844545
  N      -1.073850      0.125135      4.644002
  H      -0.450944      3.912435      5.040979
  H      -0.990495      4.876864      6.405139
  H       1.017340      3.085552      6.618517
  H      -0.088684      3.326886      7.980700
  H       0.981059     -0.291515      4.413260
  H       0.565060      1.430264      4.341415
  H       0.431114     -0.341043      6.843131
  H       1.586739      0.987886      6.565253
  H      -2.739924     -0.164640      8.699500
  H      -1.688374     -0.904274      7.486224
  H      -1.749228      2.016482      8.416396
  H      -0.515188      0.814408      8.863625
  C      -3.307920      3.942543      6.658797
  C      -3.738530      5.280204      6.049059
  O      -4.878444      5.140339      5.161611
  C      -4.683286      5.056853      3.840954
  O      -3.595782      5.022776      3.281741
  C      -6.012374      4.976306      3.123834
  N      -6.921884      4.199018      3.694020
  C      -8.103427      4.058136      3.037382
  N      -8.457890      4.628950      1.902250
  C      -7.536850      5.446290      1.314228
  C      -7.868015      6.082165      0.093272
  C      -6.954349      6.910680     -0.520174
  C      -5.687545      7.147590      0.067605
  C      -5.334230      6.545161      1.256861
  C      -6.244446      5.668186      1.900380
  C      -1.379674     -1.267345      4.389461
  C      -1.758786     -1.639971      2.932517
  O      -2.328777     -0.563418      2.134773
  C      -3.354140      0.111685      2.651144
  O      -3.768584     -0.095169      3.812168
  C      -4.029160      1.048984      1.699449
  N      -5.278234      1.332990      2.070906
  C      -6.003462      2.123503      1.256432
  N      -5.587586      2.730593      0.154842
  C      -4.303280      2.484862     -0.227787
  C      -3.813526      3.143169     -1.384161
  C      -2.532290      2.904356     -1.830842
  C      -1.698546      1.996640     -1.138447
  C      -2.140800      1.345927     -0.002556
  C      -3.449567      1.577808      0.497334
  C      -4.384409     -0.351352      6.741819
  C      -5.352837      0.046375      7.851951
  O      -5.857076      1.400094      7.740860
  C      -6.872529      1.555669      6.860374
  O      -7.283009      0.666239      6.137312
  C      -7.436960      2.957364      6.902962
  N      -6.654065      3.893364      7.420167
  C      -7.131448      5.163320      7.424781
  N      -8.297724      5.581033      6.977240
  C      -9.125420      4.628289      6.458173
  C     -10.391973      5.029431      5.966336
  C     -11.256151      4.093306      5.441416
  C     -10.887162      2.727711      5.392850
  C      -9.657029      2.305685      5.854229
  C      -8.741144      3.245165      6.396605
  H      -2.957172      4.151439      7.690063
  H      -4.198336      3.307487      6.771411
  H      -2.916798      5.773949      5.512999
  H      -4.111174      5.940719      6.841198
  H      -8.831174      3.398451      3.518734
  H      -8.854772      5.891634     -0.330156
  H      -7.208058      7.399276     -1.462358
  H      -4.986012      7.822206     -0.425609
  H      -4.362757      6.751155      1.703590
  H      -2.200150     -1.591173      5.044437
  H      -0.498002     -1.880034      4.646779
  H      -2.495209     -2.455613      2.950720
  H      -0.888603     -1.948967      2.342727
  H      -7.041330      2.297178      1.557143
  H      -4.488258      3.830969     -1.895239
  H      -2.158371      3.408478     -2.723290
  H      -0.690289      1.803854     -1.508724
  H      -1.481033      0.642763      0.501505
  H      -4.892281     -0.288575      5.773669
  H      -4.155405     -1.421632      6.921825
  H      -6.204600     -0.649038      7.840639
  H      -4.877426      0.019135      8.840845
  H      -6.463165      5.918772      7.850068
  H     -10.648982      6.087810      6.022590
  H     -12.231921      4.401668      5.062714
  H     -11.585064      1.998319      4.978598
  H      -9.375644      1.256653      5.799173
  N      -1.770838      2.599026      3.225936
  H      -2.539183      3.156903      2.835748
  H      -1.383220      2.039963      2.460204
  H      -1.052151      3.288840      3.461359
99
Coordinates from ORCA-job orca E -6652.809810210645
  N      -2.225679      3.264640      5.930335
  Mo     -2.445580      1.447550      5.170872
  N      -3.133488      0.421498      6.693282
  C      -2.208411      0.032361      7.759696
  C      -1.200080      1.122658      8.075847
  N      -0.432380      1.562711      6.898936
  C      -0.014234      2.962934      6.974046
  C      -0.909405      3.843935      6.046720
  C       0.563524      0.620063      6.378125
  C       0.340591      0.485153      4.864929
  N      -1.051186      0.143091      4.628368
  H      -0.406451      3.913294      5.068028
  H      -0.951050      4.875151      6.433325
  H       1.035787      3.062354      6.667075
  H      -0.085136      3.316993      8.013098
  H       1.009971     -0.279205      4.435978
  H       0.598464      1.442042      4.377506
  H       0.416387     -0.358715      6.856512
  H       1.588869      0.958377      6.606064
  H      -2.753344     -0.185438      8.694317
  H      -1.698731     -0.911551      7.477774
  H      -1.750449      1.998301      8.445093
  H      -0.527654      0.785133      8.887516
  C      -3.275408      3.957308      6.667028
  C      -3.703786      5.294163      6.052143
  O      -4.849685      5.153675      5.174275
  C      -4.664360      5.048130      3.852391
  O      -3.580789      5.011643      3.286309
  C      -5.997060      4.982825      3.147669
  N      -6.915284      4.227324      3.733316
  C      -8.104714      4.101596      3.088358
  N      -8.456347      4.661455      1.946771
  C      -7.526749      5.457147      1.343325
  C      -7.855600      6.087226      0.118970
  C      -6.934597      6.900334     -0.504252
  C      -5.661746      7.126038      0.074332
  C      -5.308682      6.525374      1.264394
  C      -6.227612      5.666186      1.919664
  C      -1.356929     -1.250760      4.370378
  C      -1.736212     -1.618783      2.912225
  O      -2.335182     -0.554416      2.116123
  C      -3.353385      0.125076      2.642517
  O      -3.729173     -0.052785      3.822713
  C      -4.039986      1.054208      1.697656
  N      -5.287636      1.337182      2.080543
  C      -6.022854      2.120319      1.268091
  N      -5.622239      2.716904      0.154734
  C      -4.339446      2.475247     -0.237459
  C      -3.864806      3.124731     -1.404032
  C      -2.583921      2.892652     -1.857827
  C      -1.737410      2.000081     -1.162480
  C      -2.167467      1.355526     -0.017881
  C      -3.474087      1.580310      0.488279
  C      -4.388037     -0.329246      6.726206
  C      -5.352666      0.059677      7.842664
  O      -5.867377      1.408441      7.722894
  C      -6.907448      1.543555      6.865765
  O      -7.333516      0.635410      6.174657
  C      -7.467766      2.944685      6.881823
  N      -6.673598      3.888638      7.366353
  C      -7.140845      5.161462      7.337319
  N      -8.305606      5.576519      6.882823
  C      -9.146565      4.616537      6.401243
  C     -10.413374      5.014515      5.908041
  C     -11.292151      4.070500      5.423083
  C     -10.937618      2.700355      5.416811
  C      -9.706973      2.280775      5.879589
  C      -8.775180      3.228181      6.380438
  H      -2.921415      4.166989      7.696476
  H      -4.167652      3.324928      6.784228
  H      -2.882450      5.777808      5.506250
  H      -4.066692      5.963213      6.841727
  H      -8.840628      3.460614      3.582374
  H      -8.846786      5.907767     -0.298360
  H      -7.187488      7.385353     -1.448400
  H      -4.955119      7.788433     -0.427762
  H      -4.332404      6.717077      1.706554
  H      -2.171893     -1.583719      5.027562
  H      -0.473873     -1.864803      4.619450
  H      -2.451962     -2.452652      2.927127
  H      -0.862233     -1.903962      2.316062
  H      -7.058446      2.288904      1.575764
  H      -4.548570      3.799840     -1.919309
  H      -2.220977      3.391106     -2.757700
  H      -0.730161      1.812545     -1.537605
  H      -1.499112      0.660928      0.486504
  H      -4.897965     -0.247631      5.760956
  H      -4.165514     -1.403810      6.886433
  H      -6.197894     -0.643018      7.836183
  H      -4.873040      0.038371      8.829524
  H      -6.465063      5.923764      7.736661
  H     -10.659164      6.076560      5.932617
  H     -12.268363      4.376099      5.043781
  H     -11.646907      1.964839      5.034431
  H      -9.437690      1.228164      5.856447
  N      -1.742925      2.604148      3.219522
  H      -2.510297      3.172583      2.842277
  H      -1.367808      2.039132      2.453257
  H      -1.016079      3.285050      3.455173
99
Coordinates from ORCA-job orca E -6652.811692758360
  N      -2.224010      3.277041      5.932808
  Mo     -2.430049      1.457657      5.175547
  N      -3.140242      0.418743      6.677198
  C      -2.230324      0.007036      7.750825
  C      -1.231065      1.096338      8.098607
  N      -0.453239      1.553902      6.936144
  C      -0.036288      2.954262      7.022373
  C      -0.904670      3.844891      6.078849
  C       0.549256      0.617629      6.414977
  C       0.361650      0.508457      4.895982
  N      -1.022765      0.168651      4.612865
  H      -0.385570      3.914813      5.108636
  H      -0.947783      4.873543      6.471896
  H       1.020762      3.049414      6.738560
  H      -0.128134      3.306455      8.060112
  H       1.046869     -0.244149      4.471685
  H       0.626678      1.474708      4.431061
  H       0.390665     -0.367870      6.875326
  H       1.571143      0.947975      6.668978
  H      -2.787083     -0.230183      8.673189
  H      -1.714323     -0.928968      7.456801
  H      -1.788592      1.964406      8.474958
  H      -0.566690      0.749042      8.912637
  C      -3.277078      3.965178      6.671026
  C      -3.701245      5.304044      6.055312
  O      -4.844882      5.166248      5.176306
  C      -4.655175      5.049038      3.855255
  O      -3.568700      4.998192      3.296092
  C      -5.984196      4.975213      3.148673
  N      -6.906612      4.233051      3.745640
  C      -8.095696      4.101867      3.102352
  N      -8.442788      4.641336      1.949623
  C      -7.510297      5.424383      1.334844
  C      -7.835914      6.036761      0.100694
  C      -6.913649      6.841543     -0.531179
  C      -5.641588      7.074340      0.045654
  C      -5.289851      6.487658      1.242677
  C      -6.211146      5.639187      1.909350
  C      -1.317535     -1.227498      4.345469
  C      -1.683335     -1.588638      2.883110
  O      -2.311964     -0.540356      2.087619
  C      -3.327187      0.141510      2.617431
  O      -3.672542     -0.012604      3.812295
  C      -4.025894      1.054850      1.673263
  N      -5.277793      1.323371      2.060543
  C      -6.027867      2.087581      1.245008
  N      -5.645158      2.676599      0.121237
  C      -4.359808      2.453456     -0.274481
  C      -3.904583      3.096701     -1.451288
  C      -2.620085      2.887716     -1.907290
  C      -1.751485      2.024443     -1.204000
  C      -2.164571      1.383149     -0.050704
  C      -3.474065      1.583614      0.457173
  C      -4.400312     -0.325459      6.689290
  C      -5.361663      0.052052      7.812665
  O      -5.873417      1.402295      7.700306
  C      -6.930845      1.545726      6.864177
  O      -7.382179      0.638494      6.187230
  C      -7.483142      2.947998      6.897513
  N      -6.676705      3.882092      7.381540
  C      -7.132280      5.158480      7.364918
  N      -8.295945      5.587669      6.920865
  C      -9.150522      4.638762      6.442812
  C     -10.417820      5.051681      5.963640
  C     -11.310987      4.118810      5.483863
  C     -10.970754      2.745320      5.468418
  C      -9.740047      2.310919      5.917463
  C      -8.792945      3.246707      6.411508
  H      -2.927290      4.171511      7.702007
  H      -4.171039      3.333157      6.780847
  H      -2.876224      5.781230      5.509122
  H      -4.061563      5.976907      6.843269
  H      -8.835308      3.471865      3.604776
  H      -8.826214      5.853083     -0.316630
  H      -7.165124      7.314071     -1.481978
  H      -4.934138      7.729465     -0.464638
  H      -4.313603      6.679379      1.683743
  H      -2.131681     -1.575137      4.996430
  H      -0.431121     -1.837615      4.591799
  H      -2.371090     -2.445922      2.886860
  H      -0.798575     -1.840955      2.287688
  H      -7.063821      2.241530      1.556431
  H      -4.604867      3.748345     -1.974602
  H      -2.272014      3.382879     -2.814766
  H      -0.741197      1.855576     -1.579617
  H      -1.479685      0.708778      0.457564
  H      -4.909870     -0.214287      5.726507
  H      -4.187019     -1.405445      6.820659
  H      -6.205735     -0.651565      7.801732
  H      -4.880087      0.023863      8.798152
  H      -6.447887      5.912198      7.765465
  H     -10.652347      6.115981      5.995326
  H     -12.287610      4.435926      5.115410
  H     -11.691412      2.018622      5.090741
  H      -9.482521      1.255670      5.887726
  N      -1.730596      2.616315      3.215234
  H      -2.499829      3.189057      2.849636
  H      -1.362650      2.049928      2.447352
  H      -0.999937      3.292191      3.453450
99
Coordinates from ORCA-job orca E -6652.813690669583
  N      -2.233234      3.291633      5.945436
  Mo     -2.418382      1.466818      5.192009
  N      -3.140848      0.407038      6.673148
  C      -2.241689     -0.023699      7.750256
  C      -1.257908      1.069390      8.126553
  N      -0.479840      1.548554      6.973526
  C      -0.066988      2.950768      7.071464
  C      -0.910295      3.847270      6.113712
  C       0.533950      0.623870      6.450352
  C       0.380017      0.542353      4.926865
  N      -0.994343      0.198817      4.602776
  H      -0.377976      3.912343      5.150251
  H      -0.953475      4.874980      6.509092
  H       0.995887      3.044020      6.809281
  H      -0.179830      3.299713      8.107821
  H       1.082985     -0.194631      4.504713
  H       0.644566      1.520162      4.486011
  H       0.369602     -0.369687      6.890095
  H       1.549891      0.951600      6.729788
  H      -2.807266     -0.284534      8.660239
  H      -1.714392     -0.947739      7.441091
  H      -1.826345      1.926097      8.512424
  H      -0.593903      0.716262      8.937968
  C      -3.289889      3.981717      6.678324
  C      -3.708572      5.322535      6.058186
  O      -4.850390      5.188605      5.177812
  C      -4.657248      5.059486      3.857857
  O      -3.567792      5.004020      3.304861
  C      -5.982803      4.987511      3.146393
  N      -6.915624      4.263547      3.750641
  C      -8.103414      4.136179      3.106491
  N      -8.440148      4.659603      1.943576
  C      -7.497910      5.423345      1.320433
  C      -7.813911      6.020106      0.076123
  C      -6.883482      6.808647     -0.563592
  C      -5.611555      7.038600      0.013787
  C      -5.268254      6.465200      1.219148
  C      -6.198823      5.634779      1.896105
  C      -1.274885     -1.199350      4.322288
  C      -1.632419     -1.550963      2.856245
  O      -2.298227     -0.522945      2.065996
  C      -3.306837      0.162738      2.604945
  O      -3.614469      0.034129      3.816675
  C      -4.024054      1.054432      1.664203
  N      -5.275532      1.320249      2.065945
  C      -6.039985      2.069123      1.251691
  N      -5.680054      2.643884      0.112866
  C      -4.397928      2.425578     -0.297433
  C      -3.964340      3.055399     -1.488934
  C      -2.682727      2.854963     -1.957674
  C      -1.795757      2.013514     -1.252854
  C      -2.189050      1.383269     -0.086101
  C      -3.494282      1.574843      0.433832
  C      -4.401429     -0.337436      6.665298
  C      -5.361448      0.022545      7.795959
  O      -5.871962      1.372997      7.696820
  C      -6.941584      1.524783      6.877236
  O      -7.400760      0.624397      6.196134
  C      -7.480941      2.930680      6.920311
  N      -6.668393      3.852376      7.419260
  C      -7.109935      5.132553      7.412529
  N      -8.263947      5.579092      6.960776
  C      -9.125209      4.644297      6.468589
  C     -10.383862      5.075434      5.982916
  C     -11.284839      4.156704      5.491436
  C     -10.962046      2.779376      5.470934
  C      -9.740217      2.326948      5.926164
  C      -8.784359      3.248233      6.430004
  H      -2.944872      4.187740      7.710408
  H      -4.186561      3.352020      6.780259
  H      -2.878836      5.791059      5.511479
  H      -4.065096      6.001019      6.843245
  H      -8.852515      3.522266      3.614058
  H      -8.803815      5.838763     -0.342760
  H      -7.128177      7.269786     -1.521594
  H      -4.897134      7.680365     -0.503508
  H      -4.291377      6.651320      1.659989
  H      -2.085348     -1.565387      4.968350
  H      -0.381979     -1.802879      4.560825
  H      -2.286953     -2.433946      2.850463
  H      -0.738868     -1.765280      2.258487
  H      -7.072481      2.218381      1.575174
  H      -4.677888      3.690712     -2.014318
  H      -2.352047      3.341173     -2.876351
  H      -0.787534      1.851995     -1.636825
  H      -1.490489      0.723235      0.422664
  H      -4.911745     -0.196173      5.706051
  H      -4.191143     -1.420817      6.764241
  H      -6.203351     -0.683416      7.777055
  H      -4.878701     -0.014299      8.780237
  H      -6.422151      5.875154      7.827541
  H     -10.605641      6.142164      6.019877
  H     -12.254776      4.488003      5.118131
  H     -11.689237      2.063830      5.084955
  H      -9.495931      1.268664      5.892681
  N      -1.746797      2.628168      3.219919
  H      -2.523398      3.199219      2.869518
  H      -1.388362      2.060768      2.449024
  H      -1.013800      3.303147      3.453283
99
Coordinates from ORCA-job orca E -6652.816178821810
  N      -2.257833      3.307644      5.962639
  Mo     -2.407546      1.473435      5.212395
  N      -3.139787      0.384856      6.670164
  C      -2.251253     -0.059550      7.751339
  C      -1.291468      1.043693      8.154317
  N      -0.518439      1.547394      7.007244
  C      -0.112373      2.953930      7.118732
  C      -0.931368      3.852323      6.148744
  C       0.515486      0.639656      6.488121
  C       0.399994      0.584252      4.961031
  N      -0.960625      0.229461      4.600607
  H      -0.386527      3.910494      5.191644
  H      -0.975965      4.879832      6.544301
  H       0.955486      3.047575      6.877725
  H      -0.247169      3.297112      8.153842
  H       1.123753     -0.134184      4.542891
  H       0.657577      1.574541      4.544208
  H       0.350939     -0.362435      6.906346
  H       1.520729      0.972995      6.796298
  H      -2.826060     -0.346740      8.646782
  H      -1.706352     -0.967697      7.427902
  H      -1.876447      1.885653      8.547654
  H      -0.622621      0.691800      8.961415
  C      -3.318112      4.002791      6.685744
  C      -3.731856      5.345332      6.060738
  O      -4.870322      5.215705      5.177063
  C      -4.669213      5.075918      3.859621
  O      -3.574374      5.016651      3.317246
  C      -5.988257      5.004552      3.135656
  N      -6.934710      4.298756      3.741113
  C      -8.116605      4.173988      3.088835
  N      -8.436156      4.681201      1.914028
  C      -7.480155      5.424618      1.288245
  C      -7.778886      6.002927      0.030807
  C      -6.836307      6.772739     -0.613157
  C      -5.568247      7.000602     -0.027159
  C      -5.241717      6.444629      1.190283
  C      -6.185203      5.633717      1.873087
  C      -1.223038     -1.169718      4.302714
  C      -1.573778     -1.508468      2.832215
  O      -2.275774     -0.502915      2.048854
  C      -3.277982      0.189265      2.595640
  O      -3.545878      0.088304      3.825079
  C      -4.016168      1.051610      1.657714
  N      -5.266683      1.317759      2.077252
  C      -6.047337      2.047616      1.264742
  N      -5.714886      2.604712      0.108568
  C      -4.437665      2.389202     -0.319986
  C      -4.029241      3.002852     -1.528285
  C      -2.752743      2.810013     -2.014062
  C      -1.845095      1.992537     -1.309782
  C      -2.214425      1.376569     -0.127084
  C      -3.513524      1.559791      0.408888
  C      -4.396527     -0.365131      6.635172
  C      -5.364286     -0.023450      7.765601
  O      -5.868196      1.328948      7.681726
  C      -6.939303      1.501201      6.868385
  O      -7.409446      0.615188      6.176249
  C      -7.466375      2.910431      6.941962
  N      -6.648501      3.812143      7.469613
  C      -7.077989      5.094589      7.496994
  N      -8.224381      5.564298      7.050013
  C      -9.090674      4.651434      6.527918
  C     -10.342331      5.107009      6.046453
  C     -11.249490      4.210454      5.527439
  C     -10.940877      2.831098      5.474090
  C      -9.726400      2.354914      5.924131
  C      -8.764000      3.253542      6.454747
  H      -2.977578      4.210464      7.718413
  H      -4.217295      3.375459      6.779204
  H      -2.896597      5.805594      5.515210
  H      -4.086066      6.028791      6.842614
  H      -8.878326      3.576141      3.596350
  H      -8.765800      5.822626     -0.395039
  H      -7.067859      7.219857     -1.580796
  H      -4.843073      7.627151     -0.547846
  H      -4.266890      6.628237      1.635752
  H      -2.029696     -1.556465      4.942140
  H      -0.321583     -1.763812      4.531948
  H      -2.194765     -2.415377      2.817783
  H      -0.672639     -1.685548      2.232806
  H      -7.075120      2.193866      1.603721
  H      -4.757984      3.621245     -2.053068
  H      -2.443124      3.285220     -2.945671
  H      -0.840293      1.837770     -1.704931
  H      -1.499960      0.733724      0.381697
  H      -4.901207     -0.194238      5.676609
  H      -4.185987     -1.449964      6.702242
  H      -6.205234     -0.729963      7.730103
  H      -4.888115     -0.071951      8.752219
  H      -6.387114      5.818963      7.938150
  H     -10.553876      6.174446      6.109404
  H     -12.213825      4.560927      5.157578
  H     -11.673313      2.133038      5.067062
  H      -9.492487      1.295304      5.865854
  N      -1.781453      2.633650      3.229216
  H      -2.569797      3.194127      2.890151
  H      -1.429249      2.064023      2.457376
  H      -1.050823      3.314600      3.451925
99
Coordinates from ORCA-job orca E -6652.818886428551
  N      -2.308486      3.323775      5.984355
  Mo     -2.401848      1.476217      5.236196
  N      -3.135174      0.349450      6.669821
  C      -2.252869     -0.098269      7.751795
  C      -1.329000      1.024486      8.175053
  N      -0.569724      1.556045      7.027721
  C      -0.176312      2.971229      7.153112
  C      -0.979589      3.862835      6.177503
  C       0.495282      0.673540      6.520369
  C       0.417196      0.638593      4.991542
  N      -0.925352      0.259377      4.609137
  H      -0.425212      3.914892      5.225066
  H      -1.030069      4.891069      6.570338
  H       0.894181      3.070332      6.926580
  H      -0.328652      3.305369      8.188172
  H       1.164132     -0.057447      4.577324
  H       0.656971      1.641632      4.594811
  H       0.342302     -0.337035      6.919644
  H       1.483515      1.026788      6.856766
  H      -2.833656     -0.415500      8.632428
  H      -1.682474     -0.985305      7.414804
  H      -1.937234      1.847318      8.573197
  H      -0.647296      0.685263      8.975358
  C      -3.371685      4.025577      6.693563
  C      -3.785453      5.368283      6.064371
  O      -4.918957      5.241615      5.175161
  C      -4.702852      5.094031      3.862740
  O      -3.599286      5.031105      3.337329
  C      -6.010889      5.020537      3.114124
  N      -6.975603      4.330790      3.709499
  C      -8.144307      4.207693      3.037286
  N      -8.435457      4.701170      1.849033
  C      -7.459672      5.425611      1.232157
  C      -7.729047      5.985615     -0.040667
  C      -6.768527      6.736416     -0.679792
  C      -5.510603      6.962239     -0.071351
  C      -5.213834      6.425176      1.161271
  C      -6.175806      5.632968      1.839408
  C      -1.166146     -1.138349      4.291678
  C      -1.514808     -1.460928      2.816593
  O      -2.247398     -0.476662      2.043245
  C      -3.246559      0.220572      2.597176
  O      -3.474569      0.145802      3.843765
  C      -4.007761      1.045512      1.662388
  N      -5.259151      1.311644      2.099132
  C      -6.056356      2.018381      1.287724
  N      -5.753648      2.557535      0.114390
  C      -4.481522      2.345250     -0.332642
  C      -4.098868      2.941895     -1.558092
  C      -2.829048      2.756635     -2.062681
  C      -1.899817      1.964068     -1.360703
  C      -2.243162      1.364293     -0.161405
  C      -3.535247      1.539426      0.392462
  C      -4.380643     -0.413163      6.599730
  C      -5.364715     -0.096102      7.724122
  O      -5.863342      1.257667      7.664443
  C      -6.924938      1.463867      6.848711
  O      -7.397661      0.608451      6.122148
  C      -7.433204      2.878852      6.972571
  N      -6.611335      3.745460      7.552122
  C      -7.023353      5.029367      7.636461
  N      -8.156794      5.535358      7.197300
  C      -9.026161      4.659947      6.619935
  C     -10.264907      5.154405      6.142820
  C     -11.176161      4.296367      5.570335
  C     -10.885837      2.916996      5.456706
  C      -9.684813      2.403492      5.900547
  C      -8.718638      3.262759      6.485087
  H      -3.033458      4.238319      7.725647
  H      -4.271006      3.398109      6.779954
  H      -2.945386      5.823627      5.521880
  H      -4.140638      6.054458      6.843454
  H      -8.923206      3.623948      3.535200
  H      -8.708844      5.805251     -0.482349
  H      -6.976893      7.169111     -1.658939
  H      -4.768973      7.573453     -0.586895
  H      -4.245043      6.610204      1.619175
  H      -1.969408     -1.545387      4.923597
  H      -0.254040     -1.719688      4.510695
  H      -2.108184     -2.386292      2.797759
  H      -0.608668     -1.607706      2.215324
  H      -7.079985      2.160929      1.642296
  H      -4.844216      3.543320     -2.079740
  H      -2.542458      3.220129     -3.007541
  H      -0.899100      1.815559     -1.768236
  H      -1.511746      0.740385      0.347344
  H      -4.873478     -0.213251      5.638943
  H      -4.163450     -1.496971      6.634675
  H      -6.202865     -0.804703      7.663757
  H      -4.900678     -0.159586      8.715431
  H      -6.328926      5.721758      8.121854
  H     -10.463462      6.220484      6.252566
  H     -12.130144      4.677455      5.204187
  H     -11.622007      2.249360      5.007805
  H      -9.463531      1.344345      5.796640
  N      -1.844450      2.628227      3.246229
  H      -2.648758      3.168038      2.912561
  H      -1.495163      2.054955      2.475424
  H      -1.122047      3.323756      3.449643
99
Coordinates from ORCA-job orca E -6652.818914175115
  N      -2.318691      3.333025      5.997653
  Mo     -2.382474      1.481021      5.250844
  N      -3.129983      0.333374      6.662554
  C      -2.259130     -0.126526      7.751672
  C      -1.351659      1.000721      8.197364
  N      -0.593832      1.550779      7.055560
  C      -0.206139      2.969703      7.200072
  C      -0.986509      3.864874      6.213322
  C       0.487893      0.680805      6.556077
  C       0.445006      0.669923      5.024878
  N      -0.887109      0.287361      4.605428
  H      -0.418742      3.915390      5.268458
  H      -1.039742      4.892692      6.607178
  H       0.869629      3.070494      7.000539
  H      -0.383899      3.292836      8.234453
  H       1.207990     -0.012659      4.617560
  H       0.683835      1.681475      4.649659
  H       0.330946     -0.336641      6.935496
  H       1.465492      1.034280      6.921588
  H      -2.849173     -0.461535      8.619228
  H      -1.676586     -1.002624      7.408179
  H      -1.970853      1.813345      8.599468
  H      -0.667902      0.662214      8.995790
  C      -3.387910      4.035577      6.697737
  C      -3.794978      5.380586      6.068766
  O      -4.926237      5.260295      5.176158
  C      -4.707211      5.103566      3.865178
  O      -3.602322      5.030723      3.343735
  C      -6.013069      5.043371      3.111867
  N      -6.994164      4.384107      3.714615
  C      -8.163963      4.278045      3.042171
  N      -8.440575      4.758384      1.844849
  C      -7.446847      5.450029      1.219440
  C      -7.700267      5.994955     -0.063336
  C      -6.722683      6.715613     -0.710958
  C      -5.462329      6.925181     -0.101418
  C      -5.180657      6.401510      1.140307
  C      -6.160655      5.639727      1.827590
  C      -1.118146     -1.110563      4.274977
  C      -1.463057     -1.423025      2.796981
  O      -2.226981     -0.459446      2.029028
  C      -3.222211      0.246037      2.586774
  O      -3.411767      0.202273      3.850533
  C      -4.001405      1.051318      1.661525
  N      -5.240611      1.338737      2.127853
  C      -6.051798      2.037334      1.325136
  N      -5.779214      2.550999      0.132444
  C      -4.519998      2.321401     -0.343345
  C      -4.165040      2.893611     -1.588413
  C      -2.907883      2.696255     -2.120220
  C      -1.963699      1.915200     -1.426315
  C      -2.281286      1.336842     -0.209019
  C      -3.559444      1.523946      0.371262
  C      -4.378429     -0.424638      6.570684
  C      -5.366190     -0.121284      7.695414
  O      -5.856551      1.235326      7.647485
  C      -6.922371      1.451098      6.839551
  O      -7.409593      0.598131      6.120158
  C      -7.428317      2.866292      6.978689
  N      -6.606556      3.725749      7.569058
  C      -7.017552      5.008618      7.668766
  N      -8.149820      5.521196      7.233546
  C      -9.018738      4.653319      6.644861
  C     -10.256299      5.154213      6.171188
  C     -11.167646      4.303425      5.588348
  C     -10.878570      2.924992      5.459836
  C      -9.678571      2.405527      5.899214
  C      -8.712518      3.257389      6.494549
  H      -3.057787      4.245611      7.732669
  H      -4.288467      3.408495      6.773806
  H      -2.950315      5.832333      5.530228
  H      -4.150040      6.066944      6.847737
  H      -8.958037      3.721458      3.546835
  H      -8.681957      5.827457     -0.505708
  H      -6.918920      7.136883     -1.697470
  H      -4.706558      7.512808     -0.623683
  H      -4.209315      6.573016      1.597813
  H      -1.918349     -1.530420      4.902461
  H      -0.201506     -1.687090      4.487697
  H      -2.023954     -2.368599      2.770743
  H      -0.552568     -1.536842      2.194923
  H      -7.064839      2.193453      1.703228
  H      -4.921276      3.487210     -2.103198
  H      -2.643770      3.141984     -3.080017
  H      -0.972638      1.757705     -1.853416
  H      -1.539716      0.719850      0.293244
  H      -4.866424     -0.198739      5.612947
  H      -4.165979     -1.509582      6.579439
  H      -6.206306     -0.826244      7.622007
  H      -4.907051     -0.198007      8.688045
  H      -6.322409      5.694807      8.161808
  H     -10.453926      6.219161      6.292317
  H     -12.120665      4.689466      5.225098
  H     -11.614896      2.263126      5.002869
  H      -9.457954      1.347447      5.784115
  N      -1.853095      2.640872      3.252994
  H      -2.662694      3.179549      2.929963
  H      -1.511691      2.067126      2.479322
  H      -1.129247      3.336370      3.450538
99
Coordinates from ORCA-job orca E -6652.821755397137
  N      -2.294527      3.337563      6.007015
  Mo     -2.355125      1.484692      5.254901
  N      -3.123917      0.327779      6.652743
  C      -2.265701     -0.145886      7.757391
  C      -1.356189      0.975366      8.224949
  N      -0.588054      1.534645      7.089690
  C      -0.199008      2.956194      7.258565
  C      -0.954404      3.861458      6.256718
  C       0.500089      0.662983      6.597560
  C       0.486161      0.672207      5.061537
  N      -0.846572      0.302949      4.601086
  H      -0.368885      3.913053      5.322341
  H      -1.007660      4.889185      6.651632
  H       0.883098      3.056561      7.095104
  H      -0.407785      3.264630      8.292085
  H       1.255110     -0.008935      4.661983
  H       0.739425      1.687048      4.705407
  H       0.325889     -0.359009      6.958414
  H       1.472060      1.002856      6.991008
  H      -2.869099     -0.485884      8.614095
  H      -1.681692     -1.021457      7.415433
  H      -1.976138      1.787243      8.627666
  H      -0.677652      0.629766      9.025035
  C      -3.370335      4.043667      6.698930
  C      -3.763062      5.392935      6.075829
  O      -4.898612      5.286036      5.185330
  C      -4.691121      5.125178      3.872349
  O      -3.593312      5.037859      3.338890
  C      -6.005700      5.082597      3.134122
  N      -6.994675      4.459079      3.759846
  C      -8.177271      4.373570      3.103485
  N      -8.456117      4.840474      1.900311
  C      -7.451431      5.493647      1.250881
  C      -7.704186      6.022157     -0.039121
  C      -6.714986      6.706325     -0.709087
  C      -5.442719      6.895737     -0.115828
  C      -5.161122      6.386846      1.132740
  C      -6.153276      5.661110      1.841943
  C      -1.081719     -1.095558      4.259252
  C      -1.423586     -1.400883      2.779522
  O      -2.212243     -0.452730      2.013067
  C      -3.201735      0.269116      2.568629
  O      -3.358897      0.258503      3.848419
  C      -3.995688      1.067352      1.655771
  N      -5.209846      1.396235      2.159483
  C      -6.031821      2.099148      1.369713
  N      -5.788636      2.581901      0.156286
  C      -4.550237      2.314616     -0.355077
  C      -4.222124      2.857065     -1.620903
  C      -2.984037      2.627515     -2.185766
  C      -2.033004      1.842707     -1.504031
  C      -2.326363      1.290884     -0.267889
  C      -3.584297      1.510109      0.344468
  C      -4.385993     -0.416531      6.550076
  C      -5.374492     -0.117571      7.674114
  O      -5.856871      1.243087      7.628140
  C      -6.933939      1.449891      6.831281
  O      -7.437668      0.581582      6.142918
  C      -7.446300      2.866078      6.954481
  N      -6.625901      3.740133      7.523190
  C      -7.046625      5.022972      7.606589
  N      -8.188087      5.520260      7.174285
  C      -9.055173      4.635998      6.606951
  C     -10.301027      5.119809      6.136361
  C     -11.210708      4.252169      5.574763
  C     -10.910530      2.873640      5.464257
  C      -9.701874      2.370986      5.900286
  C      -8.737743      3.239974      6.475281
  H      -3.051175      4.244426      7.739206
  H      -4.274383      3.419878      6.764205
  H      -2.914930      5.842094      5.540352
  H      -4.114148      6.076529      6.858904
  H      -8.979047      3.848497      3.629629
  H      -8.694494      5.871295     -0.468810
  H      -6.910876      7.114988     -1.701289
  H      -4.678121      7.455434     -0.656136
  H      -4.180867      6.541882      1.578391
  H      -1.882280     -1.517664      4.884169
  H      -0.166903     -1.676229      4.469794
  H      -1.956209     -2.362988      2.746466
  H      -0.510185     -1.488690      2.177832
  H      -7.028376      2.287289      1.777152
  H      -4.982461      3.454911     -2.124574
  H      -2.740544      3.050874     -3.161248
  H      -1.056722      1.660786     -1.955399
  H      -1.581636      0.670046      0.224761
  H      -4.869566     -0.173599      5.595066
  H      -4.184470     -1.504083      6.544573
  H      -6.219313     -0.816032      7.594794
  H      -4.918645     -0.204117      8.667943
  H      -6.350193      5.722788      8.078602
  H     -10.506211      6.185161      6.242780
  H     -12.170290      4.624677      5.213911
  H     -11.645329      2.198546      5.023800
  H      -9.473342      1.313276      5.799133
  N      -1.811329      2.673835      3.247404
  H      -2.615158      3.227246      2.930314
  H      -1.476092      2.103656      2.468809
  H      -1.079154      3.358478      3.452197
99
Coordinates from ORCA-job orca E -6652.823361381642
  N      -2.296388      3.326098      5.994867
  Mo     -2.343318      1.476788      5.226666
  N      -3.116648      0.319799      6.630513
  C      -2.264873     -0.132848      7.745647
  C      -1.356359      0.991809      8.205261
  N      -0.580026      1.543545      7.064441
  C      -0.194293      2.971564      7.249295
  C      -0.955556      3.863394      6.245690
  C       0.520784      0.670528      6.604650
  C       0.514444      0.667126      5.068000
  N      -0.820194      0.295440      4.618480
  H      -0.363152      3.919464      5.315669
  H      -1.018989      4.894398      6.630453
  H       0.888976      3.083092      7.100642
  H      -0.417719      3.266596      8.284387
  H       1.275769     -0.024507      4.671561
  H       0.774953      1.676909      4.705226
  H       0.343321     -0.350344      6.967727
  H       1.483758      1.019842      7.010599
  H      -2.877799     -0.459790      8.601225
  H      -1.679032     -1.015727      7.422109
  H      -1.978408      1.808674      8.594123
  H      -0.678109      0.657091      9.009742
  C      -3.373307      4.023586      6.688168
  C      -3.774821      5.374104      6.085309
  O      -4.919267      5.276048      5.201611
  C      -4.715618      5.132089      3.888964
  O      -3.620511      5.042832      3.349401
  C      -6.034797      5.094578      3.147459
  N      -7.032509      4.485940      3.771471
  C      -8.212900      4.406954      3.105683
  N      -8.479629      4.873651      1.898435
  C      -7.461370      5.509560      1.251097
  C      -7.696806      6.028949     -0.046353
  C      -6.690729      6.687466     -0.718076
  C      -5.418713      6.861034     -0.115798
  C      -5.156134      6.363748      1.142559
  C      -6.165633      5.663536      1.850377
  C      -1.067743     -1.097073      4.278658
  C      -1.398531     -1.397195      2.794392
  O      -2.171264     -0.443472      2.020032
  C      -3.174508      0.277457      2.558766
  O      -3.361530      0.249898      3.826711
  C      -3.967492      1.082259      1.652309
  N      -5.164570      1.446788      2.167710
  C      -5.983076      2.155116      1.377744
  N      -5.743975      2.618634      0.154904
  C      -4.518109      2.317366     -0.368219
  C      -4.191139      2.837465     -1.646054
  C      -2.966565      2.572082     -2.222616
  C      -2.025186      1.772300     -1.541404
  C      -2.315442      1.243454     -0.295032
  C      -3.561746      1.500207      0.329404
  C      -4.380698     -0.416363      6.515437
  C      -5.387638     -0.119608      7.622789
  O      -5.883082      1.239608      7.590746
  C      -6.960527      1.450231      6.797574
  O      -7.453297      0.598337      6.083687
  C      -7.473498      2.870464      6.944048
  N      -6.649281      3.735592      7.518367
  C      -7.075207      5.016311      7.637952
  N      -8.231420      5.513292      7.246212
  C      -9.101926      4.635771      6.670093
  C     -10.361846      5.122007      6.239311
  C     -11.274455      4.263605      5.667267
  C     -10.962074      2.892046      5.505143
  C      -9.740531      2.388223      5.902281
  C      -8.774543      3.247158      6.490121
  H      -3.055048      4.215127      7.731903
  H      -4.270467      3.390379      6.751223
  H      -2.935552      5.840968      5.551150
  H      -4.127115      6.040769      6.881944
  H      -9.022143      3.892522      3.632501
  H      -8.687853      5.887866     -0.479338
  H      -6.871189      7.087343     -1.717250
  H      -4.638656      7.399695     -0.656384
  H      -4.173609      6.511480      1.589626
  H      -1.884495     -1.495823      4.897559
  H      -0.163071     -1.687717      4.505993
  H      -1.939245     -2.355378      2.762925
  H      -0.478598     -1.495226      2.203828
  H      -6.971221      2.375090      1.795740
  H      -4.944916      3.448152     -2.145132
  H      -2.725050      2.977390     -3.206887
  H      -1.058377      1.561601     -2.001937
  H      -1.579163      0.614400      0.200488
  H      -4.840998     -0.182445      5.546840
  H      -4.182682     -1.505183      6.527592
  H      -6.229913     -0.820335      7.534125
  H      -4.941794     -0.210115      8.621689
  H      -6.369807      5.708391      8.110398
  H     -10.574982      6.182062      6.382632
  H     -12.244676      4.638136      5.336621
  H     -11.698920      2.224366      5.055506
  H      -9.503413      1.336390      5.763516
  N      -1.772387      2.690287      3.237312
  H      -2.559937      3.261328      2.903115
  H      -1.439631      2.122118      2.453590
  H      -1.030705      3.365263      3.443123
99
Coordinates from ORCA-job orca E -6652.825934036509
  N      -2.284021      3.318457      6.008453
  Mo     -2.321401      1.478316      5.233319
  N      -3.101411      0.313487      6.625664
  C      -2.264945     -0.142645      7.749460
  C      -1.363480      0.979840      8.221673
  N      -0.583020      1.539687      7.085585
  C      -0.202206      2.969305      7.290281
  C      -0.946606      3.859182      6.276964
  C       0.525729      0.672967      6.636636
  C       0.546154      0.688680      5.100848
  N      -0.781723      0.328381      4.626585
  H      -0.347979      3.914952      5.351408
  H      -1.016372      4.891144      6.656877
  H       0.884201      3.085219      7.171824
  H      -0.453340      3.253596      8.321515
  H       1.308684     -0.002505      4.707665
  H       0.814341      1.700794      4.752876
  H       0.336810     -0.352089      6.981400
  H       1.480894      1.013504      7.066101
  H      -2.888273     -0.471962      8.595818
  H      -1.675279     -1.024378      7.430998
  H      -1.990388      1.792481      8.610987
  H      -0.687387      0.643091      9.026202
  C      -3.367804      4.004551      6.702651
  C      -3.755057      5.366491      6.114700
  O      -4.899092      5.288579      5.227965
  C      -4.695040      5.147415      3.913360
  O      -3.599792      5.031076      3.379584
  C      -6.014680      5.140568      3.171773
  N      -7.028672      4.577208      3.813295
  C      -8.214153      4.518632      3.154317
  N      -8.472696      4.963475      1.938503
  C      -7.441143      5.555782      1.272073
  C      -7.671223      6.050548     -0.035311
  C      -6.652848      6.666149     -0.727626
  C      -5.373975      6.821477     -0.137256
  C      -5.114993      6.346362      1.130902
  C      -6.137171      5.687882      1.861535
  C      -1.032954     -1.064016      4.276270
  C      -1.354569     -1.347393      2.787849
  O      -2.152317     -0.411088      2.018013
  C      -3.162231      0.305725      2.554008
  O      -3.332282      0.288764      3.829736
  C      -3.968471      1.109333      1.668884
  N      -5.134871      1.517656      2.223082
  C      -5.970372      2.220800      1.446929
  N      -5.774880      2.641121      0.201255
  C      -4.574921      2.304834     -0.360990
  C      -4.291927      2.783574     -1.664628
  C      -3.093409      2.485831     -2.279951
  C      -2.136600      1.693662     -1.611936
  C      -2.386547      1.202298     -0.341266
  C      -3.604927      1.492049      0.321765
  C      -4.366528     -0.417307      6.497747
  C      -5.380997     -0.129642      7.598523
  O      -5.886413      1.226961      7.566753
  C      -6.971841      1.426535      6.779113
  O      -7.454295      0.571561      6.060944
  C      -7.486602      2.845799      6.913758
  N      -6.663177      3.711641      7.486818
  C      -7.090113      4.992988      7.601381
  N      -8.247595      5.486772      7.211963
  C      -9.116970      4.608661      6.634930
  C     -10.377050      5.094638      6.205438
  C     -11.287377      4.237123      5.628048
  C     -10.971667      2.867259      5.459846
  C      -9.750448      2.363332      5.858360
  C      -8.786501      3.220868      6.452438
  H      -3.062328      4.177193      7.753538
  H      -4.267389      3.371863      6.748785
  H      -2.912846      5.836446      5.588168
  H      -4.103665      6.025015      6.919592
  H      -9.033876      4.038710      3.696151
  H      -8.668590      5.925517     -0.458562
  H      -6.829018      7.046793     -1.735090
  H      -4.584268      7.327257     -0.695225
  H      -4.127355      6.479424      1.567070
  H      -1.850231     -1.465754      4.892576
  H      -0.131148     -1.660529      4.499076
  H      -1.861272     -2.323598      2.741536
  H      -0.429081     -1.408915      2.200408
  H      -6.936228      2.471810      1.896965
  H      -5.057513      3.389341     -2.152173
  H      -2.884793      2.859485     -3.284073
  H      -1.190332      1.458071     -2.102174
  H      -1.640794      0.578281      0.145233
  H      -4.815599     -0.179953      5.524674
  H      -4.170425     -1.506731      6.509426
  H      -6.219364     -0.832990      7.501994
  H      -4.940885     -0.223203      8.599740
  H      -6.387313      5.685374      8.076222
  H     -10.591449      6.153942      6.351835
  H     -12.257485      4.611345      5.296831
  H     -11.706011      2.200623      5.004788
  H      -9.511975      1.312657      5.715596
  N      -1.746723      2.726766      3.242817
  H      -2.530433      3.306393      2.917350
  H      -1.423053      2.162369      2.451356
  H      -0.998459      3.394834      3.450510
99
Coordinates from ORCA-job orca E -6652.827754273500
  N      -2.250695      3.286085      6.021754
  Mo     -2.307063      1.471685      5.247137
  N      -3.072447      0.319278      6.644366
  C      -2.248576     -0.131834      7.769557
  C      -1.346250      0.987070      8.236133
  N      -0.567090      1.538986      7.097720
  C      -0.184844      2.964982      7.303626
  C      -0.926115      3.842299      6.283960
  C       0.536830      0.673961      6.653821
  C       0.558095      0.694853      5.121719
  N      -0.770544      0.356189      4.658109
  H      -0.342666      3.895411      5.350488
  H      -1.002794      4.877348      6.651373
  H       0.902242      3.081757      7.198491
  H      -0.447302      3.251399      8.330060
  H       1.304809     -0.007966      4.722888
  H       0.834389      1.702216      4.770449
  H       0.336276     -0.350444      6.993596
  H       1.494235      1.002899      7.084981
  H      -2.874396     -0.450882      8.616649
  H      -1.663407     -1.019315      7.462293
  H      -1.971709      1.801250      8.623537
  H      -0.672058      0.649960      9.040809
  C      -3.336887      3.953098      6.730504
  C      -3.702981      5.330464      6.156059
  O      -4.845432      5.282326      5.267076
  C      -4.641252      5.153052      3.945967
  O      -3.545442      5.009775      3.421730
  C      -5.959588      5.201433      3.212401
  N      -6.984532      4.680861      3.876550
  C      -8.181864      4.656688      3.238836
  N      -8.447060      5.094053      2.025922
  C      -7.413019      5.647969      1.333362
  C      -7.658192      6.134391      0.027565
  C      -6.638514      6.711407     -0.692729
  C      -5.345514      6.838039     -0.134933
  C      -5.068869      6.369689      1.132723
  C      -6.091553      5.746538      1.895710
  C      -1.040892     -1.041141      4.307016
  C      -1.358234     -1.306679      2.818943
  O      -2.165615     -0.381159      2.047911
  C      -3.192897      0.322486      2.573018
  O      -3.353813      0.314898      3.856926
  C      -4.007833      1.129346      1.714556
  N      -5.137612      1.583377      2.310728
  C      -5.988968      2.290034      1.556196
  N      -5.840253      2.674112      0.294709
  C      -4.669941      2.305130     -0.311126
  C      -4.437281      2.754904     -1.632279
  C      -3.270409      2.424176     -2.292824
  C      -2.301591      1.627975     -1.650667
  C      -2.506384      1.163932     -0.360838
  C      -3.689114      1.487027      0.347071
  C      -4.336951     -0.405406      6.523683
  C      -5.352458     -0.110521      7.616244
  O      -5.862125      1.243949      7.554166
  C      -6.941934      1.412344      6.746062
  O      -7.401019      0.529923      6.042320
  C      -7.477489      2.819956      6.830232
  N      -6.669372      3.710442      7.385120
  C      -7.116267      4.988479      7.454137
  N      -8.276634      5.452498      7.044732
  C      -9.129090      4.549557      6.482270
  C     -10.389362      5.008537      6.028967
  C     -11.279780      4.125848      5.457695
  C     -10.941701      2.758845      5.321530
  C      -9.719510      2.280330      5.748171
  C      -8.775697      3.163114      6.338055
  H      -3.038747      4.105139      7.786272
  H      -4.241355      3.323328      6.769624
  H      -2.857914      5.802525      5.636864
  H      -4.042775      5.981840      6.970245
  H      -9.004068      4.208064      3.800157
  H      -8.667702      6.034416     -0.371412
  H      -6.826208      7.085030     -1.700460
  H      -4.556461      7.315305     -0.717468
  H      -4.072833      6.480182      1.544957
  H      -1.852083     -1.441102      4.931189
  H      -0.145327     -1.650691      4.517350
  H      -1.846339     -2.292411      2.757959
  H      -0.428144     -1.347423      2.237226
  H      -6.926569      2.570817      2.040340
  H      -5.212472      3.365242     -2.098609
  H      -3.097158      2.774301     -3.311487
  H      -1.382089      1.366250     -2.176481
  H      -1.754112      0.536403      0.107844
  H      -4.778660     -0.187935      5.543023
  H      -4.143773     -1.495469      6.560480
  H      -6.189936     -0.812961      7.520528
  H      -4.918400     -0.196740      8.620512
  H      -6.431233      5.703410      7.917264
  H     -10.619098      6.067340      6.148737
  H     -12.250042      4.478469      5.105550
  H     -11.658761      2.073050      4.868825
  H      -9.464988      1.231053      5.629200
  N      -1.710492      2.750561      3.248768
  H      -2.487520      3.337849      2.930032
  H      -1.396788      2.184106      2.453957
  H      -0.954059      3.410640      3.455657
99
Coordinates from ORCA-job orca E -6652.829567570941
  N      -2.271341      3.276525      6.009913
  Mo     -2.288335      1.470529      5.216974
  N      -3.089102      0.308147      6.587337
  C      -2.297781     -0.146793      7.736970
  C      -1.409922      0.972675      8.234598
  N      -0.605894      1.536805      7.117671
  C      -0.239882      2.965967      7.348644
  C      -0.955130      3.842484      6.311579
  C       0.518414      0.680810      6.704015
  C       0.588589      0.714056      5.171690
  N      -0.727460      0.376850      4.665509
  H      -0.347271      3.901882      5.394200
  H      -1.049065      4.876872      6.677510
  H       0.849565      3.091482      7.286270
  H      -0.542827      3.239711      8.367589
  H       1.347599      0.014903      4.789416
  H       0.873996      1.724864      4.837675
  H       0.311115     -0.348079      7.026222
  H       1.458621      1.010409      7.171002
  H      -2.948929     -0.467300      8.564472
  H      -1.704406     -1.034914      7.446501
  H      -2.048086      1.781953      8.611297
  H      -0.752541      0.634528      9.052702
  C      -3.379631      3.923732      6.707751
  C      -3.759864      5.301448      6.146736
  O      -4.901781      5.256721      5.257866
  C      -4.689178      5.150048      3.936676
  O      -3.586533      5.052003      3.417125
  C      -6.000693      5.181146      3.191722
  N      -7.033153      4.657214      3.840641
  C      -8.215729      4.611276      3.175322
  N      -8.457909      5.030248      1.950161
  C      -7.412805      5.583542      1.273663
  C      -7.626310      6.042369     -0.047756
  C      -6.589531      6.608523     -0.753555
  C      -5.311377      6.751443     -0.164834
  C      -5.067651      6.311922      1.119726
  C      -6.107818      5.702293      1.866576
  C      -0.985833     -1.016866      4.276691
  C      -1.260132     -1.250446      2.776580
  O      -2.069847     -0.327953      2.006704
  C      -3.120914      0.358147      2.515095
  O      -3.290815      0.356457      3.807278
  C      -3.935168      1.149899      1.650322
  N      -5.051542      1.638451      2.246914
  C      -5.902077      2.331444      1.479854
  N      -5.763574      2.679485      0.206219
  C      -4.601818      2.283194     -0.399819
  C      -4.372081      2.701587     -1.731792
  C      -3.214291      2.341279     -2.393212
  C      -2.251649      1.546865     -1.740448
  C      -2.453008      1.115619     -0.438598
  C      -3.626030      1.469833      0.269934
  C      -4.360571     -0.402719      6.435230
  C      -5.385434     -0.106360      7.519539
  O      -5.867975      1.259614      7.484771
  C      -6.952633      1.471492      6.693520
  O      -7.434275      0.620175      5.967710
  C      -7.488393      2.872429      6.864963
  N      -6.664921      3.736559      7.439443
  C      -7.121079      5.001937      7.611893
  N      -8.306626      5.473815      7.294050
  C      -9.173805      4.598024      6.711269
  C     -10.462777      5.065687      6.358456
  C     -11.367695      4.211715      5.766553
  C     -11.015554      2.865855      5.509176
  C      -9.767015      2.379263      5.839311
  C      -8.808688      3.231775      6.449238
  H      -3.101674      4.065702      7.770476
  H      -4.274093      3.280484      6.727098
  H      -2.919218      5.788452      5.634275
  H      -4.107912      5.939047      6.968379
  H      -9.044734      4.158703      3.722961
  H      -8.624391      5.927958     -0.470602
  H      -6.751458      6.958871     -1.773934
  H      -4.508130      7.217872     -0.736520
  H      -4.081990      6.432568      1.558264
  H      -1.811402     -1.430277      4.871952
  H      -0.094388     -1.628663      4.498238
  H      -1.717962     -2.248124      2.679651
  H      -0.313981     -1.253602      2.220165
  H      -6.830616      2.636449      1.965991
  H      -5.140864      3.313706     -2.205177
  H      -3.043693      2.667018     -3.420271
  H      -1.339204      1.261743     -2.266201
  H      -1.704313      0.491917      0.040797
  H      -4.782897     -0.172330      5.449327
  H      -4.181796     -1.495804      6.465803
  H      -6.235231     -0.791292      7.403966
  H      -4.963489     -0.220460      8.526212
  H      -6.421077      5.695025      8.086148
  H     -10.701517      6.108284      6.568320
  H     -12.359572      4.571353      5.490228
  H     -11.743476      2.202949      5.040144
  H      -9.503868      1.346146      5.630733
  N      -1.647217      2.781959      3.231295
  H      -2.416082      3.378902      2.904349
  H      -1.324765      2.220248      2.437409
  H      -0.890849      3.434524      3.455736
99
Coordinates from ORCA-job orca E -6652.831104025652
  N      -2.274920      3.274520      6.027311
  Mo     -2.277762      1.471296      5.228327
  N      -3.080190      0.301907      6.595009
  C      -2.292735     -0.154322      7.750730
  C      -1.407603      0.966516      8.256991
  N      -0.604285      1.537006      7.143150
  C      -0.245295      2.969216      7.374900
  C      -0.956348      3.843343      6.328792
  C       0.526996      0.684102      6.733881
  C       0.603692      0.718654      5.199267
  N      -0.715060      0.385509      4.685252
  H      -0.343728      3.891696      5.413325
  H      -1.050428      4.881499      6.686090
  H       0.844595      3.098462      7.320323
  H      -0.558213      3.245932      8.390891
  H       1.363965      0.018757      4.818777
  H       0.893483      1.731148      4.870082
  H       0.323981     -0.346962      7.053209
  H       1.464792      1.017143      7.205324
  H      -2.947978     -0.477016      8.574993
  H      -1.696294     -1.042542      7.462863
  H      -2.049247      1.771640      8.637333
  H      -0.749335      0.626654      9.074956
  C      -3.390552      3.918384      6.720417
  C      -3.764462      5.303894      6.174303
  O      -4.899290      5.268567      5.275809
  C      -4.681268      5.177154      3.952806
  O      -3.577057      5.080293      3.435907
  C      -5.989782      5.207545      3.200614
  N      -7.034087      4.713387      3.853792
  C      -8.214532      4.672477      3.184407
  N      -8.444635      5.073596      1.949311
  C      -7.386367      5.596878      1.268708
  C      -7.586091      6.036643     -0.062290
  C      -6.535713      6.570502     -0.774269
  C      -5.256633      6.697339     -0.181827
  C      -5.027351      6.276981      1.111918
  C      -6.082199      5.703019      1.866089
  C      -0.971614     -0.999873      4.257732
  C      -1.223813     -1.189429      2.749225
  O      -2.038297     -0.250292      2.008431
  C      -3.103101      0.406998      2.527942
  O      -3.277405      0.390267      3.821052
  C      -3.928127      1.190986      1.665035
  N      -5.035750      1.684713      2.278621
  C      -5.913387      2.350146      1.518271
  N      -5.812274      2.671773      0.233650
  C      -4.662651      2.271398     -0.393099
  C      -4.473843      2.661284     -1.740063
  C      -3.335349      2.288799     -2.428238
  C      -2.351845      1.509734     -1.787915
  C      -2.511134      1.109476     -0.469747
  C      -3.661757      1.479498      0.267152
  C      -4.348291     -0.420935      6.431121
  C      -5.390566     -0.131560      7.505468
  O      -5.875470      1.232775      7.482560
  C      -6.952002      1.457927      6.684980
  O      -7.420341      0.622342      5.934313
  C      -7.487663      2.857637      6.872697
  N      -6.674342      3.716415      7.471621
  C      -7.132695      4.980189      7.652068
  N      -8.314335      5.455753      7.320162
  C      -9.170580      4.585577      6.712188
  C     -10.453497      5.055338      6.338569
  C     -11.343426      4.207753      5.715118
  C     -10.982580      2.866162      5.444874
  C      -9.740315      2.377393      5.794863
  C      -8.799057      3.222960      6.439010
  H      -3.124564      4.043897      7.788434
  H      -4.286772      3.280475      6.716055
  H      -2.916778      5.791606      5.674038
  H      -4.115686      5.934531      7.000817
  H      -9.055770      4.245795      3.737496
  H      -8.584842      5.933831     -0.487468
  H      -6.686615      6.905349     -1.801904
  H      -4.440683      7.136039     -0.758326
  H      -4.039265      6.383931      1.553810
  H      -1.806984     -1.423483      4.831190
  H      -0.083661     -1.618215      4.476386
  H      -1.662947     -2.191062      2.611241
  H      -0.270467     -1.155774      2.205992
  H      -6.830691      2.662065      2.025927
  H      -5.258214      3.261989     -2.202848
  H      -3.197054      2.592284     -3.467339
  H      -1.455362      1.213204     -2.335130
  H      -1.744294      0.499890      0.000456
  H      -4.764094     -0.193843      5.442037
  H      -4.161733     -1.512912      6.461891
  H      -6.237155     -0.819190      7.372543
  H      -4.982174     -0.252130      8.516888
  H      -6.435191      5.672120      8.134914
  H     -10.699281      6.094892      6.557683
  H     -12.330695      4.569291      5.423390
  H     -11.697955      2.208822      4.948349
  H      -9.468273      1.348181      5.574299
  N      -1.651243      2.803072      3.244039
  H      -2.421598      3.410435      2.940246
  H      -1.352887      2.244517      2.440090
  H      -0.881743      3.442243      3.459293
99
Coordinates from ORCA-job orca E -6652.832655699857
  N      -2.274286      3.263337      6.041708
  Mo     -2.273420      1.465867      5.245766
  N      -3.077189      0.302010      6.610520
  C      -2.294916     -0.160905      7.766352
  C      -1.407354      0.956880      8.277739
  N      -0.604766      1.531308      7.171877
  C      -0.252405      2.960408      7.393642
  C      -0.960533      3.834310      6.339723
  C       0.524758      0.680253      6.754158
  C       0.599002      0.712913      5.219119
  N      -0.723689      0.389950      4.704969
  H      -0.346877      3.869827      5.424839
  H      -1.052682      4.874947      6.691130
  H       0.837476      3.091648      7.338484
  H      -0.568514      3.249564      8.405320
  H       1.356426      0.009401      4.839201
  H       0.895089      1.724707      4.890101
  H       0.327373     -0.350878      7.077212
  H       1.467226      1.013584      7.217763
  H      -2.951435     -0.481264      8.591037
  H      -1.701720     -1.051812      7.479028
  H      -2.048497      1.758811      8.666113
  H      -0.752495      0.609021      9.096247
  C      -3.397733      3.900278      6.730786
  C      -3.769972      5.288146      6.186006
  O      -4.895047      5.253329      5.279377
  C      -4.668102      5.174120      3.955330
  O      -3.558723      5.098616      3.446355
  C      -5.969871      5.203977      3.195777
  N      -7.023491      4.723048      3.845061
  C      -8.198960      4.685546      3.169815
  N      -8.419017      5.080129      1.929756
  C      -7.352411      5.590709      1.253178
  C      -7.540759      6.026210     -0.081322
  C      -6.481246      6.546036     -0.790696
  C      -5.203560      6.660198     -0.192666
  C      -4.986088      6.244409      1.104093
  C      -6.050927      5.687810      1.857538
  C      -0.974520     -0.982958      4.233084
  C      -1.198370     -1.116402      2.716970
  O      -2.016828     -0.153557      2.010678
  C      -3.102254      0.454710      2.540106
  O      -3.289368      0.413731      3.831126
  C      -3.938694      1.225383      1.671743
  N      -5.057885      1.693233      2.289252
  C      -5.961474      2.322487      1.529462
  N      -5.881363      2.632878      0.241013
  C      -4.726101      2.259145     -0.391025
  C      -4.562664      2.640208     -1.742951
  C      -3.425056      2.284467     -2.441814
  C      -2.418617      1.531978     -1.807161
  C      -2.550576      1.145592     -0.481469
  C      -3.697351      1.500966      0.267215
  C      -4.345830     -0.425941      6.450098
  C      -5.390339     -0.128282      7.522823
  O      -5.862619      1.237618      7.495527
  C      -6.930503      1.467958      6.688207
  O      -7.392234      0.631071      5.934925
  C      -7.469690      2.864101      6.872056
  N      -6.665242      3.728709      7.477389
  C      -7.129568      4.989916      7.650842
  N      -8.311554      5.460193      7.309241
  C      -9.159321      4.584892      6.698041
  C     -10.442354      5.045733      6.313674
  C     -11.322007      4.191409      5.685376
  C     -10.952029      2.851275      5.421130
  C      -9.709910      2.370227      5.782109
  C      -8.779229      3.223394      6.430984
  H      -3.142084      4.017795      7.801794
  H      -4.293570      3.264798      6.708394
  H      -2.914971      5.769829      5.691887
  H      -4.123224      5.921848      7.009536
  H      -9.048978      4.271142      3.719414
  H      -8.537732      5.932323     -0.512402
  H      -6.623873      6.877519     -1.820555
  H      -4.379407      7.085657     -0.767482
  H      -4.000657      6.338001      1.555967
  H      -1.817194     -1.424006      4.781417
  H      -0.089028     -1.606716      4.445760
  H      -1.618273     -2.116891      2.523110
  H      -0.237138     -1.040063      2.192111
  H      -6.881664      2.612926      2.045377
  H      -5.363872      3.220075     -2.202476
  H      -3.306174      2.580557     -3.485367
  H      -1.524206      1.246766     -2.363521
  H      -1.762097      0.559938     -0.016625
  H      -4.768329     -0.205411      5.462985
  H      -4.156750     -1.517116      6.484341
  H      -6.240141     -0.811684      7.382471
  H      -4.989297     -0.252037      8.536518
  H      -6.438782      5.688588      8.134045
  H     -10.696277      6.084133      6.529008
  H     -12.309480      4.546277      5.386177
  H     -11.658980      2.188557      4.919685
  H      -9.429988      1.342414      5.565075
  N      -1.648262      2.815910      3.259613
  H      -2.423788      3.432124      2.989136
  H      -1.375280      2.260508      2.446282
  H      -0.865732      3.439528      3.468862
99
Coordinates from ORCA-job orca E -6652.833970275087
  N      -2.265563      3.257089      6.049816
  Mo     -2.259507      1.461111      5.258755
  N      -3.066217      0.301351      6.623081
  C      -2.288362     -0.160077      7.781025
  C      -1.400498      0.956451      8.295970
  N      -0.596428      1.533972      7.194907
  C      -0.250681      2.962977      7.411003
  C      -0.953580      3.830158      6.346519
  C       0.533311      0.684366      6.776555
  C       0.609372      0.713570      5.242361
  N      -0.715072      0.395917      4.727470
  H      -0.334223      3.853146      5.435579
  H      -1.044878      4.873851      6.688189
  H       0.839097      3.100126      7.363434
  H      -0.577070      3.259499      8.417317
  H       1.362448      0.004603      4.865036
  H       0.912351      1.722602      4.911890
  H       0.338094     -0.346265      7.102109
  H       1.476412      1.019165      7.238086
  H      -2.948426     -0.478257      8.603722
  H      -1.695332     -1.052115      7.496998
  H      -2.042109      1.756186      8.688274
  H      -0.748819      0.604148      9.115292
  C      -3.391910      3.880239      6.742954
  C      -3.767304      5.271591      6.211898
  O      -4.889395      5.239975      5.303407
  C      -4.656559      5.176287      3.980412
  O      -3.544090      5.099734      3.477648
  C      -5.955188      5.216471      3.212723
  N      -7.020633      4.767576      3.865490
  C      -8.194956      4.745573      3.189930
  N      -8.405348      5.127898      1.943417
  C      -7.326943      5.606379      1.262545
  C      -7.505920      6.028861     -0.077749
  C      -6.436594      6.517964     -0.793770
  C      -5.156819      6.614409     -0.195803
  C      -4.948353      6.211803      1.106206
  C      -6.023981      5.684457      1.867328
  C      -0.963964     -0.963338      4.223533
  C      -1.165972     -1.047341      2.703332
  O      -1.993671     -0.068585      2.024262
  C      -3.101890      0.496463      2.552590
  O      -3.296043      0.444284      3.840749
  C      -3.957937      1.250048      1.687682
  N      -5.063319      1.727309      2.325163
  C      -5.986892      2.342489      1.577912
  N      -5.940139      2.627920      0.281811
  C      -4.798454      2.248540     -0.370653
  C      -4.669646      2.607213     -1.733117
  C      -3.547771      2.245698     -2.453310
  C      -2.521488      1.510174     -1.830337
  C      -2.617777      1.147330     -0.495060
  C      -3.748861      1.507511      0.275243
  C      -4.330871     -0.431419      6.454192
  C      -5.388364     -0.139874      7.515030
  O      -5.866843      1.223153      7.487802
  C      -6.924850      1.451954      6.667424
  O      -7.370910      0.617783      5.902118
  C      -7.467625      2.848253      6.847212
  N      -6.671651      3.710566      7.466612
  C      -7.135900      4.971631      7.635834
  N      -8.313950      5.444006      7.281609
  C      -9.153966      4.571184      6.656928
  C     -10.432150      5.034007      6.257883
  C     -11.303815      4.183097      5.614601
  C     -10.931377      2.843664      5.349500
  C      -9.694581      2.360099      5.725112
  C      -8.771601      3.210245      6.389702
  H      -3.140995      3.983389      7.816545
  H      -4.284392      3.240835      6.704309
  H      -2.911223      5.757645      5.723259
  H      -4.121139      5.897978      7.039980
  H      -9.055143      4.357846      3.742979
  H      -8.504520      5.949767     -0.508280
  H      -6.572761      6.839435     -1.827646
  H      -4.324007      7.016216     -0.775233
  H      -3.963009      6.292567      1.558700
  H      -1.815955     -1.410825      4.751543
  H      -0.083700     -1.595064      4.434051
  H      -1.564346     -2.046997      2.464044
  H      -0.199028     -0.932302      2.195829
  H      -6.895590      2.640011      2.111914
  H      -5.484926      3.175104     -2.183040
  H      -3.456378      2.524753     -3.504424
  H      -1.639403      1.219361     -2.403368
  H      -1.812463      0.576871     -0.041099
  H      -4.747173     -0.213374      5.463325
  H      -4.135148     -1.520814      6.490613
  H      -6.232314     -0.826885      7.359096
  H      -5.000708     -0.266714      8.533794
  H      -6.452047      5.668213      8.131476
  H     -10.688537      6.071701      6.474139
  H     -12.287200      4.540046      5.304311
  H     -11.631951      2.183558      4.835712
  H      -9.412899      1.333327      5.507534
  N      -1.626998      2.832069      3.268299
  H      -2.405136      3.454833      3.021403
  H      -1.372593      2.279845      2.446251
  H      -0.834485      3.444620      3.472227
99
Coordinates from ORCA-job orca E -6652.835149944160
  N      -2.249464      3.258749      6.057998
  Mo     -2.250976      1.459050      5.275890
  N      -3.061737      0.307310      6.642055
  C      -2.281992     -0.153856      7.796258
  C      -1.387212      0.958200      8.309248
  N      -0.582797      1.535606      7.210733
  C      -0.236726      2.962045      7.418653
  C      -0.936227      3.825587      6.348085
  C       0.540612      0.683349      6.783783
  C       0.608720      0.705600      5.250977
  N      -0.719556      0.391310      4.744424
  H      -0.314429      3.836174      5.439160
  H      -1.019873      4.871559      6.683919
  H       0.852890      3.101609      7.370578
  H      -0.564370      3.266696      8.422116
  H       1.354801     -0.010676      4.874434
  H       0.917445      1.709978      4.913116
  H       0.347187     -0.345120      7.116717
  H       1.488615      1.018534      7.235248
  H      -2.941799     -0.468452      8.620494
  H      -1.692806     -1.047701      7.511128
  H      -2.023802      1.759056      8.707524
  H      -0.738349      0.598224      9.127485
  C      -3.370931      3.874619      6.760559
  C      -3.749581      5.267243      6.236339
  O      -4.870192      5.235892      5.327157
  C      -4.633490      5.184617      4.006482
  O      -3.518768      5.120548      3.505993
  C      -5.930439      5.229977      3.233351
  N      -7.002386      4.801426      3.888067
  C      -8.174933      4.785776      3.211842
  N      -8.379250      5.157078      1.960184
  C      -7.293228      5.611947      1.276040
  C      -7.465017      6.017401     -0.070661
  C      -6.389352      6.480061     -0.793646
  C      -5.108028      6.566553     -0.196010
  C      -4.906121      6.181366      1.111742
  C      -5.989756      5.680773      1.881204
  C      -0.970554     -0.952183      4.209079
  C      -1.161360     -0.987435      2.687341
  O      -1.992180      0.015988      2.040378
  C      -3.122093      0.538038      2.567572
  O      -3.323075      0.479147      3.851850
  C      -4.001215      1.268542      1.703664
  N      -5.111015      1.725743      2.346977
  C      -6.051656      2.320193      1.603580
  N      -6.018425      2.598002      0.305050
  C      -4.874558      2.237320     -0.352185
  C      -4.761596      2.587492     -1.719355
  C      -3.638285      2.243208     -2.444318
  C      -2.592536      1.533568     -1.822459
  C      -2.671727      1.180203     -0.484154
  C      -3.804940      1.523062      0.291420
  C      -4.321559     -0.428589      6.467926
  C      -5.386757     -0.142921      7.520133
  O      -5.871235      1.217593      7.487450
  C      -6.918107      1.440108      6.651604
  O      -7.357372      0.601219      5.887450
  C      -7.467753      2.836380      6.821940
  N      -6.680092      3.702352      7.445239
  C      -7.147128      4.963009      7.602916
  N      -8.321422      5.433270      7.232132
  C      -9.153399      4.555898      6.603864
  C     -10.428033      5.014926      6.188173
  C     -11.292531      4.159395      5.541765
  C     -10.916352      2.818542      5.288459
  C      -9.682877      2.338812      5.679246
  C      -8.767611      3.194025      6.348626
  H      -3.117388      3.970524      7.834189
  H      -4.261617      3.231856      6.715637
  H      -2.893468      5.755409      5.749640
  H      -4.104045      5.889903      7.066474
  H      -9.041656      4.418255      3.767471
  H      -8.464169      5.945376     -0.501099
  H      -6.520852      6.788067     -1.832064
  H      -4.269197      6.947173     -0.780847
  H      -3.920785      6.254410      1.563849
  H      -1.831996     -1.404613      4.717538
  H      -0.097703     -1.595649      4.413783
  H      -1.554975     -1.977919      2.405703
  H      -0.192453     -0.846809      2.190436
  H      -6.960428      2.609168      2.142087
  H      -5.590921      3.135642     -2.168030
  H      -3.560223      2.516230     -3.498029
  H      -1.708634      1.255542     -2.398908
  H      -1.850153      0.631373     -0.033086
  H      -4.734715     -0.210063      5.475221
  H      -4.119362     -1.516421      6.504110
  H      -6.225270     -0.833676      7.353942
  H      -5.008398     -0.269924      8.542626
  H      -6.469476      5.663282      8.101220
  H     -10.687664      6.053623      6.395148
  H     -12.272718      4.513895      5.219115
  H     -11.611214      2.154694      4.772015
  H      -9.398152      1.310925      5.471308
  N      -1.608944      2.844094      3.278245
  H      -2.387685      3.477268      3.061987
  H      -1.379137      2.297267      2.445123
  H      -0.803951      3.441956      3.474798
99
Coordinates from ORCA-job orca E -6652.836170691504
  N      -2.249691      3.260937      6.063270
  Mo     -2.244018      1.458765      5.284426
  N      -3.064242      0.306195      6.643586
  C      -2.287645     -0.153010      7.799058
  C      -1.394479      0.957839      8.317486
  N      -0.585156      1.540534      7.225357
  C      -0.245801      2.967386      7.436566
  C      -0.938410      3.826537      6.358497
  C       0.541228      0.691252      6.800282
  C       0.614134      0.710290      5.269036
  N      -0.712394      0.394084      4.760175
  H      -0.309946      3.833269      5.454558
  H      -1.022324      4.873690      6.690920
  H       0.843390      3.113788      7.399018
  H      -0.584094      3.270361      8.436997
  H       1.359107     -0.009650      4.897120
  H       0.926377      1.712013      4.927341
  H       0.350107     -0.336998      7.135101
  H       1.487339      1.030277      7.253152
  H      -2.951478     -0.468305      8.619875
  H      -1.696383     -1.045941      7.515453
  H      -2.031895      1.757438      8.716942
  H      -0.750621      0.593262      9.137562
  C      -3.373091      3.862420      6.772589
  C      -3.761046      5.253651      6.252303
  O      -4.875309      5.215593      5.334049
  C      -4.624981      5.175057      4.016916
  O      -3.504633      5.118558      3.527283
  C      -5.913950      5.218966      3.227131
  N      -6.996090      4.809070      3.876150
  C      -8.162920      4.799475      3.190675
  N      -8.352489      5.159748      1.933453
  C      -7.255112      5.592299      1.253686
  C      -7.411817      5.982211     -0.099590
  C      -6.326147      6.421579     -0.820967
  C      -5.048276      6.500714     -0.214507
  C      -4.860391      6.131408      1.099781
  C      -5.955346      5.653454      1.868314
  C      -0.962114     -0.933101      4.189560
  C      -1.136790     -0.922061      2.666313
  O      -1.968828      0.100258      2.046933
  C      -3.124136      0.577388      2.565600
  O      -3.332743      0.516794      3.848171
  C      -4.027375      1.279944      1.703032
  N      -5.141338      1.715931      2.350674
  C      -6.097317      2.290245      1.610983
  N      -6.077018      2.560675      0.310449
  C      -4.930927      2.219567     -0.351521
  C      -4.833400      2.561904     -1.722629
  C      -3.707310      2.238589     -2.451592
  C      -2.641443      1.557652     -1.830383
  C      -2.704949      1.211805     -0.489841
  C      -3.841667      1.533882      0.290348
  C      -4.318624     -0.430860      6.455252
  C      -5.390360     -0.154067      7.501215
  O      -5.874086      1.207668      7.474886
  C      -6.913475      1.439257      6.632849
  O      -7.349576      0.611036      5.855506
  C      -7.462776      2.835824      6.817963
  N      -6.676497      3.691159      7.456090
  C      -7.144894      4.948362      7.635771
  N      -8.319592      5.423685      7.273188
  C      -9.149683      4.556304      6.628816
  C     -10.426124      5.020481      6.223798
  C     -11.290218      4.175693      5.562872
  C     -10.911476      2.840693      5.283155
  C      -9.676483      2.356438      5.663026
  C      -8.761958      3.200388      6.347713
  H      -3.122227      3.954931      7.847196
  H      -4.257731      3.210808      6.721628
  H      -2.907080      5.752267      5.772933
  H      -4.126960      5.868768      7.083004
  H      -9.038215      4.447372      3.741971
  H      -8.408699      5.915753     -0.536038
  H      -6.446194      6.716931     -1.864355
  H      -4.200637      6.863141     -0.798057
  H      -3.877380      6.200689      1.556599
  H      -1.834927     -1.391507      4.673299
  H      -0.097878     -1.588919      4.390449
  H      -1.524251     -1.902937      2.345149
  H      -0.164959     -0.757125      2.183464
  H      -7.007269      2.568131      2.151970
  H      -5.677873      3.087844     -2.169655
  H      -3.642023      2.505806     -3.507561
  H      -1.754521      1.295685     -2.409596
  H      -1.868217      0.685520     -0.040475
  H      -4.723433     -0.205656      5.460527
  H      -4.114064     -1.518630      6.486725
  H      -6.228041     -0.843050      7.324341
  H      -5.019127     -0.289107      8.525351
  H      -6.469212      5.639513      8.148828
  H     -10.687559      6.054488      6.450649
  H     -12.271410      4.534449      5.248433
  H     -11.606121      2.185507      4.755704
  H      -9.390195      1.332799      5.436683
  N      -1.587303      2.864300      3.288985
  H      -2.363964      3.507270      3.096428
  H      -1.374857      2.328040      2.444474
  H      -0.774112      3.451041      3.483329
99
Coordinates from ORCA-job orca E -6652.837098759695
  N      -2.241464      3.270472      6.068289
  Mo     -2.233969      1.463192      5.293391
  N      -3.066947      0.310755      6.645325
  C      -2.291069     -0.150511      7.800619
  C      -1.396860      0.957348      8.323997
  N      -0.583489      1.543567      7.235103
  C      -0.245802      2.970875      7.452695
  C      -0.929135      3.829737      6.370305
  C       0.545042      0.694017      6.812386
  C       0.622875      0.707862      5.282043
  N      -0.702479      0.393383      4.770056
  H      -0.296985      3.834211      5.469254
  H      -1.009874      4.877679      6.702107
  H       0.843484      3.119052      7.426213
  H      -0.592757      3.269475      8.451365
  H       1.365689     -0.017738      4.916032
  H       0.940753      1.705915      4.934836
  H       0.353066     -0.333485      7.148844
  H       1.489386      1.034499      7.267894
  H      -2.956819     -0.468039      8.619069
  H      -1.698903     -1.042288      7.514967
  H      -2.032667      1.757344      8.725046
  H      -0.755949      0.587330      9.143814
  C      -3.363007      3.862731      6.789155
  C      -3.764057      5.252734      6.274778
  O      -4.877252      5.210565      5.353057
  C      -4.620642      5.188951      4.037851
  O      -3.496780      5.159474      3.553477
  C      -5.903612      5.223370      3.237441
  N      -6.992844      4.826609      3.882514
  C      -8.154817      4.817081      3.188266
  N      -8.332100      5.164870      1.925984
  C      -7.225884      5.577795      1.248692
  C      -7.368584      5.947174     -0.111983
  C      -6.273343      6.362692     -0.832609
  C      -4.999220      6.438017     -0.218002
  C      -4.824771      6.089951      1.104023
  C      -5.930161      5.637005      1.872044
  C      -0.958741     -0.916599      4.165862
  C      -1.127251     -0.865629      2.642309
  O      -1.957078      0.175072      2.050028
  C      -3.131959      0.615816      2.561871
  O      -3.338357      0.564579      3.847292
  C      -4.058874      1.286282      1.698392
  N      -5.177698      1.704854      2.345354
  C      -6.144042      2.261819      1.605848
  N      -6.131037      2.524197      0.303447
  C      -4.982415      2.196783     -0.359956
  C      -4.893498      2.531565     -1.733886
  C      -3.762978      2.225318     -2.462464
  C      -2.682723      1.569451     -1.838090
  C      -2.737666      1.231114     -0.495762
  C      -3.879520      1.535918      0.284328
  C      -4.316899     -0.427482      6.443021
  C      -5.393895     -0.164270      7.486918
  O      -5.879585      1.198104      7.469933
  C      -6.913657      1.436710      6.624067
  O      -7.345839      0.616639      5.836067
  C      -7.464590      2.832442      6.819762
  N      -6.682418      3.681001      7.471231
  C      -7.153149      4.936228      7.661911
  N      -8.325608      5.414310      7.297354
  C      -9.150922      4.553335      6.638100
  C     -10.424926      5.021521      6.230247
  C     -11.284749      4.183601      5.554987
  C     -10.903349      2.852002      5.262820
  C      -9.670510      2.364458      5.645003
  C      -8.760714      3.200962      6.344588
  H      -3.108697      3.955837      7.862820
  H      -4.242733      3.204082      6.741201
  H      -2.916339      5.764743      5.799158
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  H      -9.036810      4.478266      3.737243
  H      -8.363000      5.882284     -0.554072
  H      -6.382078      6.641060     -1.881829
  H      -4.143355      6.780569     -0.801412
  H      -3.843108      6.156984      1.564843
  H      -1.841607     -1.377118      4.629831
  H      -0.104954     -1.588420      4.357847
  H      -1.515838     -1.835758      2.291322
  H      -0.154770     -0.685479      2.166737
  H      -7.055559      2.533992      2.146409
  H      -5.748394      3.039510     -2.181769
  H      -3.704513      2.487007     -3.520102
  H      -1.791311      1.321775     -2.416543
  H      -1.890373      0.724798     -0.043420
  H      -4.715286     -0.191774      5.448307
  H      -4.110384     -1.515490      6.464753
  H      -6.230811     -0.851947      7.301770
  H      -5.026695     -0.307785      8.511165
  H      -6.481535      5.621348      8.188072
  H     -10.688206      6.052828      6.466629
  H     -12.264079      4.545321      5.238490
  H     -11.594689      2.202614      4.724166
  H      -9.381688      1.343554      5.409504
  N      -1.564822      2.881341      3.299351
  H      -2.337031      3.536346      3.127564
  H      -1.370686      2.354942      2.444527
  H      -0.742776      3.457035      3.489247
99
Coordinates from ORCA-job orca E -6652.837905200488
  N      -2.240850      3.281222      6.084877
  Mo     -2.230016      1.473473      5.305137
  N      -3.071789      0.313627      6.646359
  C      -2.293967     -0.153446      7.798940
  C      -1.399483      0.951428      8.329077
  N      -0.584604      1.545145      7.243311
  C      -0.249180      2.973264      7.473729
  C      -0.928289      3.837061      6.393858
  C       0.547741      0.697575      6.821036
  C       0.627495      0.708576      5.290517
  N      -0.697751      0.397972      4.777633
  H      -0.296027      3.845678      5.493006
  H      -1.008256      4.884304      6.729389
  H       0.840126      3.122420      7.455147
  H      -0.601234      3.261873      8.473472
  H       1.367847     -0.021585      4.927467
  H       0.950285      1.704162      4.939641
  H       0.356751     -0.330289      7.157022
  H       1.490107      1.039996      7.279020
  H      -2.958731     -0.476680      8.616087
  H      -1.700718     -1.042722      7.507037
  H      -2.034448      1.749860      8.734335
  H      -0.758658      0.575426      9.146174
  C      -3.363252      3.864349      6.814128
  C      -3.772861      5.250871      6.298907
  O      -4.873261      5.193994      5.359772
  C      -4.598158      5.173104      4.047460
  O      -3.467109      5.147181      3.579245
  C      -5.869357      5.203774      3.228216
  N      -6.968726      4.826125      3.867884
  C      -8.125319      4.820274      3.163755
  N      -8.287841      5.155222      1.896999
  C      -7.171613      5.545369      1.223110
  C      -7.301121      5.897508     -0.143488
  C      -6.196610      6.290599     -0.862171
  C      -4.926976      6.360879     -0.239378
  C      -4.764960      6.030031      1.089227
  C      -5.879551      5.598689      1.855939
  C      -0.961188     -0.891382      4.133533
  C      -1.126162     -0.798114      2.610224
  O      -1.949460      0.264175      2.050545
  C      -3.141523      0.663439      2.559197
  O      -3.348679      0.614522      3.846540
  C      -4.092313      1.303643      1.697460
  N      -5.222475      1.686036      2.343371
  C      -6.205350      2.216062      1.605989
  N      -6.201401      2.477640      0.303687
  C      -5.046170      2.180191     -0.362154
  C      -4.972140      2.510161     -1.737835
  C      -3.835389      2.233571     -2.468426
  C      -2.734498      1.612073     -1.844308
  C      -2.775554      1.277969     -0.500654
  C      -3.922946      1.554272      0.281835
  C      -4.319171     -0.426161      6.434769
  C      -5.398056     -0.170229      7.479571
  O      -5.880279      1.194526      7.472181
  C      -6.906402      1.443320      6.620485
  O      -7.334924      0.630525      5.822949
  C      -7.461133      2.835885      6.827946
  N      -6.684677      3.679637      7.492646
  C      -7.162239      4.931063      7.696643
  N      -8.334433      5.408229      7.332016
  C      -9.153116      4.552119      6.657675
  C     -10.426974      5.020134      6.250058
  C     -11.280322      4.186802      5.560685
  C     -10.891664      2.860725      5.253781
  C      -9.658513      2.373815      5.635634
  C      -8.755756      3.205030      6.349947
  H      -3.108484      3.961203      7.887227
  H      -4.239648      3.201474      6.768986
  H      -2.927075      5.776106      5.835017
  H      -4.168957      5.848100      7.129326
  H      -9.015051      4.497279      3.710098
  H      -8.293569      5.836762     -0.590494
  H      -6.294361      6.555241     -1.916056
  H      -4.063396      6.686374     -0.821231
  H      -3.785051      6.097288      1.553236
  H      -1.851858     -1.356611      4.578178
  H      -0.116492     -1.578684      4.310860
  H      -1.520890     -1.755347      2.231950
  H      -0.153004     -0.608120      2.140040
  H      -7.123191      2.464842      2.147012
  H      -5.843621      2.990559     -2.184173
  H      -3.787622      2.491225     -3.527550
  H      -1.838153      1.388001     -2.424738
  H      -1.913777      0.797456     -0.046999
  H      -4.714067     -0.182708      5.440913
  H      -4.113421     -1.514806      6.449387
  H      -6.238075     -0.853193      7.290628
  H      -5.031750     -0.321428      8.502782
  H      -6.495329      5.612170      8.234117
  H     -10.695645      6.047339      6.497925
  H     -12.259815      4.548088      5.244218
  H     -11.578001      2.215381      4.703954
  H      -9.363693      1.357150      5.389142
  N      -1.552761      2.909320      3.322781
  H      -2.320020      3.574376      3.169261
  H      -1.373965      2.396547      2.456480
  H      -0.724098      3.476504      3.509481
99
Coordinates from ORCA-job orca E -6652.838616759232
  N      -2.234671      3.292142      6.099733
  Mo     -2.219630      1.485084      5.315626
  N      -3.072764      0.320349      6.644798
  C      -2.296198     -0.155677      7.796461
  C      -1.401777      0.946061      8.334752
  N      -0.584757      1.546107      7.251636
  C      -0.250265      2.974303      7.496087
  C      -0.922647      3.845807      6.419901
  C       0.551396      0.698705      6.833024
  C       0.637571      0.703888      5.302011
  N      -0.687838      0.403600      4.784225
  H      -0.290063      3.860141      5.519334
  H      -1.003230      4.891577      6.760461
  H       0.839413      3.121401      7.488590
  H      -0.609929      3.252682      8.495883
  H       1.373950     -0.034017      4.946009
  H       0.971028      1.695398      4.947944
  H       0.358159     -0.328779      7.169045
  H       1.491076      1.041131      7.295945
  H      -2.960745     -0.484741      8.611540
  H      -1.702446     -1.042700      7.498515
  H      -2.036532      1.742739      8.743542
  H      -0.760864      0.564891      9.149270
  C      -3.358717      3.865460      6.838026
  C      -3.783106      5.248993      6.327402
  O      -4.877187      5.184008      5.380188
  C      -4.592344      5.184573      4.068830
  O      -3.456417      5.185295      3.611697
  C      -5.854622      5.202134      3.238463
  N      -6.961851      4.840251      3.874591
  C      -8.113630      4.834672      3.161490
  N      -8.264107      5.156247      1.890372
  C      -7.139882      5.526449      1.218500
  C      -7.256791      5.860869     -0.153590
  C      -6.142647      6.231656     -0.869998
  C      -4.877124      6.296170     -0.239700
  C      -4.727702      5.983032      1.095180
  C      -5.851868      5.575935      1.860136
  C      -0.960216     -0.865000      4.103172
  C      -1.122905     -0.736018      2.581451
  O      -1.941155      0.342544      2.049267
  C      -3.146544      0.706077      2.553449
  O      -3.347385      0.668598      3.846341
  C      -4.117767      1.313533      1.690837
  N      -5.253065      1.674627      2.338310
  C      -6.251203      2.179141      1.603755
  N      -6.259767      2.432395      0.300341
  C      -5.102818      2.152865     -0.371261
  C      -5.045791      2.474935     -1.749019
  C      -3.908186      2.216651     -2.485405
  C      -2.790743      1.622575     -1.864622
  C      -2.815465      1.297433     -0.518275
  C      -3.962805      1.555465      0.270331
  C      -4.318270     -0.421730      6.423756
  C      -5.398283     -0.177727      7.471153
  O      -5.882169      1.187141      7.475449
  C      -6.904128      1.443231      6.620755
  O      -7.321965      0.638226      5.809226
  C      -7.458711      2.833580      6.831594
  N      -6.688546      3.671567      7.511669
  C      -7.168958      4.921788      7.720930
  N      -8.336295      5.401987      7.346666
  C      -9.148399      4.552318      6.655989
  C     -10.416827      5.024909      6.238197
  C     -11.263450      4.197220      5.533575
  C     -10.872938      2.872976      5.222238
  C      -9.644649      2.381705      5.614345
  C      -8.748292      3.207007      6.343150
  H      -3.099108      3.965835      7.909583
  H      -4.231043      3.197226      6.799817
  H      -2.942928      5.790389      5.872075
  H      -4.194315      5.834503      7.158875
  H      -9.009604      4.526721      3.706788
  H      -8.247034      5.803581     -0.605799
  H      -6.229645      6.481598     -1.928456
  H      -4.005712      6.602851     -0.820172
  H      -3.749757      6.047091      1.564307
  H      -1.855884     -1.334297      4.533631
  H      -0.123318     -1.566167      4.263901
  H      -1.519857     -1.684098      2.183026
  H      -0.148980     -0.538191      2.115866
  H      -7.170497      2.414032      2.149076
  H      -5.929712      2.935481     -2.191658
  H      -3.872050      2.467778     -3.546573
  H      -1.893929      1.414089     -2.450168
  H      -1.941614      0.839098     -0.065145
  H      -4.712199     -0.169688      5.431918
  H      -4.111451     -1.510326      6.428668
  H      -6.238440     -0.859304      7.278277
  H      -5.031097     -0.336237      8.492808
  H      -6.508180      5.597677      8.272478
  H     -10.687064      6.050568      6.490757
  H     -12.239235      4.561501      5.209076
  H     -11.554094      2.232283      4.660571
  H      -9.348186      1.366528      5.363979
  N      -1.526888      2.934127      3.345126
  H      -2.287181      3.610757      3.203306
  H      -1.360881      2.430863      2.471020
  H      -0.690776      3.491745      3.529379
99
Coordinates from ORCA-job orca E -6652.839269238433
  N      -2.226357      3.304911      6.127749
  Mo     -2.211105      1.503459      5.329151
  N      -3.070581      0.328636      6.644933
  C      -2.292876     -0.161794      7.791593
  C      -1.395220      0.933834      8.338689
  N      -0.579120      1.543455      7.257619
  C      -0.242113      2.969815      7.520718
  C      -0.913052      3.855666      6.456528
  C       0.557940      0.696365      6.835527
  C       0.644203      0.700405      5.303364
  N      -0.684672      0.415468      4.785518
  H      -0.282070      3.879654      5.555066
  H      -0.993804      4.897793      6.807425
  H       0.848041      3.112834      7.517788
  H      -0.603506      3.234924      8.523429
  H       1.373008     -0.045768      4.949302
  H       0.990155      1.688291      4.949854
  H       0.363338     -0.331439      7.169731
  H       1.497202      1.036977      7.299873
  H      -2.955186     -0.498503      8.605289
  H      -1.701315     -1.046301      7.482266
  H      -2.028239      1.727255      8.756170
  H      -0.751329      0.544915      9.146944
  C      -3.350686      3.874316      6.870320
  C      -3.785241      5.252482      6.357063
  O      -4.868542      5.172600      5.398960
  C      -4.573207      5.179476      4.089224
  O      -3.432940      5.196988      3.643050
  C      -5.828595      5.192468      3.249931
  N      -6.945295      4.859045      3.885510
  C      -8.093596      4.862205      3.166637
  N      -8.232643      5.167497      1.890408
  C      -7.098775      5.505693      1.217614
  C      -7.203687      5.820546     -0.159939
  C      -6.079059      6.158739     -0.876873
  C      -4.815654      6.208434     -0.241659
  C      -4.678252      5.913499      1.098965
  C      -5.813275      5.541527      1.865153
  C      -0.965849     -0.830685      4.068495
  C      -1.132331     -0.666095      2.549973
  O      -1.946228      0.429592      2.048963
  C      -3.159644      0.761493      2.555206
  O      -3.352903      0.729136      3.851728
  C      -4.149562      1.341028      1.695768
  N      -5.288165      1.683106      2.347801
  C      -6.303038      2.159006      1.616963
  N      -6.327244      2.400002      0.311693
  C      -5.169856      2.136686     -0.367039
  C      -5.132110      2.444350     -1.748418
  C      -3.995830      2.199880     -2.492064
  C      -2.861677      1.634785     -1.875218
  C      -2.867663      1.324971     -0.525003
  C      -4.012524      1.569946      0.270717
  C      -4.315467     -0.414661      6.416333
  C      -5.398555     -0.180229      7.462914
  O      -5.884739      1.183701      7.476171
  C      -6.897094      1.445599      6.611551
  O      -7.306508      0.643079      5.792856
  C      -7.458374      2.830962      6.825767
  N      -6.698156      3.668122      7.518643
  C      -7.184892      4.916240      7.727359
  N      -8.348883      5.394770      7.341299
  C      -9.151010      4.546355      6.637442
  C     -10.415017      5.017771      6.205958
  C     -11.250939      4.190514      5.488016
  C     -10.853528      2.868484      5.176836
  C      -9.628912      2.378456      5.582013
  C      -8.743516      3.203211      6.324583
  H      -3.084703      3.980586      7.939764
  H      -4.221233      3.203635      6.840244
  H      -2.946913      5.805013      5.911543
  H      -4.213188      5.831972      7.184287
  H      -8.996832      4.579069      3.713639
  H      -8.192993      5.774399     -0.615371
  H      -6.156307      6.393140     -1.939635
  H      -3.935514      6.488336     -0.822534
  H      -3.701743      5.967143      1.572248
  H      -1.862834     -1.305572      4.490241
  H      -0.133432     -1.542050      4.208276
  H      -1.534568     -1.605082      2.135475
  H      -0.158870     -0.464108      2.084975
  H      -7.222847      2.377878      2.168949
  H      -6.028754      2.882333     -2.187910
  H      -3.973410      2.439170     -3.556377
  H      -1.966634      1.437413     -2.467333
  H      -1.981462      0.889550     -0.072800
  H      -4.708557     -0.155533      5.425853
  H      -4.106732     -1.502604      6.413205
  H      -6.237313     -0.861490      7.263156
  H      -5.033561     -0.344776      8.484415
  H      -6.532326      5.591304      8.289643
  H     -10.690681      6.041842      6.459116
  H     -12.223659      4.553481      5.152926
  H     -11.526116      2.228191      4.604430
  H      -9.326991      1.365034      5.331118
  N      -1.504697      2.972024      3.377988
  H      -2.256273      3.661723      3.248779
  H      -1.353035      2.478689      2.495462
  H      -0.659618      3.517223      3.559652
99
Coordinates from ORCA-job orca E -6652.839978587097
  N      -2.211574      3.315864      6.164061
  Mo     -2.197475      1.523883      5.346203
  N      -3.065645      0.338416      6.646258
  C      -2.289184     -0.169969      7.787853
  C      -1.385696      0.916676      8.343934
  N      -0.569556      1.535540      7.266075
  C      -0.226928      2.958274      7.551097
  C      -0.897421      3.864403      6.503240
  C       0.565647      0.686541      6.838176
  C       0.652241      0.692435      5.304911
  N      -0.680929      0.428676      4.785453
  H      -0.267321      3.902118      5.601578
  H      -0.979945      4.900664      6.869311
  H       0.863874      3.095089      7.550946
  H      -0.588588      3.208086      8.557611
  H       1.370797     -0.063817      4.952085
  H       1.015050      1.676223      4.955656
  H       0.367176     -0.341460      7.169632
  H       1.505833      1.022134      7.303575
  H      -2.950595     -0.512162      8.599891
  H      -1.703256     -1.053778      7.466550
  H      -2.015980      1.707102      8.771018
  H      -0.739205      0.518976      9.145529
  C      -3.338375      3.879826      6.907839
  C      -3.780434      5.255404      6.395254
  O      -4.847474      5.163987      5.420482
  C      -4.537547      5.196010      4.112939
  O      -3.391699      5.241626      3.683182
  C      -5.784116      5.195609      3.259915
  N      -6.908520      4.884728      3.893377
  C      -8.052354      4.886768      3.168039
  N      -8.182361      5.171623      1.886503
  C      -7.041543      5.482922      1.212917
  C      -7.137976      5.770295     -0.171010
  C      -6.006442      6.077019     -0.891170
  C      -4.744588      6.120155     -0.253192
  C      -4.615343      5.851559      1.094053
  C      -5.758298      5.514708      1.866196
  C      -0.969930     -0.792653      4.029914
  C      -1.141745     -0.590094      2.515600
  O      -1.955455      0.520960      2.047994
  C      -3.173921      0.820686      2.561344
  O      -3.354095      0.793625      3.861494
  C      -4.188445      1.372247      1.713457
  N      -5.326617      1.686371      2.381775
  C      -6.368542      2.124275      1.664886
  N      -6.421638      2.354628      0.358749
  C      -5.267374      2.120053     -0.337177
  C      -5.263025      2.417192     -1.721027
  C      -4.132964      2.198316     -2.482561
  C      -2.972698      1.670619     -1.881819
  C      -2.945839      1.372719     -0.529032
  C      -4.083029      1.592668      0.284348
  C      -4.311394     -0.405706      6.414775
  C      -5.395572     -0.174248      7.460222
  O      -5.888449      1.186562      7.475916
  C      -6.893520      1.444190      6.600730
  O      -7.286980      0.639611      5.775781
  C      -7.461315      2.826356      6.804124
  N      -6.713273      3.667269      7.506077
  C      -7.206533      4.914384      7.704523
  N      -8.366372      5.388938      7.300623
  C      -9.156713      4.536773      6.588044
  C     -10.416238      5.003203      6.138514
  C     -11.239784      4.171283      5.411473
  C     -10.833938      2.849913      5.108842
  C      -9.613253      2.364454      5.531619
  C      -8.740651      3.194088      6.284308
  H      -3.067753      3.986771      7.976108
  H      -4.207916      3.207259      6.881054
  H      -2.941286      5.821069      5.967537
  H      -4.228123      5.825116      7.218971
  H      -8.960638      4.623523      3.716013
  H      -8.126307      5.727624     -0.628923
  H      -6.077250      6.289433     -1.959026
  H      -3.858176      6.372839     -0.837129
  H      -3.640677      5.900001      1.569778
  H      -1.865591     -1.276953      4.444264
  H      -0.139623     -1.511454      4.144905
  H      -1.546645     -1.520732      2.084891
  H      -0.169568     -0.381883      2.050533
  H      -7.284335      2.318875      2.233681
  H      -6.179187      2.825286     -2.148639
  H      -4.135257      2.428652     -3.549172
  H      -2.083508      1.493460     -2.489081
  H      -2.039952      0.967633     -0.087641
  H      -4.704989     -0.145513      5.424589
  H      -4.100144     -1.492803      6.409670
  H      -6.231362     -0.858496      7.258415
  H      -5.030268     -0.338323      8.481870
  H      -6.563903      5.592446      8.274694
  H     -10.698468      6.027029      6.385581
  H     -12.209117      4.530194      5.062268
  H     -11.496380      2.205777      4.528846
  H      -9.305413      1.351389      5.286986
  N      -1.461980      3.014409      3.421427
  H      -2.200085      3.719919      3.301973
  H      -1.323655      2.528759      2.532034
  H      -0.605504      3.541732      3.603664
99
Coordinates from ORCA-job orca E -6652.840736532426
  N      -2.200409      3.326806      6.209914
  Mo     -2.187055      1.548241      5.363269
  N      -3.059883      0.346599      6.643608
  C      -2.284720     -0.182741      7.778115
  C      -1.375777      0.893567      8.346498
  N      -0.560399      1.526495      7.274335
  C      -0.212520      2.943026      7.585194
  C      -0.886054      3.872747      6.559466
  C       0.572159      0.679119      6.833777
  C       0.656199      0.696604      5.299651
  N      -0.681158      0.451884      4.779120
  H      -0.256260      3.929381      5.658781
  H      -0.971920      4.900214      6.947137
  H       0.878602      3.075508      7.583142
  H      -0.570868      3.174438      8.597254
  H       1.366065     -0.065329      4.942443
  H       1.032048      1.679263      4.960481
  H       0.372715     -0.350885      7.158307
  H       1.514261      1.009246      7.298840
  H      -2.946051     -0.533092      8.586572
  H      -1.704257     -1.064465      7.442009
  H      -2.004238      1.678621      8.785978
  H      -0.726586      0.485351      9.140355
  C      -3.328584      3.892337      6.949442
  C      -3.777344      5.259375      6.423188
  O      -4.833503      5.151052      5.441770
  C      -4.516529      5.193773      4.136685
  O      -3.368357      5.256158      3.715114
  C      -5.758963      5.184456      3.277613
  N      -6.891822      4.906169      3.910748
  C      -8.031367      4.911973      3.179951
  N      -8.151172      5.174062      1.891928
  C      -7.000770      5.447602      1.217560
  C      -7.084326      5.704513     -0.173049
  C      -5.942863      5.969638     -0.894482
  C      -4.682941      5.999857     -0.251063
  C      -4.566590      5.761131      1.102550
  C      -5.720785      5.468730      1.876971
  C      -0.970425     -0.746112      3.989109
  C      -1.149952     -0.508016      2.480841
  O      -1.970541      0.611540      2.043535
  C      -3.190966      0.884128      2.568533
  O      -3.355994      0.857564      3.870966
  C      -4.227927      1.405932      1.729078
  N      -5.365572      1.698312      2.409895
  C      -6.428364      2.099263      1.701555
  N      -6.504932      2.313407      0.393643
  C      -5.353091      2.102370     -0.314094
  C      -5.373341      2.383823     -1.701255
  C      -4.246589      2.187270     -2.473773
  C      -3.064706      1.699227     -1.881778
  C      -3.013557      1.417517     -0.526306
  C      -4.147155      1.614811      0.297588
  C      -4.305020     -0.396454      6.401262
  C      -5.395311     -0.172721      7.440683
  O      -5.893594      1.185264      7.457935
  C      -6.887668      1.446223      6.569955
  O      -7.270511      0.643967      5.737597
  C      -7.459568      2.825789      6.773178
  N      -6.720409      3.663940      7.488001
  C      -7.216197      4.909263      7.686741
  N      -8.372065      5.385662      7.272470
  C      -9.154129      4.536537      6.547888
  C     -10.409719      5.003938      6.087765
  C     -11.224676      4.175068      5.347841
  C     -10.814242      2.855869      5.042281
  C      -9.597533      2.369193      5.475263
  C      -8.733680      3.195913      6.241428
  H      -3.052325      4.009893      8.015170
  H      -4.196533      3.216741      6.930961
  H      -2.937208      5.828197      6.001209
  H      -4.236252      5.831268      7.239133
  H      -8.946864      4.678768      3.729562
  H      -8.070664      5.671086     -0.635834
  H      -6.004534      6.157685     -1.967379
  H      -3.788081      6.217899     -0.836033
  H      -3.595359      5.800103      1.586099
  H      -1.861436     -1.245008      4.396700
  H      -0.136928     -1.464917      4.080107
  H      -1.553933     -1.431883      2.034745
  H      -0.180823     -0.289049      2.014692
  H      -7.339069      2.277832      2.283489
  H      -6.304916      2.760620     -2.123856
  H      -4.267628      2.405113     -3.542791
  H      -2.178569      1.539975     -2.498322
  H      -2.091158      1.044216     -0.091012
  H      -4.694962     -0.129764      5.411062
  H      -4.089937     -1.482342      6.389590
  H      -6.225236     -0.861113      7.228726
  H      -5.036418     -0.339251      8.464405
  H      -6.580440      5.585271      8.266719
  H     -10.695564      6.026135      6.337288
  H     -12.190644      4.534829      4.990403
  H     -11.469410      2.213746      4.451963
  H      -9.286796      1.357742      5.228013
  N      -1.419498      3.067421      3.473917
  H      -2.141179      3.792259      3.366809
  H      -1.296689      2.589201      2.578154
  H      -0.549604      3.571291      3.658937
99
Coordinates from ORCA-job orca E -6652.841533208638
  N      -2.186701      3.335302      6.256172
  Mo     -2.174629      1.571629      5.377274
  N      -3.058276      0.354426      6.636496
  C      -2.289347     -0.196447      7.765943
  C      -1.372641      0.865139      8.347396
  N      -0.554166      1.509303      7.283674
  C      -0.197347      2.917859      7.621895
  C      -0.871010      3.873587      6.617503
  C       0.573836      0.661263      6.831017
  C       0.658587      0.697306      5.297183
  N      -0.682053      0.473046      4.772325
  H      -0.238554      3.948664      5.720422
  H      -0.957902      4.890863      7.029717
  H       0.894153      3.045616      7.617368
  H      -0.551962      3.130641      8.639285
  H       1.359333     -0.069314      4.932827
  H       1.047592      1.679750      4.972848
  H       0.370954     -0.371093      7.145558
  H       1.518075      0.983160      7.297437
  H      -2.955880     -0.549866      8.568665
  H      -1.717496     -1.079218      7.418317
  H      -1.997695      1.647019      8.797388
  H      -0.724341      0.444596      9.135261
  C      -3.317717      3.904162      6.986605
  C      -3.767064      5.266742      6.447859
  O      -4.805533      5.143865      5.451699
  C      -4.476963      5.209775      4.150692
  O      -3.326660      5.305100      3.740865
  C      -5.712602      5.182765      3.279431
  N      -6.852113      4.933030      3.911395
  C      -7.987258      4.933433      3.176003
  N      -8.099197      5.167440      1.881551
  C      -6.941628      5.406213      1.206649
  C      -7.017091      5.625524     -0.190852
  C      -5.870447      5.849152     -0.916915
  C      -4.611354      5.875595     -0.270938
  C      -4.502530      5.676516      1.089105
  C      -5.663631      5.426880      1.870548
  C      -0.968155     -0.697425      3.942348
  C      -1.147552     -0.410840      2.442149
  O      -1.979957      0.714413      2.038549
  C      -3.203199      0.956482      2.576264
  O      -3.352074      0.924122      3.877922
  C      -4.266204      1.444293      1.748771
  N      -5.402262      1.709632      2.445446
  C      -6.487734      2.069114      1.748746
  N      -6.591355      2.262872      0.438947
  C      -5.443498      2.082258     -0.282652
  C      -5.490899      2.346909     -1.672949
  C      -4.368246      2.182084     -2.458093
  C      -3.161231      1.744053     -1.876862
  C      -3.083100      1.478427     -0.519706
  C      -4.213169      1.643111      0.316378
  C      -4.304136     -0.384303      6.384546
  C      -5.399035     -0.160570      7.418210
  O      -5.899870      1.195063      7.433057
  C      -6.888328      1.454096      6.537800
  O      -7.266781      0.650649      5.705023
  C      -7.467191      2.831208      6.742999
  N      -6.734497      3.670616      7.462585
  C      -7.236186      4.911791      7.665352
  N      -8.395870      5.383407      7.253869
  C      -9.171443      4.532560      6.524942
  C     -10.431255      4.992771      6.067421
  C     -11.238941      4.163096      5.320610
  C     -10.816938      2.850069      5.003623
  C      -9.596554      2.370189      5.433748
  C      -8.741286      3.197488      6.209122
  H      -3.043364      4.027079      8.052002
  H      -4.184693      3.226440      6.966211
  H      -2.922803      5.838766      6.038580
  H      -4.240890      5.838595      7.255772
  H      -8.908200      4.723732      3.725401
  H      -8.002163      5.593958     -0.656386
  H      -5.927131      6.005923     -1.994999
  H      -3.711299      6.059110     -0.859747
  H      -3.533770      5.714104      1.576588
  H      -1.857938     -1.212172      4.333419
  H      -0.132296     -1.415778      4.010283
  H      -1.544213     -1.323525      1.967307
  H      -0.180264     -0.170259      1.983309
  H      -7.393418      2.226808      2.344573
  H      -6.439810      2.685488     -2.088849
  H      -4.411251      2.387533     -3.528899
  H      -2.277768      1.610474     -2.503190
  H      -2.141395      1.145226     -0.093374
  H      -4.688978     -0.114299      5.393150
  H      -4.087756     -1.469751      6.371456
  H      -6.225523     -0.851487      7.199957
  H      -5.045124     -0.327858      8.443713
  H      -6.604274      5.589915      8.247078
  H     -10.725625      6.010719      6.324240
  H     -12.207551      4.517839      4.965437
  H     -11.465561      2.207145      4.407071
  H      -9.277538      1.363273      5.178381
  N      -1.357831      3.119355      3.530871
  H      -2.062460      3.861344      3.430508
  H      -1.246340      2.642766      2.632548
  H      -0.474679      3.596355      3.723380
99
Coordinates from ORCA-job orca E -6652.842311436846
  N      -2.188816      3.342620      6.299739
  Mo     -2.169147      1.593488      5.386935
  N      -3.057405      0.354812      6.623614
  C      -2.291857     -0.211971      7.747401
  C      -1.375466      0.839945      8.344814
  N      -0.555480      1.500060      7.291946
  C      -0.197761      2.902214      7.656173
  C      -0.875354      3.877272      6.671674
  C       0.573843      0.659531      6.827588
  C       0.660069      0.718583      5.295406
  N      -0.680327      0.501346      4.764062
  H      -0.240896      3.974459      5.778594
  H      -0.966732      4.883684      7.109132
  H       0.893396      3.032856      7.648801
  H      -0.548481      3.094539      8.678895
  H       1.359312     -0.044997      4.921443
  H       1.051037      1.704782      4.985522
  H       0.374168     -0.377286      7.129181
  H       1.517581      0.978621      7.297466
  H      -2.963342     -0.573421      8.542502
  H      -1.721379     -1.091672      7.389368
  H      -2.001669      1.615785      8.803821
  H      -0.728444      0.409142      9.128177
  C      -3.323765      3.909003      7.024837
  C      -3.779209      5.264511      6.472849
  O      -4.804119      5.124346      5.466144
  C      -4.466108      5.209116      4.170056
  O      -3.314458      5.326267      3.769095
  C      -5.694835      5.172034      3.286948
  N      -6.842975      4.959368      3.916323
  C      -7.973755      4.964788      3.175211
  N      -8.073868      5.174632      1.875254
  C      -6.906712      5.369878      1.202774
  C      -6.970055      5.556725     -0.200354
  C      -5.815580      5.729426     -0.926998
  C      -4.558367      5.736121     -0.276037
  C      -4.460570      5.572251      1.089116
  C      -5.631231      5.376125      1.872481
  C      -0.957324     -0.646367      3.899461
  C      -1.134423     -0.315615      2.408457
  O      -1.982990      0.808431      2.033287
  C      -3.210071      1.020779      2.578955
  O      -3.346515      0.982355      3.879579
  C      -4.294788      1.471233      1.757866
  N      -5.428251      1.717219      2.465144
  C      -6.529800      2.041130      1.776246
  N      -6.653958      2.208425      0.464104
  C      -5.511129      2.048028     -0.268077
  C      -5.580516      2.288495     -1.662334
  C      -4.461583      2.149365     -2.456610
  C      -3.233966      1.761505     -1.881239
  C      -3.134245      1.517294     -0.521780
  C      -4.261595      1.655595      0.323661
  C      -4.300113     -0.381164      6.353753
  C      -5.401190     -0.169812      7.383768
  O      -5.903217      1.185053      7.407114
  C      -6.886520      1.454424      6.509592
  O      -7.260387      0.663256      5.663827
  C      -7.462911      2.832822      6.729098
  N      -6.735116      3.658258      7.469133
  C      -7.235154      4.896697      7.689506
  N      -8.391363      5.377803      7.277903
  C      -9.161063      4.541403      6.526628
  C     -10.416286      5.012158      6.065779
  C     -11.217862      4.198895      5.294917
  C     -10.794624      2.891458      4.956085
  C      -9.579412      2.401409      5.389136
  C      -8.730566      3.211760      6.189151
  H      -3.053396      4.041264      8.089844
  H      -4.185476      3.224010      7.003800
  H      -2.935309      5.841039      6.069544
  H      -4.266033      5.836499      7.273258
  H      -8.902731      4.785362      3.722270
  H      -7.953552      5.538569     -0.670113
  H      -5.863866      5.858509     -2.009157
  H      -3.651158      5.876996     -0.865747
  H      -3.493402      5.597043      1.581201
  H      -1.846613     -1.177346      4.270339
  H      -0.117822     -1.361449      3.949375
  H      -1.518745     -1.216682      1.902105
  H      -0.169432     -0.046566      1.960774
  H      -7.430852      2.193205      2.380192
  H      -6.543515      2.591175     -2.073875
  H      -4.522802      2.337976     -3.529683
  H      -2.352021      1.649432     -2.513976
  H      -2.177020      1.223153     -0.101599
  H      -4.678076     -0.099057      5.363283
  H      -4.081871     -1.466350      6.329767
  H      -6.224696     -0.861022      7.154294
  H      -5.053003     -0.346828      8.409609
  H      -6.607043      5.563874      8.287955
  H     -10.711707      6.025570      6.339181
  H     -12.182434      4.562421      4.937460
  H     -11.438103      2.261465      4.340376
  H      -9.259338      1.398969      5.117624
  N      -1.315626      3.176448      3.582843
  H      -2.007871      3.931768      3.494070
  H      -1.217451      2.704166      2.680874
  H      -0.421455      3.628981      3.781677
99
Coordinates from ORCA-job orca E -6652.843044065770
  N      -2.185233      3.350871      6.336108
  Mo     -2.163513      1.613561      5.395809
  N      -3.057839      0.359516      6.615163
  C      -2.293141     -0.221480      7.731174
  C      -1.374931      0.820497      8.340778
  N      -0.553806      1.491097      7.296377
  C      -0.191615      2.887314      7.680448
  C      -0.873409      3.879036      6.715276
  C       0.574697      0.654567      6.821008
  C       0.660150      0.732384      5.290824
  N      -0.680102      0.521762      4.756084
  H      -0.240271      3.996426      5.824122
  H      -0.965092      4.875334      7.176202
  H       0.899488      3.018377      7.666439
  H      -0.533456      3.062789      8.709091
  H       1.357603     -0.028345      4.906910
  H       1.051332      1.721454      4.990323
  H       0.376316     -0.385602      7.111692
  H       1.519046      0.969266      7.292878
  H      -2.967115     -0.589450      8.521282
  H      -1.724927     -1.098879      7.363427
  H      -1.999230      1.593212      8.807735
  H      -0.729663      0.378874      9.119648
  C      -3.324566      3.913728      7.056821
  C      -3.788211      5.261257      6.491388
  O      -4.798102      5.099791      5.471549
  C      -4.450032      5.209551      4.180466
  O      -3.298415      5.363403      3.791202
  C      -5.668622      5.158406      3.282637
  N      -6.825503      4.974212      3.905450
  C      -7.950478      4.983661      3.155530
  N      -8.036670      5.178381      1.852382
  C      -6.860887      5.340446      1.186559
  C      -6.910975      5.507418     -0.219981
  C      -5.748699      5.638525     -0.942324
  C      -4.495727      5.619844     -0.284025
  C      -4.409977      5.479110      1.084577
  C      -5.589361      5.330315      1.864781
  C      -0.956497     -0.602927      3.860461
  C      -1.129586     -0.230835      2.378745
  O      -1.990413      0.892703      2.030005
  C      -3.219679      1.077288      2.583068
  O      -3.343863      1.035370      3.883272
  C      -4.324860      1.490322      1.769742
  N      -5.457530      1.708959      2.485272
  C      -6.572915      2.000646      1.804749
  N      -6.713118      2.148924      0.491739
  C      -5.574116      2.013540     -0.250021
  C      -5.662394      2.238456     -1.645854
  C      -4.546052      2.132185     -2.448171
  C      -3.300485      1.794198     -1.878981
  C      -3.182176      1.563838     -0.518839
  C      -4.307554      1.667361      0.334505
  C      -4.298837     -0.372830      6.332125
  C      -5.403290     -0.171024      7.362118
  O      -5.905506      1.183953      7.393064
  C      -6.888650      1.457759      6.497756
  O      -7.262436      0.672058      5.647233
  C      -7.466634      2.835621      6.726870
  N      -6.745579      3.652831      7.482183
  C      -7.248694      4.888067      7.714127
  N      -8.402626      5.372430      7.299941
  C      -9.164560      4.544452      6.531475
  C     -10.416816      5.019205      6.066452
  C     -11.210672      4.215323      5.278001
  C     -10.782240      2.913287      4.924657
  C      -9.570047      2.419592      5.361591
  C      -8.729565      3.219699      6.180363
  H      -3.060536      4.057966      8.121498
  H      -4.180071      3.221128      7.036575
  H      -2.947484      5.845559      6.093273
  H      -4.291857      5.831418      7.283045
  H      -8.887183      4.825786      3.696427
  H      -7.891971      5.505043     -0.695414
  H      -5.786859      5.749866     -2.026843
  H      -3.581660      5.722947     -0.871030
  H      -3.444489      5.485972      1.581045
  H      -1.849041     -1.142652      4.211115
  H      -0.118582     -1.320441      3.893701
  H      -1.503974     -1.118085      1.841590
  H      -0.165986      0.063267      1.943542
  H      -7.472197      2.142603      2.413891
  H      -6.637781      2.507834     -2.051249
  H      -4.622800      2.310669     -3.521992
  H      -2.419105      1.710431     -2.516925
  H      -2.211296      1.308767     -0.104139
  H      -4.672637     -0.079621      5.343530
  H      -4.082400     -1.458459      6.297912
  H      -6.227038     -0.860419      7.127838
  H      -5.056649     -0.355773      8.386896
  H      -6.625746      5.549424      8.324573
  H     -10.716269      6.028475      6.350807
  H     -12.172854      4.582352      4.917534
  H     -11.419542      2.291103      4.294677
  H      -9.245743      1.421122      5.080313
  N      -1.278422      3.222441      3.626102
  H      -1.958546      3.990030      3.550918
  H      -1.198299      2.754068      2.720563
  H      -0.372772      3.649971      3.826394
99
Coordinates from ORCA-job orca E -6652.843713346685
  N      -2.182178      3.357938      6.369911
  Mo     -2.157616      1.633726      5.402931
  N      -3.055423      0.364335      6.606265
  C      -2.290395     -0.230158      7.714211
  C      -1.370708      0.803259      8.335430
  N      -0.549739      1.484367      7.297906
  C      -0.183796      2.875346      7.700666
  C      -0.872191      3.882275      6.756478
  C       0.578638      0.652002      6.812294
  C       0.663384      0.747295      5.283788
  N      -0.676987      0.543766      4.747277
  H      -0.242515      4.021278      5.866100
  H      -0.965084      4.868407      7.239269
  H       0.907279      3.006257      7.679625
  H      -0.515657      3.033865      8.735333
  H       1.359581     -0.009736      4.889700
  H       1.054379      1.739274      4.992139
  H       0.380444     -0.391485      7.091064
  H       1.523136      0.961037      7.287535
  H      -2.964668     -0.606515      8.500385
  H      -1.722910     -1.104098      7.336702
  H      -1.993070      1.572221      8.811098
  H      -0.725913      0.351206      9.108792
  C      -3.326998      3.911888      7.089278
  C      -3.802043      5.252080      6.517596
  O      -4.798243      5.070465      5.485951
  C      -4.443472      5.207554      4.199379
  O      -3.292915      5.392302      3.819799
  C      -5.653756      5.149598      3.291129
  N      -6.818835      4.998358      3.908074
  C      -7.938265      5.016247      3.149160
  N      -8.010407      5.196997      1.843323
  C      -6.826801      5.322988      1.183811
  C      -6.863076      5.474248     -0.225099
  C      -5.692567      5.561974     -0.941153
  C      -4.445350      5.511412     -0.274522
  C      -4.372490      5.388279      1.096915
  C      -5.560162      5.290406      1.871104
  C      -0.956695     -0.558966      3.824888
  C      -1.125752     -0.151447      2.352410
  O      -1.997655      0.970928      2.027224
  C      -3.227241      1.130718      2.587108
  O      -3.340469      1.086014      3.888113
  C      -4.350172      1.510502      1.782867
  N      -5.479841      1.710618      2.506916
  C      -6.607403      1.975254      1.835961
  N      -6.763960      2.101828      0.522500
  C      -5.630781      1.979712     -0.230309
  C      -5.739707      2.181653     -1.627902
  C      -4.629320      2.093914     -2.440809
  C      -3.369015      1.799743     -1.879649
  C      -3.230604      1.591620     -0.517766
  C      -4.349830      1.673905      0.345482
  C      -4.294900     -0.364985      6.310882
  C      -5.402122     -0.174195      7.340881
  O      -5.904691      1.181198      7.380985
  C      -6.886165      1.459912      6.486148
  O      -7.258122      0.678647      5.630612
  C      -7.465569      2.836704      6.720771
  N      -6.754961      3.645017      7.495317
  C      -7.261777      4.877960      7.734640
  N      -8.409802      5.366614      7.309932
  C      -9.160546      4.548004      6.520365
  C     -10.405705      5.028671      6.043131
  C     -11.188209      4.234546      5.233611
  C     -10.754610      2.936871      4.870634
  C      -9.549033      2.437692      5.319332
  C      -8.720400      3.227090      6.160228
  H      -3.067764      4.064326      8.153837
  H      -4.175874      3.211325      7.069910
  H      -2.966875      5.847748      6.125187
  H      -4.323297      5.816265      7.302245
  H      -8.881948      4.883113      3.684803
  H      -7.841059      5.493031     -0.706512
  H      -5.719653      5.659937     -2.027313
  H      -3.524785      5.575271     -0.856986
  H      -3.409196      5.372465      1.597998
  H      -1.852468     -1.103318      4.160021
  H      -0.121842     -1.280664      3.842315
  H      -1.488982     -1.027347      1.789668
  H      -0.163002      0.164155      1.929947
  H      -7.503630      2.111576      2.451016
  H      -6.726004      2.422702     -2.024943
  H      -4.722102      2.255460     -3.516078
  H      -2.491562      1.733157     -2.525107
  H      -2.248733      1.370326     -0.108982
  H      -4.666032     -0.060214      5.324882
  H      -4.080818     -1.450814      6.265260
  H      -6.226417     -0.861032      7.101668
  H      -5.056423     -0.366773      8.364493
  H      -6.647892      5.531902      8.362238
  H     -10.709211      6.034563      6.335301
  H     -12.145139      4.606173      4.863775
  H     -11.382900      2.323030      4.223538
  H      -9.220365      1.442499      5.031496
  N      -1.252093      3.268754      3.660963
  H      -1.920438      4.048296      3.603927
  H      -1.193982      2.808773      2.749443
  H      -0.335186      3.672790      3.857464
99
Coordinates from ORCA-job orca E -6652.844382282212
  N      -2.176756      3.365979      6.400775
  Mo     -2.153430      1.655761      5.408795
  N      -3.054343      0.373672      6.597414
  C      -2.288187     -0.235410      7.695478
  C      -1.365124      0.789025      8.326697
  N      -0.544548      1.478824      7.295377
  C      -0.172156      2.863734      7.713547
  C      -0.868881      3.886803      6.793055
  C       0.581166      0.648662      6.798432
  C       0.663416      0.759439      5.271310
  N      -0.678228      0.565500      4.736549
  H      -0.244790      4.047966      5.902384
  H      -0.962250      4.862095      7.297563
  H       0.918906      2.992175      7.681118
  H      -0.489576      3.007352      8.754949
  H       1.357244      0.005354      4.867210
  H       1.055893      1.753372      4.987581
  H       0.380964     -0.397291      7.066280
  H       1.527155      0.949691      7.275636
  H      -2.960393     -0.620409      8.479443
  H      -1.722432     -1.105856      7.307261
  H      -1.983995      1.554611      8.812180
  H      -0.720723      0.325652      9.093747
  C      -3.326935      3.909436      7.119417
  C      -3.816598      5.240957      6.541910
  O      -4.798330      5.038803      5.498748
  C      -4.438513      5.206717      4.217064
  O      -3.290324      5.424457      3.847450
  C      -5.640084      5.140168      3.299814
  N      -6.813036      5.020588      3.909081
  C      -7.925275      5.044275      3.138992
  N      -7.982043      5.210351      1.830624
  C      -6.790885      5.303114      1.179396
  C      -6.810797      5.438896     -0.231302
  C      -5.631322      5.486037     -0.937311
  C      -4.392482      5.405978     -0.259151
  C      -4.335421      5.299894      1.114836
  C      -5.531558      5.250238      1.878637
  C      -0.963634     -0.514987      3.790742
  C      -1.125928     -0.076605      2.327175
  O      -2.005443      1.046704      2.023270
  C      -3.234239      1.183090      2.588745
  O      -3.342609      1.134856      3.890140
  C      -4.371354      1.531636      1.790071
  N      -5.500650      1.711525      2.518722
  C      -6.637391      1.949961      1.853922
  N      -6.804744      2.058920      0.540345
  C      -5.674618      1.949435     -0.219552
  C      -5.798940      2.129365     -1.618403
  C      -4.692317      2.057554     -2.438474
  C      -3.421376      1.803907     -1.882439
  C      -3.268038      1.617813     -0.518814
  C      -4.382792      1.681694      0.350850
  C      -4.292895     -0.352820      6.292636
  C      -5.400399     -0.172827      7.324806
  O      -5.905838      1.181961      7.374039
  C      -6.890799      1.462463      6.483946
  O      -7.262365      0.683469      5.625579
  C      -7.471811      2.837032      6.722838
  N      -6.770371      3.637283      7.514246
  C      -7.280477      4.867986      7.760058
  N      -8.422486      5.361104      7.325569
  C      -9.163872      4.551365      6.518101
  C     -10.402640      5.037846      6.031246
  C     -11.175805      4.252570      5.204264
  C     -10.738168      2.958901      4.832766
  C      -9.538319      2.454341      5.290631
  C      -8.719526      3.233695      6.150285
  H      -3.070346      4.070541      8.183220
  H      -4.168507      3.200244      7.103117
  H      -2.988008      5.848998      6.154911
  H      -4.356625      5.798226      7.318745
  H      -8.875496      4.933594      3.668079
  H      -7.783902      5.476934     -0.721318
  H      -5.645231      5.571316     -2.024712
  H      -3.465435      5.431644     -0.834020
  H      -3.376497      5.263119      1.623226
  H      -1.863517     -1.060620      4.112413
  H      -0.133486     -1.242570      3.794674
  H      -1.479994     -0.941739      1.742551
  H      -0.162830      0.255034      1.917727
  H      -7.532503      2.077502      2.472439
  H      -6.793703      2.343538     -2.009588
  H      -4.796563      2.202025     -3.515065
  H      -2.546824      1.752142     -2.533153
  H      -2.278173      1.428021     -0.113286
  H      -4.664885     -0.037119      5.310317
  H      -4.080835     -1.438395      6.234881
  H      -6.224506     -0.858828      7.083608
  H      -5.052483     -0.370505      8.346682
  H      -6.674340      5.514851      8.402306
  H     -10.709209      6.040691      6.330466
  H     -12.128215      4.628364      4.827121
  H     -11.358985      2.352707      4.171450
  H      -9.206516      1.461949      4.997044
  N      -1.232862      3.313175      3.690410
  H      -1.889311      4.103908      3.655271
  H      -1.198792      2.864860      2.771901
  H      -0.305017      3.694425      3.879915
99
Coordinates from ORCA-job orca E -6652.845001334612
  N      -2.171925      3.370227      6.427540
  Mo     -2.147592      1.673972      5.413202
  N      -3.049821      0.380228      6.589189
  C      -2.282674     -0.240565      7.679200
  C      -1.356497      0.776978      8.318117
  N      -0.537061      1.474269      7.290919
  C      -0.158869      2.854094      7.722280
  C      -0.866611      3.891125      6.825925
  C       0.586698      0.645934      6.785483
  C       0.667591      0.770102      5.259469
  N      -0.675599      0.584906      4.727484
  H      -0.248762      4.076074      5.935215
  H      -0.963554      4.855319      7.350505
  H       0.931873      2.980643      7.677169
  H      -0.460690      2.983475      8.770296
  H       1.359477      0.018938      4.846778
  H       1.062218      1.765534      4.983708
  H       0.383331     -0.401983      7.042937
  H       1.533355      0.939011      7.265941
  H      -2.952105     -0.633418      8.461761
  H      -1.717868     -1.107822      7.282448
  H      -1.972223      1.539348      8.812450
  H      -0.711308      0.304791      9.079065
  C      -3.329391      3.898997      7.144568
  C      -3.837864      5.222339      6.567236
  O      -4.803157      5.003623      5.510523
  C      -4.440506      5.214123      4.235549
  O      -3.297086      5.472284      3.877142
  C      -5.634984      5.144426      3.311077
  N      -6.814049      5.052815      3.913205
  C      -7.919891      5.086937      3.133357
  N      -7.963447      5.247105      1.823978
  C      -6.766403      5.312302      1.180052
  C      -6.772131      5.443120     -0.230910
  C      -5.585705      5.454548     -0.927575
  C      -4.355361      5.339296     -0.240068
  C      -4.312043      5.240922      1.135394
  C      -5.514319      5.234206      1.889408
  C      -0.966381     -0.477557      3.764453
  C      -1.121944     -0.016724      2.308281
  O      -2.010407      1.104832      2.019532
  C      -3.237225      1.223180      2.590563
  O      -3.340533      1.175409      3.893613
  C      -4.387197      1.541380      1.797870
  N      -5.513749      1.714524      2.532087
  C      -6.658205      1.932788      1.873912
  N      -6.837112      2.021773      0.560449
  C      -5.711710      1.910880     -0.207252
  C      -5.850579      2.067943     -1.607151
  C      -4.749715      1.997413     -2.435627
  C      -3.471323      1.770219     -1.886623
  C      -3.303726      1.608510     -0.521349
  C      -4.411749      1.669434      0.356111
  C      -4.288221     -0.343350      6.277749
  C      -5.395400     -0.171061      7.311195
  O      -5.902562      1.183450      7.367802
  C      -6.890165      1.464818      6.481012
  O      -7.264211      0.684576      5.624244
  C      -7.475045      2.836138      6.723169
  N      -6.786060      3.629110      7.533055
  C      -7.301710      4.856866      7.783861
  N      -8.436964      5.353339      7.336707
  C      -9.165387      4.552009      6.509284
  C     -10.396739      5.043264      6.009436
  C     -11.157170      4.266161      5.163077
  C     -10.712889      2.977051      4.784480
  C      -9.519637      2.468195      5.254663
  C      -8.714313      3.238182      6.135278
  H      -3.075220      4.065290      8.208125
  H      -4.161532      3.178545      7.129206
  H      -3.017806      5.847692      6.189961
  H      -4.399130      5.765918      7.338495
  H      -8.875016      4.994255      3.656835
  H      -7.740361      5.503801     -0.728161
  H      -5.588340      5.534950     -2.015345
  H      -3.423988      5.328558     -0.808071
  H      -3.357651      5.176666      1.648865
  H      -1.869455     -1.022796      4.077521
  H      -0.140481     -1.210385      3.758389
  H      -1.464933     -0.875372      1.707773
  H      -0.158693      0.329001      1.911027
  H      -7.549796      2.060910      2.497291
  H      -6.851300      2.266414     -1.991057
  H      -4.864572      2.123717     -3.513383
  H      -2.601496      1.721548     -2.543860
  H      -2.308039      1.441509     -0.120164
  H      -4.661539     -0.019016      5.298530
  H      -4.078004     -1.428538      6.210008
  H      -6.219697     -0.855838      7.068286
  H      -5.045559     -0.372080      8.331869
  H      -6.706322      5.496456      8.443101
  H     -10.708261      6.042677      6.314761
  H     -12.104329      4.645080      4.776072
  H     -11.323399      2.377894      4.107388
  H      -9.182948      1.478943      4.956364
  N      -1.219978      3.352814      3.711266
  H      -1.867430      4.151167      3.695702
  H      -1.206170      2.916095      2.786590
  H      -0.283690      3.717024      3.892346
99
Coordinates from ORCA-job orca E -6652.845511363054
  N      -2.170082      3.376170      6.459361
  Mo     -2.145170      1.696943      5.419995
  N      -3.047303      0.388517      6.578766
  C      -2.278215     -0.247080      7.659201
  C      -1.347959      0.761923      8.306948
  N      -0.531086      1.470656      7.284602
  C      -0.147462      2.843718      7.733992
  C      -0.866413      3.897297      6.865030
  C       0.589834      0.645405      6.766686
  C       0.667502      0.787002      5.241677
  N      -0.678525      0.614353      4.712373
  H      -0.254086      4.107540      5.975952
  H      -0.969100      4.848513      7.411182
  H       0.942720      2.969331      7.677321
  H      -0.435608      2.955577      8.787978
  H       1.355312      0.037710      4.819219
  H       1.067580      1.783586      4.977781
  H       0.383145     -0.404800      7.011918
  H       1.538112      0.929338      7.249322
  H      -2.944503     -0.649192      8.439709
  H      -1.715774     -1.110091      7.250059
  H      -1.960831      1.518915      8.812992
  H      -0.699921      0.280344      9.059448
  C      -3.332647      3.892365      7.176053
  C      -3.853750      5.205933      6.591505
  O      -4.799296      4.965242      5.522099
  C      -4.429875      5.203599      4.253983
  O      -3.289269      5.491266      3.909766
  C      -5.613934      5.126158      3.317531
  N      -6.802052      5.067811      3.904983
  C      -7.896198      5.104271      3.108347
  N      -7.918924      5.240750      1.795682
  C      -6.711964      5.271407      1.167143
  C      -6.694425      5.375308     -0.245696
  C      -5.497545      5.348205     -0.924326
  C      -4.280111      5.217692     -0.216651
  C      -4.259545      5.144278      1.161088
  C      -5.472587      5.182164      1.896201
  C      -0.973898     -0.424525      3.726215
  C      -1.127652      0.067864      2.280503
  O      -2.027388      1.188914      2.017402
  C      -3.253338      1.279541      2.594087
  O      -3.346345      1.228681      3.898908
  C      -4.416756      1.569192      1.810282
  N      -5.540440      1.721053      2.553908
  C      -6.695623      1.910611      1.905221
  N      -6.888831      1.989436      0.593092
  C      -5.767922      1.896808     -0.184211
  C      -5.923586      2.039698     -1.583906
  C      -4.829198      1.985784     -2.422304
  C      -3.541320      1.789199     -1.884280
  C      -3.357257      1.641424     -0.519487
  C      -4.457972      1.685986      0.367934
  C      -4.286435     -0.331443      6.261180
  C      -5.392589     -0.166687      7.296152
  O      -5.903257      1.186258      7.358727
  C      -6.894851      1.467550      6.475798
  O      -7.270170      0.687252      5.619446
  C      -7.481148      2.837137      6.720896
  N      -6.801650      3.622876      7.546125
  C      -7.320132      4.848178      7.802451
  N      -8.449752      5.349502      7.346226
  C      -9.168276      4.556428      6.502556
  C     -10.393934      5.052901      5.993679
  C     -11.145084      4.283921      5.131730
  C     -10.696317      2.998636      4.745620
  C      -9.508437      2.484897      5.224177
  C      -8.713121      3.245922      6.121700
  H      -3.078264      4.064803      8.238556
  H      -4.157270      3.162716      7.164199
  H      -3.038101      5.843098      6.224343
  H      -4.434761      5.742347      7.353068
  H      -8.859209      5.035744      3.620780
  H      -7.653711      5.446158     -0.758701
  H      -5.482727      5.408254     -2.013330
  H      -3.341398      5.170897     -0.770519
  H      -3.314815      5.063707      1.690436
  H      -1.877967     -0.973959      4.029326
  H      -0.150785     -1.160519      3.703386
  H      -1.460536     -0.780880      1.660331
  H      -0.166272      0.430918      1.894686
  H      -7.583614      2.019523      2.537467
  H      -6.931935      2.212950     -1.959544
  H      -4.956679      2.100618     -3.499958
  H      -2.677167      1.753827     -2.549829
  H      -2.354549      1.500210     -0.126319
  H      -4.661125      0.001991      5.285301
  H      -4.075825     -1.415652      6.182684
  H      -6.215042     -0.852732      7.050720
  H      -5.040984     -0.369975      8.315891
  H      -6.732833      5.480480      8.475844
  H     -10.708618      6.049403      6.305213
  H     -12.088037      4.666424      4.738013
  H     -11.298970      2.405950      4.055882
  H      -9.169201      1.498099      4.920823
  N      -1.211643      3.402982      3.740554
  H      -1.844358      4.213532      3.754724
  H      -1.223894      2.985966      2.806627
  H      -0.265187      3.745872      3.909926
99
Coordinates from ORCA-job orca E -6652.846141282776
  N      -2.166603      3.377125      6.478870
  Mo     -2.142452      1.709143      5.425233
  N      -3.041291      0.393187      6.576309
  C      -2.268765     -0.247899      7.650644
  C      -1.334525      0.758020      8.298716
  N      -0.521039      1.470435      7.275729
  C      -0.130521      2.839412      7.730680
  C      -0.865744      3.903336      6.886456
  C       0.595862      0.644775      6.750727
  C       0.668270      0.794250      5.226077
  N      -0.681346      0.628217      4.704765
  H      -0.261581      4.138066      5.997575
  H      -0.976756      4.842736      7.450447
  H       0.958229      2.965041      7.654389
  H      -0.398102      2.941328      8.791220
  H       1.352380      0.045199      4.797677
  H       1.072148      1.790584      4.967290
  H       0.385167     -0.405844      6.990456
  H       1.546238      0.922183      7.232846
  H      -2.930654     -0.654062      8.432701
  H      -1.708231     -1.109144      7.235287
  H      -1.944125      1.513089      8.811593
  H      -0.682993      0.272959      9.045790
  C      -3.335116      3.878764      7.194274
  C      -3.877251      5.181400      6.606755
  O      -4.802049      4.925148      5.522898
  C      -4.430399      5.209928      4.264551
  O      -3.295237      5.531818      3.933916
  C      -5.608062      5.137701      3.319753
  N      -6.801088      5.091472      3.896802
  C      -7.887436      5.136901      3.089450
  N      -7.897222      5.274833      1.777022
  C      -6.684069      5.296768      1.158922
  C      -6.651373      5.405308     -0.252915
  C      -5.447619      5.371060     -0.919136
  C      -4.238335      5.226423     -0.200073
  C      -4.233311      5.145719      1.177291
  C      -5.453497      5.194135      1.899469
  C      -0.979815     -0.400447      3.710716
  C      -1.128484      0.103353      2.269583
  O      -2.037109      1.221560      2.017029
  C      -3.261210      1.297943      2.597935
  O      -3.352364      1.253654      3.903645
  C      -4.433326      1.560103      1.816828
  N      -5.553568      1.714540      2.565682
  C      -6.713176      1.894749      1.921670
  N      -6.914444      1.966688      0.610378
  C      -5.797749      1.865509     -0.172281
  C      -5.961432      1.996829     -1.572586
  C      -4.872766      1.928358     -2.417103
  C      -3.582826      1.728189     -1.885833
  C      -3.390478      1.594378     -0.520795
  C      -4.485130      1.654771      0.373343
  C      -4.281258     -0.326006      6.261054
  C      -5.383450     -0.162662      7.299685
  O      -5.900016      1.187818      7.361103
  C      -6.901190      1.460618      6.485639
  O      -7.279517      0.674449      5.635962
  C      -7.489621      2.829560      6.727216
  N      -6.822024      3.610931      7.566640
  C      -7.344581      4.833646      7.824450
  N      -8.467408      5.338554      7.355062
  C      -9.173179      4.551181      6.495893
  C     -10.392238      5.051055      5.973989
  C     -11.131940      4.287553      5.097552
  C     -10.677322      3.005161      4.708730
  C      -9.495731      2.488319      5.199391
  C      -8.712858      3.243182      6.113068
  H      -3.079468      4.058443      8.255240
  H      -4.147774      3.135190      7.186556
  H      -3.070045      5.836393      6.252438
  H      -4.479752      5.702278      7.362388
  H      -8.854740      5.072943      3.593884
  H      -7.604374      5.486246     -0.775969
  H      -5.421696      5.437055     -2.007554
  H      -3.294965      5.170812     -0.744952
  H      -3.295535      5.047455      1.715749
  H      -1.886216     -0.948649      4.009588
  H      -0.160269     -1.140553      3.683512
  H      -1.453051     -0.742123      1.640586
  H      -0.168444      0.477514      1.891915
  H      -7.596978      2.001249      2.559880
  H      -6.971036      2.171929     -1.943456
  H      -5.006257      2.033360     -3.495006
  H      -2.723511      1.680968     -2.556801
  H      -2.385728      1.454782     -0.133027
  H      -4.660383      0.009393      5.287309
  H      -4.068478     -1.409301      6.178287
  H      -6.203345     -0.853116      7.058174
  H      -5.026690     -0.360474      8.318778
  H      -6.767526      5.460310      8.511797
  H     -10.711013      6.045380      6.288064
  H     -12.069908      4.672133      4.694237
  H     -11.270262      2.416600      4.007217
  H      -9.153376      1.503015      4.895098
  N      -1.215339      3.431348      3.751908
  H      -1.837812      4.248718      3.789728
  H      -1.247475      3.030094      2.811462
  H      -0.261954      3.761428      3.908495
99
Coordinates from ORCA-job orca E -6652.846757511104
  N      -2.168923      3.379551      6.503372
  Mo     -2.140997      1.724376      5.427591
  N      -3.036153      0.395251      6.566723
  C      -2.260121     -0.252242      7.634933
  C      -1.323485      0.749288      8.285755
  N      -0.514501      1.469065      7.263036
  C      -0.118409      2.832949      7.730389
  C      -0.869877      3.908108      6.914001
  C       0.600549      0.646035      6.729001
  C       0.668270      0.809074      5.205845
  N      -0.684103      0.649223      4.688914
  H      -0.273659      4.170537      6.027508
  H      -0.988693      4.832433      7.500881
  H       0.968402      2.962181      7.636231
  H      -0.367149      2.919088      8.796913
  H       1.348354      0.061191      4.768888
  H       1.074026      1.806350      4.954209
  H       0.389041     -0.406258      6.960259
  H       1.552167      0.918898      7.211097
  H      -2.920683     -0.662612      8.415932
  H      -1.701294     -1.111109      7.212207
  H      -1.930878      1.501247      8.805839
  H      -0.667584      0.260628      9.026504
  C      -3.340014      3.870557      7.223601
  C      -3.898315      5.167974      6.640404
  O      -4.802934      4.902127      5.542230
  C      -4.431636      5.230917      4.295047
  O      -3.303799      5.589793      3.978292
  C      -5.602204      5.156384      3.340590
  N      -6.800419      5.131661      3.907300
  C      -7.879078      5.180867      3.089325
  N      -7.874989      5.302936      1.775388
  C      -6.655479      5.301323      1.168559
  C      -6.607846      5.391451     -0.244221
  C      -5.398447      5.334403     -0.898360
  C      -4.197529      5.184088     -0.166014
  C      -4.206727      5.120572      1.211935
  C      -5.433277      5.193286      1.921433
  C      -0.983123     -0.364870      3.679671
  C      -1.133355      0.161891      2.247654
  O      -2.054173      1.274302      2.014369
  C      -3.277132      1.331492      2.601994
  O      -3.358310      1.290700      3.907559
  C      -4.458343      1.564055      1.825818
  N      -5.574432      1.722794      2.580002
  C      -6.738678      1.889620      1.940429
  N      -6.948041      1.946331      0.629449
  C      -5.836694      1.834573     -0.158568
  C      -6.008438      1.944250     -1.560193
  C      -4.925990      1.858836     -2.410436
  C      -3.632655      1.663802     -1.884189
  C      -3.431929      1.553512     -0.518524
  C      -4.520742      1.632673      0.381813
  C      -4.276190     -0.322501      6.249279
  C      -5.377178     -0.164863      7.290378
  O      -5.896891      1.184012      7.353178
  C      -6.901072      1.454149      6.480266
  O      -7.282724      0.665546      5.634891
  C      -7.491571      2.823301      6.723446
  N      -6.838371      3.596405      7.581603
  C      -7.364676      4.816317      7.843346
  N      -8.479318      5.326911      7.359669
  C      -9.169016      4.548758      6.479558
  C     -10.378267      5.055001      5.940288
  C     -11.102110      4.301652      5.042336
  C     -10.641047      3.022929      4.648215
  C      -9.469325      2.499873      5.155465
  C      -8.703038      3.244344      6.091593
  H      -3.081467      4.052304      8.283338
  H      -4.143815      3.117263      7.217718
  H      -3.098654      5.840237      6.302203
  H      -4.518863      5.670879      7.393873
  H      -8.851958      5.136960      3.585303
  H      -7.554469      5.476634     -0.778202
  H      -5.361863      5.386877     -1.987211
  H      -3.249880      5.111819     -0.701533
  H      -3.275687      5.016530      1.761645
  H      -1.890426     -0.916873      3.969452
  H      -0.164612     -1.105426      3.640964
  H      -1.449620     -0.674473      1.602596
  H      -0.177251      0.554181      1.878415
  H      -7.618248      2.002650      2.583194
  H      -7.019951      2.115496     -1.927914
  H      -5.066589      1.946544     -3.489018
  H      -2.777774      1.602405     -2.559695
  H      -2.424496      1.419321     -0.135572
  H      -4.656103      0.018333      5.277768
  H      -4.061318     -1.404966      6.160364
  H      -6.194920     -0.857702      7.048073
  H      -5.018562     -0.363360      8.308628
  H      -6.800247      5.435403      8.547983
  H     -10.701956      6.046391      6.258753
  H     -12.032247      4.691349      4.625897
  H     -11.220897      2.442232      3.929360
  H      -9.122442      1.517263      4.847687
  N      -1.210143      3.468917      3.773535
  H      -1.819496      4.294771      3.833443
  H      -1.264130      3.083263      2.827494
  H      -0.248809      3.781260      3.919193
99
Coordinates from ORCA-job orca E -6652.847352680356
  N      -2.172392      3.381239      6.528976
  Mo     -2.141252      1.739829      5.430921
  N      -3.032605      0.397589      6.557082
  C      -2.252846     -0.256034      7.619247
  C      -1.313790      0.740908      8.272795
  N      -0.509368      1.467546      7.250178
  C      -0.106748      2.826055      7.729643
  C      -0.875639      3.912242      6.943264
  C       0.603293      0.646568      6.706500
  C       0.666652      0.825382      5.185405
  N      -0.688032      0.672986      4.671109
  H      -0.288524      4.204800      6.060062
  H      -1.002577      4.819623      7.554566
  H       0.977514      2.959243      7.615180
  H      -0.334010      2.895898      8.802160
  H       1.342483      0.079164      4.738787
  H       1.074388      1.823763      4.941923
  H       0.389911     -0.407443      6.927708
  H       1.556312      0.913332      7.189122
  H      -2.912420     -0.669958      8.399233
  H      -1.696242     -1.112828      7.189377
  H      -1.918317      1.490185      8.800072
  H      -0.653546      0.248558      9.007144
  C      -3.346603      3.862836      7.253103
  C      -3.915269      5.155035      6.669773
  O      -4.795918      4.878141      5.554757
  C      -4.420431      5.241469      4.318416
  O      -3.299061      5.631961      4.017779
  C      -5.580999      5.164575      3.351621
  N      -6.784599      5.156271      3.906484
  C      -7.854518      5.205468      3.076103
  N      -7.835369      5.308041      1.760951
  C      -6.609106      5.289334      1.167481
  C      -6.545188      5.358929     -0.245910
  C      -5.328834      5.288266     -0.885593
  C      -4.136515      5.143627     -0.138004
  C      -4.161591      5.097868      1.240237
  C      -5.395877      5.184724      1.934436
  C      -0.987872     -0.325893      3.645548
  C      -1.140427      0.226156      2.223815
  O      -2.074232      1.331718      2.012146
  C      -3.295842      1.365973      2.606484
  O      -3.366285      1.328269      3.911701
  C      -4.487155      1.571968      1.838352
  N      -5.598282      1.726566      2.600590
  C      -6.768860      1.879840      1.968933
  N      -6.988150      1.930272      0.659355
  C      -5.883659      1.814833     -0.136909
  C      -6.066611      1.911660     -1.538240
  C      -4.992655      1.813160     -2.397127
  C      -3.695142      1.617764     -1.880052
  C      -3.482892      1.523972     -0.515213
  C      -4.563120      1.619925      0.394431
  C      -4.273834     -0.318338      6.239962
  C      -5.371375     -0.163039      7.285739
  O      -5.893544      1.184620      7.346846
  C      -6.906145      1.446965      6.481293
  O      -7.295656      0.651027      5.646964
  C      -7.497610      2.817376      6.721395
  N      -6.856294      3.585840      7.592479
  C      -7.386161      4.803847      7.854559
  N      -8.494262      5.317586      7.358238
  C      -9.170196      4.544888      6.462944
  C     -10.371501      5.054610      5.908683
  C     -11.081663      4.307537      4.994953
  C     -10.614357      3.031425      4.598864
  C      -9.450882      2.504712      5.120858
  C      -8.699064      3.242620      6.073901
  H      -3.087454      4.047514      8.312030
  H      -4.143251      3.102124      7.248254
  H      -3.120928      5.841933      6.349175
  H      -4.554834      5.643151      7.417377
  H      -8.833218      5.178608      3.561747
  H      -7.484957      5.440240     -0.792523
  H      -5.280272      5.325439     -1.974591
  H      -3.183317      5.063453     -0.662517
  H      -3.237821      4.996948      1.803123
  H      -1.896123     -0.882056      3.924839
  H      -0.170456     -1.066678      3.594264
  H      -1.447636     -0.599485      1.560778
  H      -0.188782      0.638082      1.864321
  H      -7.644064      1.990216      2.618131
  H      -7.080676      2.081286     -1.899564
  H      -5.142850      1.889877     -3.475254
  H      -2.846606      1.543752     -2.562272
  H      -2.472170      1.391709     -0.140493
  H      -4.655138      0.026470      5.270494
  H      -4.058652     -1.400465      6.146763
  H      -6.188170     -0.858464      7.047571
  H      -5.008045     -0.359738      8.302535
  H      -6.832634      5.418834      8.571427
  H     -10.699730      6.044070      6.228667
  H     -12.005398      4.700183      4.567090
  H     -11.182804      2.455602      3.867051
  H      -9.099935      1.523708      4.812597
  N      -1.207586      3.507889      3.796915
  H      -1.799743      4.343797      3.883007
  H      -1.285433      3.142968      2.844247
  H      -0.238064      3.799857      3.930856
99
Coordinates from ORCA-job orca E -6652.847908845037
  N      -2.181155      3.381328      6.549106
  Mo     -2.144491      1.751244      5.431486
  N      -3.031732      0.397930      6.545520
  C      -2.248992     -0.259675      7.604030
  C      -1.308642      0.734663      8.258985
  N      -0.508995      1.466512      7.235211
  C      -0.100062      2.820225      7.724026
  C      -0.886398      3.915193      6.966150
  C       0.602136      0.646927      6.684048
  C       0.663198      0.839751      5.165131
  N      -0.693324      0.695101      4.651052
  H      -0.308441      4.235303      6.086358
  H      -1.020176      4.805861      7.600339
  H       0.981033      2.957520      7.587715
  H      -0.304884      2.876075      8.801885
  H       1.335145      0.094659      4.710559
  H       1.073272      1.838933      4.928899
  H       0.387139     -0.408527      6.896231
  H       1.555904      0.908643      7.167857
  H      -2.908574     -0.675178      8.383209
  H      -1.694234     -1.115189      7.169485
  H      -1.910851      1.481925      8.791734
  H      -0.644033      0.240499      8.988135
  C      -3.356077      3.856662      7.279241
  C      -3.931829      5.146165      6.698397
  O      -4.793509      4.864710      5.570374
  C      -4.414416      5.258053      4.344283
  O      -3.298840      5.675401      4.059687
  C      -5.563917      5.175540      3.365318
  N      -6.772503      5.176591      3.909249
  C      -7.834148      5.219832      3.067247
  N      -7.801552      5.297303      1.750855
  C      -6.569167      5.268108      1.170192
  C      -6.490517      5.310843     -0.243627
  C      -5.266979      5.235506     -0.869112
  C      -4.081432      5.113763     -0.106702
  C      -4.120935      5.092042      1.271588
  C      -5.363583      5.180378      1.950588
  C      -0.990799     -0.286273      3.606571
  C      -1.143924      0.295432      2.197045
  O      -2.092075      1.392008      2.010178
  C      -3.313938      1.394789      2.607376
  O      -3.376888      1.360230      3.911177
  C      -4.511432      1.573389      1.841278
  N      -5.621964      1.723489      2.605148
  C      -6.794942      1.864944      1.974873
  N      -7.016212      1.910996      0.665747
  C      -5.914383      1.791608     -0.132661
  C      -6.100807      1.875546     -1.534331
  C      -5.030629      1.762700     -2.395706
  C      -3.732357      1.564701     -1.880348
  C      -3.516449      1.487182     -0.515389
  C      -4.592555      1.602115      0.397329
  C      -4.274482     -0.316334      6.229086
  C      -5.368397     -0.162628      7.279996
  O      -5.892213      1.184107      7.339572
  C      -6.917396      1.440477      6.486861
  O      -7.319320      0.638625      5.664458
  C      -7.505788      2.812894      6.727109
  N      -6.870895      3.574309      7.609056
  C      -7.400341      4.791444      7.874510
  N      -8.502164      5.311710      7.370209
  C      -9.169997      4.547263      6.462132
  C     -10.363445      5.064526      5.897642
  C     -11.065418      4.326405      4.970702
  C     -10.597835      3.051333      4.571104
  C      -9.442781      2.516857      5.103549
  C      -8.699066      3.245685      6.069849
  H      -3.093891      4.043569      8.336873
  H      -4.148304      3.091715      7.275919
  H      -3.141630      5.844894      6.393361
  H      -4.585183      5.621182      7.442698
  H      -8.818228      5.209598      3.542860
  H      -7.424199      5.376856     -0.802579
  H      -5.207420      5.251833     -1.958057
  H      -3.122226      5.035479     -0.620487
  H      -3.203459      5.010845      1.848254
  H      -1.900175     -0.847749      3.871708
  H      -0.173403     -1.025786      3.542650
  H      -1.438596     -0.517153      1.512340
  H      -0.196823      0.729419      1.851385
  H      -7.669649      1.972308      2.625036
  H      -7.115229      2.043723     -1.895349
  H      -5.184239      1.828671     -3.474016
  H      -2.886731      1.475240     -2.564287
  H      -2.504871      1.353868     -0.143389
  H      -4.656996      0.032639      5.261677
  H      -4.060110     -1.398312      6.132347
  H      -6.184413     -0.860746      7.047249
  H      -4.999616     -0.357690      8.295026
  H      -6.853718      5.400945      8.601316
  H     -10.691872      6.052988      6.220592
  H     -11.982814      4.725201      4.534918
  H     -11.159402      2.482456      3.828626
  H      -9.092517      1.536064      4.793833
  N      -1.209795      3.539458      3.816479
  H      -1.783801      4.385123      3.927023
  H      -1.310760      3.196377      2.857939
  H      -0.232589      3.810714      3.938835
99
Coordinates from ORCA-job orca E -6652.848413378473
  N      -2.186179      3.382104      6.571324
  Mo     -2.148849      1.765097      5.434103
  N      -3.032302      0.400779      6.536447
  C      -2.247188     -0.262948      7.589950
  C      -1.303256      0.727534      8.245998
  N      -0.508063      1.463825      7.221471
  C      -0.090113      2.812584      7.717988
  C      -0.892334      3.917385      6.989370
  C       0.599272      0.644511      6.660562
  C       0.657717      0.852785      5.143934
  N      -0.701014      0.718242      4.631328
  H      -0.323500      4.261213      6.112427
  H      -1.028140      4.792726      7.643906
  H       0.987501      2.951010      7.558181
  H      -0.269844      2.855453      8.800983
  H       1.325910      0.110156      4.679963
  H       1.071097      1.852825      4.916719
  H       0.380185     -0.412051      6.862535
  H       1.554575      0.897835      7.145750
  H      -2.905047     -0.680621      8.369442
  H      -1.695388     -1.117590      7.150328
  H      -1.901459      1.473044      8.785678
  H      -0.634981      0.229385      8.969031
  C      -3.362134      3.850523      7.303660
  C      -3.943370      5.135315      6.720816
  O      -4.785891      4.845721      5.580275
  C      -4.403372      5.265656      4.363841
  O      -3.294080      5.709854      4.095950
  C      -5.541171      5.175351      3.372398
  N      -6.755814      5.183392      3.902947
  C      -7.807383      5.219318      3.047283
  N      -7.759272      5.275994      1.730424
  C      -6.520305      5.240058      1.164385
  C      -6.424262      5.262627     -0.248711
  C      -5.192342      5.183762     -0.857639
  C      -4.015812      5.078944     -0.079075
  C      -4.072721      5.076368      1.298930
  C      -5.324317      5.166795      1.960395
  C      -0.999421     -0.243717      3.569497
  C      -1.152313      0.364500      2.171905
  O      -2.114701      1.452363      2.006833
  C      -3.333287      1.426259      2.610098
  O      -3.388711      1.394039      3.913833
  C      -4.538276      1.578298      1.849159
  N      -5.647805      1.714551      2.616601
  C      -6.824960      1.840030      1.990351
  N      -7.051188      1.881346      0.682085
  C      -5.951532      1.768780     -0.120387
  C      -6.144868      1.841521     -1.521607
  C      -5.077537      1.730701     -2.387003
  C      -3.775843      1.545122     -1.875888
  C      -3.553388      1.479936     -0.511361
  C      -4.625730      1.595085      0.405392
  C      -4.276732     -0.311366      6.221325
  C      -5.365559     -0.157958      7.277277
  O      -5.890404      1.188241      7.336257
  C      -6.929346      1.436337      6.497849
  O      -7.342407      0.626646      5.688511
  C      -7.515449      2.810155      6.733540
  N      -6.886342      3.568799      7.622189
  C      -7.415776      4.786400      7.885539
  N      -8.511526      5.310348      7.371811
  C      -9.172730      4.549635      6.455836
  C     -10.359004      5.071554      5.880852
  C     -11.054440      4.337022      4.946170
  C     -10.587062      3.061060      4.549232
  C      -9.438955      2.522034      5.091991
  C      -8.701846      3.246935      6.066306
  H      -3.098671      4.040874      8.360333
  H      -4.150609      3.081681      7.301988
  H      -3.157039      5.843696      6.428111
  H      -4.611813      5.600941      7.457754
  H      -8.796862      5.219376      3.511447
  H      -7.350902      5.317007     -0.820465
  H      -5.119129      5.184213     -1.945882
  H      -3.049998      4.999032     -0.580076
  H      -3.162422      5.011063      1.888643
  H      -1.909642     -0.808755      3.824224
  H      -0.182759     -0.982865      3.492840
  H      -1.433507     -0.437245      1.468696
  H      -0.208813      0.816813      1.840042
  H      -7.699059      1.936324      2.642912
  H      -7.162210      1.998217     -1.879423
  H      -5.236291      1.787858     -3.465056
  H      -2.932827      1.454818     -2.562937
  H      -2.539140      1.357007     -0.143127
  H      -4.662355      0.041266      5.256274
  H      -4.064555     -1.393282      6.120804
  H      -6.182220     -0.857479      7.051671
  H      -4.989887     -0.350446      8.290388
  H      -6.874919      5.393305      8.618838
  H     -10.687360      6.060514      6.202363
  H     -11.966481      4.739226      4.502325
  H     -11.143251      2.495144      3.800459
  H      -9.089739      1.539889      4.785505
  N      -1.212281      3.573608      3.838024
  H      -1.767338      4.428257      3.973255
  H      -1.337646      3.251683      2.874906
  H      -0.227607      3.822518      3.947293
99
Coordinates from ORCA-job orca E -6652.848878438114
  N      -2.193128      3.381154      6.586880
  Mo     -2.154715      1.772824      5.433851
  N      -3.034950      0.401165      6.527942
  C      -2.250068     -0.264922      7.581238
  C      -1.302102      0.723597      8.234552
  N      -0.510921      1.458813      7.205585
  C      -0.080567      2.803371      7.704322
  C      -0.898373      3.916220      7.003342
  C       0.592119      0.636124      6.639102
  C       0.652283      0.858385      5.125371
  N      -0.707683      0.735911      4.610369
  H      -0.338107      4.279092      6.128543
  H      -1.032785      4.777806      7.675966
  H       0.992380      2.940758      7.515700
  H      -0.230632      2.836585      8.792189
  H       1.316351      0.116877      4.653854
  H       1.070780      1.858456      4.907126
  H       0.365787     -0.420618      6.831257
  H       1.547991      0.879581      7.128099
  H      -2.908643     -0.679282      8.361816
  H      -1.702156     -1.121837      7.141897
  H      -1.895220      1.470581      8.777767
  H      -0.630502      0.224037      8.953465
  C      -3.365175      3.849328      7.325768
  C      -3.945246      5.137338      6.750299
  O      -4.775383      4.853765      5.598746
  C      -4.388257      5.293260      4.390213
  O      -3.283847      5.757424      4.136555
  C      -5.516032      5.192775      3.388889
  N      -6.734263      5.195994      3.912318
  C      -7.779978      5.213671      3.048474
  N      -7.723744      5.239299      1.731285
  C      -6.481151      5.208594      1.173610
  C      -6.375853      5.200584     -0.238888
  C      -5.138132      5.134758     -0.837740
  C      -3.964997      5.076741     -0.049745
  C      -4.031329      5.102943      1.327775
  C      -5.289581      5.173535      1.978671
  C      -1.003121     -0.207769      3.531585
  C      -1.155015      0.426501      2.146556
  O      -2.133023      1.501933      2.001182
  C      -3.348247      1.444795      2.609613
  O      -3.399789      1.419577      3.912511
  C      -4.558763      1.573041      1.851818
  N      -5.667821      1.698511      2.620815
  C      -6.847186      1.814821      1.996750
  N      -7.075483      1.855978      0.689244
  C      -5.977470      1.746040     -0.115704
  C      -6.175215      1.812362     -1.516288
  C      -5.110291      1.698436     -2.384498
  C      -3.807469      1.515171     -1.876037
  C      -3.580907      1.458437     -0.511829
  C      -4.649549      1.579954      0.407950
  C      -4.281662     -0.308718      6.215643
  C      -5.366042     -0.152572      7.275604
  O      -5.890568      1.193667      7.330653
  C      -6.946623      1.430969      6.510847
  O      -7.376575      0.609845      5.721724
  C      -7.528969      2.806954      6.738907
  N      -6.903210      3.565524      7.630058
  C      -7.430784      4.785521      7.886628
  N      -8.519768      5.312558      7.362136
  C      -9.176865      4.552647      6.442553
  C     -10.354751      5.078935      5.855188
  C     -11.046026      4.344535      4.917286
  C     -10.582946      3.064040      4.530298
  C      -9.442940      2.520679      5.085539
  C      -8.709344      3.245691      6.062309
  H      -3.095656      4.036914      8.381430
  H      -4.156004      3.083111      7.324395
  H      -3.159555      5.851850      6.471204
  H      -4.622706      5.593734      7.484832
  H      -8.772522      5.221602      3.505719
  H      -7.299102      5.223599     -0.818070
  H      -5.057079      5.111105     -1.925137
  H      -2.994102      5.012920     -0.543144
  H      -3.124235      5.080368      1.924935
  H      -1.914124     -0.776963      3.774203
  H      -0.185822     -0.944905      3.444327
  H      -1.418954     -0.364471      1.424308
  H      -0.215368      0.898228      1.830653
  H      -7.721534      1.904694      2.649439
  H      -7.193730      1.965010     -1.871869
  H      -5.272181      1.750623     -3.462273
  H      -2.966708      1.419012     -2.565002
  H      -2.565445      1.337933     -0.146673
  H      -4.668932      0.045909      5.251752
  H      -4.073283     -1.391150      6.114666
  H      -6.183999     -0.853086      7.058992
  H      -4.983817     -0.341000      8.287145
  H      -6.894268      5.392539      8.622923
  H     -10.680319      6.070927      6.170004
  H     -11.951757      4.750022      4.463671
  H     -11.136046      2.498265      3.779172
  H      -9.097810      1.534346      4.788137
  N      -1.215787      3.596045      3.852520
  H      -1.751149      4.459992      4.002883
  H      -1.359297      3.292427      2.885789
  H      -0.224570      3.821518      3.953196
99
Coordinates from ORCA-job orca E -6652.849306466622
  N      -2.197539      3.382279      6.604436
  Mo     -2.158673      1.783734      5.436299
  N      -3.034569      0.404170      6.522995
  C      -2.249361     -0.265594      7.573433
  C      -1.297315      0.720721      8.224999
  N      -0.510658      1.457526      7.193813
  C      -0.072026      2.798094      7.696041
  C      -0.902258      3.917430      7.018943
  C       0.587859      0.634133      6.619302
  C       0.646740      0.867704      5.107738
  N      -0.715031      0.754656      4.594884
  H      -0.349032      4.294000      6.145637
  H      -1.034040      4.768635      7.704903
  H       0.997046      2.935984      7.487171
  H      -0.200185      2.821608      8.787009
  H       1.307334      0.127655      4.629295
  H       1.069616      1.867841      4.897132
  H       0.356542     -0.422859      6.803934
  H       1.545253      0.869516      7.109353
  H      -2.906244     -0.679907      8.355399
  H      -1.704245     -1.123204      7.132069
  H      -1.886785      1.467007      8.773206
  H      -0.622687      0.218413      8.939144
  C      -3.367799      3.846478      7.345740
  C      -3.952005      5.131500      6.768806
  O      -4.774051      4.841815      5.613557
  C      -4.383675      5.294904      4.411786
  O      -3.282537      5.774234      4.171564
  C      -5.500136      5.185912      3.399417
  N      -6.724770      5.194144      3.908016
  C      -7.759641      5.206551      3.031487
  N      -7.687468      5.219049      1.714559
  C      -6.438200      5.183203      1.172192
  C      -6.314859      5.162827     -0.238627
  C      -5.069299      5.094524     -0.821013
  C      -3.906148      5.047366     -0.017753
  C      -3.990070      5.085437      1.358691
  C      -5.256963      5.157239      1.992627
  C      -1.011248     -0.167342      3.498802
  C      -1.163900      0.492491      2.126646
  O      -2.155823      1.558178      2.000504
  C      -3.366591      1.472110      2.613580
  O      -3.411117      1.449154      3.916757
  C      -4.582305      1.574379      1.858911
  N      -5.691051      1.682087      2.630260
  C      -6.874318      1.775130      2.009589
  N      -7.107826      1.801296      0.702577
  C      -6.010231      1.706992     -0.105108
  C      -6.214879      1.756713     -1.505415
  C      -5.150281      1.661333     -2.376481
  C      -3.841990      1.513755     -1.871405
  C      -3.609109      1.471757     -0.507540
  C      -4.676938      1.573584      0.415130
  C      -4.280895     -0.303741      6.206203
  C      -5.367099     -0.151002      7.264067
  O      -5.894094      1.194819      7.317877
  C      -6.956228      1.430805      6.505304
  O      -7.392562      0.608466      5.720506
  C      -7.536850      2.806595      6.735239
  N      -6.913702      3.559637      7.633042
  C      -7.439893      4.779797      7.892743
  N      -8.523993      5.312243      7.364513
  C      -9.178893      4.558447      6.438309
  C     -10.351993      5.091202      5.847612
  C     -11.041621      4.362507      4.903873
  C     -10.581373      3.081854      4.514737
  C      -9.445628      2.532523      5.072990
  C      -8.713517      3.251381      6.055361
  H      -3.096030      4.036704      8.400390
  H      -4.156879      3.078066      7.346978
  H      -3.169032      5.849895      6.492312
  H      -4.636418      5.584882      7.498699
  H      -8.757470      5.223039      3.477211
  H      -7.230957      5.179452     -0.829239
  H      -4.974055      5.061479     -1.907009
  H      -2.928697      4.981683     -0.497821
  H      -3.089943      5.074420      1.967266
  H      -1.921807     -0.741519      3.732168
  H      -0.193813     -0.902565      3.396918
  H      -1.414726     -0.287547      1.387865
  H      -0.227981      0.979920      1.823663
  H      -7.748116      1.856913      2.663928
  H      -7.237939      1.883573     -1.857919
  H      -5.316891      1.701554     -3.454080
  H      -3.001459      1.433314     -2.562700
  H      -2.589735      1.378571     -0.145390
  H      -4.667195      0.055481      5.243417
  H      -4.073475     -1.385931      6.101017
  H      -6.183203     -0.853268      7.046766
  H      -4.985838     -0.337774      8.276434
  H      -6.905581      5.381515      8.635016
  H     -10.675692      6.083059      6.164731
  H     -11.943847      4.772743      4.447554
  H     -11.133343      2.520752      3.759278
  H      -9.103095      1.545619      4.774500
  N      -1.213651      3.621413      3.870927
  H      -1.733484      4.492183      4.035614
  H      -1.377012      3.328087      2.904040
  H      -0.216919      3.826282      3.959724
99
Coordinates from ORCA-job orca E -6652.849719950459
  N      -2.196602      3.383480      6.621740
  Mo     -2.161550      1.796127      5.438014
  N      -3.035726      0.410275      6.518696
  C      -2.252856     -0.263051      7.567453
  C      -1.292960      0.719039      8.214627
  N      -0.509302      1.451990      7.179356
  C      -0.055639      2.787966      7.680845
  C      -0.900449      3.916570      7.034785
  C       0.580132      0.622184      6.597721
  C       0.640440      0.870028      5.089316
  N      -0.722476      0.771887      4.577349
  H      -0.356108      4.312149      6.164190
  H      -1.028941      4.754272      7.737478
  H       1.007471      2.923773      7.442618
  H      -0.151557      2.801375      8.775486
  H       1.296314      0.130988      4.603058
  H       1.071750      1.869121      4.889848
  H       0.335604     -0.433599      6.771920
  H       1.539633      0.841327      7.091322
  H      -2.908764     -0.673344      8.352330
  H      -1.713712     -1.124689      7.126521
  H      -1.875252      1.467906      8.767060
  H      -0.616522      0.212897      8.924363
  C      -3.365877      3.841712      7.365599
  C      -3.953357      5.129440      6.797809
  O      -4.765110      4.843690      5.632768
  C      -4.372674      5.311920      4.437438
  O      -3.276911      5.808130      4.207301
  C      -5.480150      5.190293      3.416331
  N      -6.709822      5.195407      3.912594
  C      -7.735675      5.187176      3.025324
  N      -7.650736      5.174842      1.709220
  C      -6.396032      5.143009      1.179372
  C      -6.257889      5.097898     -0.229434
  C      -5.005436      5.038889     -0.797804
  C      -3.850261      5.026660      0.017708
  C      -3.949225      5.086464      1.392488
  C      -5.223513      5.147480      2.012237
  C      -1.021216     -0.131285      3.468194
  C      -1.172182      0.546904      2.106383
  O      -2.177437      1.602371      1.991119
  C      -3.380319      1.497051      2.614428
  O      -3.419714      1.479770      3.918373
  C      -4.604535      1.577567      1.869018
  N      -5.709226      1.663280      2.647826
  C      -6.898611      1.736395      2.035958
  N      -7.142651      1.755955      0.730549
  C      -6.048546      1.682525     -0.084523
  C      -6.265189      1.725361     -1.483494
  C      -5.204799      1.653263     -2.362062
  C      -3.890195      1.536708     -1.866624
  C      -3.645799      1.500520     -0.504426
  C      -4.708712      1.576780      0.425908
  C      -4.283225     -0.295018      6.202389
  C      -5.366153     -0.140989      7.262444
  O      -5.894147      1.204847      7.312356
  C      -6.967921      1.430011      6.512696
  O      -7.414404      0.597591      5.744044
  C      -7.547332      2.807250      6.731531
  N      -6.929832      3.563794      7.630392
  C      -7.454826      4.787361      7.877922
  N      -8.530178      5.321128      7.334252
  C      -9.179503      4.563776      6.406689
  C     -10.343310      5.098385      5.799915
  C     -11.028233      4.364929      4.856126
  C     -10.572302      3.077882      4.483874
  C      -9.444896      2.527051      5.057527
  C      -8.717231      3.251285      6.039313
  H      -3.092364      4.024993      8.421120
  H      -4.154845      3.072824      7.363015
  H      -3.172505      5.854237      6.532736
  H      -4.647524      5.572733      7.524675
  H      -8.737497      5.205968      3.461549
  H      -7.168448      5.090832     -0.828763
  H      -4.898224      4.988296     -1.882014
  H      -2.866599      4.968574     -0.450524
  H      -3.054194      5.102182      2.008042
  H      -1.932344     -0.707814      3.694476
  H      -0.205493     -0.867027      3.355014
  H      -1.409801     -0.225894      1.355639
  H      -0.239370      1.047211      1.814979
  H      -7.769117      1.802057      2.696496
  H      -7.293661      1.829276     -1.827357
  H      -5.379845      1.688411     -3.438541
  H      -3.053012      1.476622     -2.564075
  H      -2.621728      1.432329     -0.150046
  H      -4.672190      0.065989      5.241040
  H      -4.077805     -1.377309      6.094444
  H      -6.182810     -0.844130      7.050725
  H      -4.981072     -0.322400      8.274478
  H      -6.926171      5.389561      8.623890
  H     -10.664423      6.094754      6.105227
  H     -11.923648      4.776109      4.387413
  H     -11.121082      2.512902      3.728950
  H      -9.105923      1.534995      4.772479
  N      -1.208766      3.646741      3.885749
  H      -1.709972      4.525935      4.061734
  H      -1.388581      3.363114      2.918693
  H      -0.206735      3.827671      3.965239
99
Coordinates from ORCA-job orca E -6652.850125413756
  N      -2.195137      3.385180      6.630143
  Mo     -2.162445      1.803297      5.436020
  N      -3.037703      0.415137      6.513798
  C      -2.258519     -0.258611      7.564853
  C      -1.291882      0.720280      8.206871
  N      -0.510061      1.447733      7.166033
  C      -0.043479      2.780087      7.666390
  C      -0.897100      3.914958      7.041917
  C       0.572802      0.610784      6.581971
  C       0.636204      0.867135      5.075734
  N      -0.727185      0.781662      4.562055
  H      -0.359403      4.324102      6.173497
  H      -1.023443      4.742321      7.757242
  H       1.014955      2.914544      7.407681
  H      -0.117272      2.786234      8.762879
  H       1.286606      0.125546      4.585920
  H       1.076057      1.863972      4.883003
  H       0.317330     -0.443431      6.749648
  H       1.533402      0.818083      7.078689
  H      -2.916856     -0.661272      8.351644
  H      -1.725404     -1.125649      7.127046
  H      -1.868549      1.472951      8.760078
  H      -0.614087      0.212995      8.914442
  C      -3.360732      3.842634      7.380639
  C      -3.945616      5.136332      6.823264
  O      -4.753770      4.859785      5.653407
  C      -4.354350      5.331419      4.462024
  O      -3.260398      5.834953      4.240309
  C      -5.454165      5.202860      3.433243
  N      -6.687165      5.197866      3.920686
  C      -7.706643      5.173009      3.026629
  N      -7.612471      5.144841      1.711395
  C      -6.353551      5.123718      1.191005
  C      -6.204913      5.064332     -0.216533
  C      -4.948176      5.023720     -0.776330
  C      -3.798553      5.043744      0.046884
  C      -3.907710      5.114609      1.420066
  C      -5.187059      5.155766      2.031434
  C      -1.027422     -0.106048      3.439940
  C      -1.178567      0.591579      2.088404
  O      -2.193405      1.638936      1.985611
  C      -3.392359      1.517361      2.614386
  O      -3.424502      1.505448      3.918261
  C      -4.621554      1.580192      1.874867
  N      -5.723463      1.653035      2.658290
  C      -6.916666      1.703139      2.051569
  N      -7.167437      1.707680      0.747183
  C      -6.076262      1.648292     -0.072274
  C      -6.300396      1.675134     -1.470886
  C      -5.243279      1.615544     -2.353858
  C      -3.924169      1.528372     -1.863715
  C      -3.672582      1.507872     -0.502611
  C      -4.732362      1.570757      0.432595
  C      -4.286164     -0.287924      6.195889
  C      -5.370330     -0.132511      7.255042
  O      -5.900069      1.212921      7.299269
  C      -6.982078      1.429514      6.508782
  O      -7.434655      0.590716      5.750979
  C      -7.562290      2.807824      6.722573
  N      -6.945276      3.567972      7.618477
  C      -7.470205      4.792683      7.860752
  N      -8.544046      5.325182      7.313060
  C      -9.192975      4.563759      6.388472
  C     -10.355349      5.096764      5.777388
  C     -11.040816      4.358898      4.837427
  C     -10.587001      3.068739      4.473424
  C      -9.460835      2.519611      5.051086
  C      -8.732306      3.248845      6.028584
  H      -3.084515      4.018060      8.436783
  H      -4.152066      3.076327      7.374090
  H      -3.163484      5.862493      6.566071
  H      -4.641302      5.573602      7.552222
  H      -8.711767      5.187472      3.455318
  H      -7.111285      5.034594     -0.821487
  H      -4.833012      4.963618     -1.859224
  H      -2.810501      5.003721     -0.414094
  H      -3.017107      5.157759      2.040528
  H      -1.939432     -0.685002      3.657241
  H      -0.213566     -0.841866      3.315085
  H      -1.407659     -0.170988      1.324589
  H      -0.249266      1.104416      1.807443
  H      -7.784737      1.759865      2.715848
  H      -7.332440      1.756179     -1.810398
  H      -5.424085      1.637969     -3.429715
  H      -3.089058      1.479431     -2.564499
  H      -2.645517      1.462313     -0.153342
  H      -4.673364      0.073943      5.234156
  H      -4.081526     -1.370459      6.087859
  H      -6.185942     -0.837271      7.044707
  H      -4.986128     -0.310030      8.267972
  H      -6.942240      5.396997      8.605441
  H     -10.675211      6.095379      6.076586
  H     -11.935096      4.768893      4.365533
  H     -11.136540      2.499895      3.721964
  H      -9.123884      1.524940      4.773068
  N      -1.199856      3.661190      3.891831
  H      -1.685182      4.547832      4.073513
  H      -1.392958      3.381508      2.926137
  H      -0.194120      3.823176      3.963758
99
Coordinates from ORCA-job orca E -6652.850518916827
  N      -2.196916      3.386861      6.638602
  Mo     -2.164494      1.810147      5.434789
  N      -3.039709      0.420717      6.511500
  C      -2.263511     -0.250118      7.565769
  C      -1.290139      0.727830      8.199394
  N      -0.510575      1.447166      7.150984
  C      -0.030662      2.776852      7.646045
  C      -0.898988      3.916553      7.050210
  C       0.565153      0.601737      6.565828
  C       0.630290      0.863220      5.060867
  N      -0.733894      0.788955      4.548639
  H      -0.372139      4.347560      6.185477
  H      -1.026939      4.729280      7.781996
  H       1.020423      2.912077      7.359662
  H      -0.074358      2.775774      8.744277
  H       1.275098      0.118125      4.568822
  H       1.078803      1.857253      4.872613
  H       0.298090     -0.450279      6.728978
  H       1.527013      0.797379      7.064807
  H      -2.923142     -0.643207      8.356338
  H      -1.736672     -1.123780      7.133281
  H      -1.861236      1.485513      8.751580
  H      -0.610492      0.221778      8.905944
  C      -3.361436      3.839505      7.395035
  C      -3.946778      5.139943      6.852151
  O      -4.752216      4.875452      5.677676
  C      -4.345111      5.348873      4.489853
  O      -3.253400      5.859941      4.276402
  C      -5.434927      5.206966      3.451949
  N      -6.671561      5.189182      3.928798
  C      -7.683093      5.140240      3.027189
  N      -7.577475      5.091329      1.713536
  C      -6.313777      5.084285      1.204118
  C      -6.153405      5.007477     -0.201681
  C      -4.892685      4.992014     -0.752705
  C      -3.749954      5.052940      0.078214
  C      -3.870281      5.136540      1.449505
  C      -5.154840      5.152514      2.052496
  C      -1.035373     -0.083090      3.414154
  C      -1.185921      0.631778      2.071779
  O      -2.208964      1.672321      1.980166
  C      -3.403921      1.534621      2.613564
  O      -3.432134      1.528882      3.916826
  C      -4.637910      1.576861      1.878790
  N      -5.737531      1.628841      2.666970
  C      -6.934247      1.652934      2.065636
  N      -7.191250      1.650458      0.762489
  C      -6.103003      1.614923     -0.061386
  C      -6.334249      1.639230     -1.459370
  C      -5.280653      1.603102     -2.347123
  C      -3.957345      1.544519     -1.863047
  C      -3.698826      1.529166     -0.503397
  C      -4.755558      1.566413      0.437324
  C      -4.288329     -0.281567      6.191479
  C      -5.374341     -0.126858      7.249621
  O      -5.905854      1.218149      7.288818
  C      -6.993040      1.430036      6.504549
  O      -7.452140      0.587167      5.755540
  C      -7.572998      2.809347      6.717114
  N      -6.956707      3.570022      7.612898
  C      -7.478371      4.797096      7.850038
  N      -8.545953      5.333537      7.294059
  C      -9.193938      4.571250      6.369492
  C     -10.349341      5.108414      5.748557
  C     -11.035154      4.369333      4.809940
  C     -10.589526      3.073046      4.457758
  C      -9.469945      2.520136      5.044420
  C      -8.739996      3.251843      6.019070
  H      -3.084203      4.004606      8.452588
  H      -4.153173      3.073920      7.381657
  H      -3.164618      5.869523      6.604790
  H      -4.643817      5.567224      7.585328
  H      -8.692142      5.150080      3.446785
  H      -7.054547      4.948591     -0.812238
  H      -4.769075      4.921430     -1.833983
  H      -2.757715      5.036791     -0.375249
  H      -2.984873      5.212431      2.074337
  H      -1.948550     -0.664156      3.621510
  H      -0.223853     -0.819580      3.278543
  H      -1.410020     -0.121124      1.297148
  H      -0.260127      1.155417      1.799378
  H      -7.799288      1.693236      2.734850
  H      -7.369595      1.698515     -1.793454
  H      -5.466792      1.622253     -3.422089
  H      -3.124482      1.516695     -2.567596
  H      -2.669205      1.508240     -0.159618
  H      -4.674329      0.081801      5.229831
  H      -4.082776     -1.363805      6.081696
  H      -6.187846     -0.833678      7.038206
  H      -4.992383     -0.300967      8.263777
  H      -6.952147      5.400253      8.596781
  H     -10.663877      6.111071      6.039648
  H     -11.923979      4.782610      4.330739
  H     -11.140003      2.502313      3.708462
  H      -9.139414      1.520868      4.775542
  N      -1.196324      3.673047      3.895073
  H      -1.667637      4.565754      4.080020
  H      -1.401199      3.394229      2.931742
  H      -0.187668      3.819784      3.959753
99
Coordinates from ORCA-job orca E -6652.850875734976
  N      -2.195481      3.390417      6.646506
  Mo     -2.166995      1.820212      5.432290
  N      -3.044863      0.429868      6.506242
  C      -2.271816     -0.240448      7.562874
  C      -1.291001      0.734537      8.190129
  N      -0.512195      1.446309      7.135655
  C      -0.017620      2.772213      7.626593
  C      -0.897662      3.918601      7.060334
  C       0.555835      0.592156      6.548318
  C       0.622255      0.859179      5.044448
  N      -0.742854      0.797786      4.533354
  H      -0.381241      4.373581      6.201334
  H      -1.026980      4.714434      7.810263
  H       1.025930      2.906542      7.313811
  H      -0.032443      2.763626      8.725684
  H       1.260853      0.110385      4.549853
  H       1.079677      1.850070      4.860306
  H       0.277385     -0.457611      6.706957
  H       1.519226      0.775825      7.048870
  H      -2.933010     -0.624511      8.356611
  H      -1.752165     -1.120469      7.134505
  H      -1.855919      1.497193      8.741884
  H      -0.610510      0.227963      8.895380
  C      -3.359247      3.838472      7.407525
  C      -3.942529      5.144574      6.876279
  O      -4.746846      4.890263      5.699643
  C      -4.333112      5.362584      4.514014
  O      -3.243297      5.879766      4.306826
  C      -5.413492      5.205811      3.468252
  N      -6.653962      5.174630      3.933864
  C      -7.656388      5.100451      3.024002
  N      -7.537440      5.032695      1.712210
  C      -6.268845      5.041446      1.214879
  C      -6.094581      4.951310     -0.188800
  C      -4.829453      4.961997     -0.729630
  C      -3.695645      5.061071      0.110297
  C      -3.829680      5.153622      1.479566
  C      -5.119336      5.144125      2.072070
  C      -1.047304     -0.059439      3.388485
  C      -1.195312      0.670783      2.054483
  O      -2.224316      1.707312      1.972337
  C      -3.415470      1.558712      2.610684
  O      -3.439273      1.555875      3.913274
  C      -4.652919      1.581479      1.880097
  N      -5.751031      1.612250      2.671479
  C      -6.949656      1.605835      2.073441
  N      -7.210426      1.592011      0.771180
  C      -6.124440      1.582203     -0.055700
  C      -6.360113      1.597423     -1.453470
  C      -5.308455      1.586382     -2.343804
  C      -3.982451      1.562945     -1.862984
  C      -3.719997      1.556808     -0.504272
  C      -4.775044      1.567816      0.439425
  C      -4.293733     -0.271486      6.183510
  C      -5.380498     -0.119521      7.241780
  O      -5.914647      1.224450      7.279845
  C      -7.009673      1.430983      6.505283
  O      -7.474368      0.584658      5.763806
  C      -7.587424      2.812265      6.714889
  N      -6.967120      3.575903      7.605229
  C      -7.484031      4.806053      7.836202
  N      -8.548216      5.344921      7.275855
  C      -9.200522      4.579162      6.357259
  C     -10.352390      5.118525      5.731404
  C     -11.044128      4.375390      4.800553
  C     -10.609081      3.071856      4.461992
  C      -9.492761      2.517030      5.052950
  C      -8.755335      3.254087      6.017945
  H      -3.081806      3.993970      8.466510
  H      -4.151815      3.074126      7.387011
  H      -3.159408      5.875665      6.636330
  H      -4.639312      5.564805      7.613539
  H      -8.669655      5.102399      3.433431
  H      -6.988908      4.865865     -0.806189
  H      -4.695718      4.884210     -1.809165
  H      -2.699370      5.069141     -0.334555
  H      -2.951852      5.261031      2.110729
  H      -1.962696     -0.640279      3.587025
  H      -0.239087     -0.797889      3.243929
  H      -1.415457     -0.072934      1.270044
  H      -0.271700      1.202736      1.791163
  H      -7.812441      1.625814      2.746105
  H      -7.397837      1.628510     -1.784756
  H      -5.497579      1.597882     -3.418330
  H      -3.150984      1.556417     -2.569673
  H      -2.689238      1.563957     -0.163231
  H      -4.679446      0.094795      5.222793
  H      -4.087232     -1.353162      6.070256
  H      -6.192024     -0.828242      7.029168
  H      -4.999080     -0.292706      8.256186
  H      -6.956074      5.410572      8.580570
  H     -10.659706      6.126090      6.013093
  H     -11.930153      4.790504      4.317783
  H     -11.164884      2.496903      3.719913
  H      -9.170494      1.512377      4.794479
  N      -1.190815      3.688257      3.898141
  H      -1.649316      4.586567      4.088398
  H      -1.408465      3.411074      2.937136
  H      -0.179982      3.822068      3.955436
99
Coordinates from ORCA-job orca E -6652.851188106356
  N      -2.194186      3.392185      6.656075
  Mo     -2.168199      1.829623      5.431948
  N      -3.047463      0.438022      6.503179
  C      -2.275794     -0.229709      7.562839
  C      -1.288069      0.744033      8.182379
  N      -0.510739      1.448028      7.120669
  C      -0.002219      2.771069      7.605902
  C      -0.897816      3.922528      7.073777
  C       0.550269      0.585120      6.531985
  C       0.615637      0.853428      5.027978
  N      -0.751737      0.804210      4.521698
  H      -0.394499      4.406916      6.222719
  H      -1.031179      4.697911      7.844016
  H       1.031732      2.905449      7.263197
  H       0.015751      2.755095      8.705018
  H       1.246673      0.099582      4.531473
  H       1.081802      1.840363      4.844028
  H       0.262304     -0.462303      6.689253
  H       1.515220      0.759712      7.032562
  H      -2.937138     -0.604980      8.360695
  H      -1.762333     -1.115692      7.139376
  H      -1.846794      1.511777      8.733392
  H      -0.605814      0.238133      8.886227
  C      -3.360442      3.830066      7.419826
  C      -3.946460      5.140114      6.901987
  O      -4.746794      4.895568      5.721344
  C      -4.328250      5.374519      4.539911
  O      -3.240966      5.900350      4.341767
  C      -5.399540      5.207681      3.485898
  N      -6.643480      5.165865      3.941129
  C      -7.637343      5.072808      3.023638
  N      -7.506119      4.991468      1.713777
  C      -6.233634      5.013824      1.226972
  C      -6.047607      4.916114     -0.174839
  C      -4.779026      4.947959     -0.706900
  C      -3.653541      5.075636      0.140693
  C      -3.799308      5.172583      1.508450
  C      -5.092815      5.142229      2.092188
  C      -1.062665     -0.037340      3.367164
  C      -1.206910      0.707573      2.041137
  O      -2.239214      1.743314      1.970936
  C      -3.427370      1.583419      2.611589
  O      -3.446589      1.583249      3.914101
  C      -4.667355      1.584571      1.884752
  N      -5.763129      1.602420      2.680347
  C      -6.963854      1.569990      2.087309
  N      -7.229684      1.544007      0.786508
  C      -6.147203      1.549834     -0.044907
  C      -6.389321      1.553656     -1.441814
  C      -5.341278      1.555856     -2.336449
  C      -4.012878      1.556966     -1.861071
  C      -3.744490      1.562504     -0.503633
  C      -4.795663      1.560671      0.444608
  C      -4.294776     -0.265344      6.177350
  C      -5.383964     -0.117565      7.233267
  O      -5.920240      1.225365      7.272321
  C      -7.016684      1.430875      6.499452
  O      -7.482807      0.583450      5.760101
  C      -7.593933      2.812453      6.709001
  N      -6.976414      3.574354      7.602735
  C      -7.491662      4.805519      7.831449
  N      -8.549616      5.348637      7.263170
  C      -9.199116      4.584577      6.341254
  C     -10.343965      5.128548      5.706440
  C     -11.033708      4.386870      4.773072
  C     -10.604053      3.079735      4.441335
  C      -9.494150      2.520703      5.040392
  C      -8.757966      3.256844      6.007084
  H      -3.084150      3.975023      8.480707
  H      -4.150910      3.063850      7.390183
  H      -3.165778      5.877368      6.673117
  H      -4.646221      5.548136      7.643323
  H      -8.654057      5.068093      3.424088
  H      -6.935704      4.811820     -0.798272
  H      -4.636589      4.866701     -1.785026
  H      -2.654382      5.103268     -0.296973
  H      -2.928373      5.304434      2.144472
  H      -1.981851     -0.614451      3.559421
  H      -0.259791     -0.780059      3.214122
  H      -1.425232     -0.027257      1.247977
  H      -0.284073      1.244920      1.786616
  H      -7.823065      1.575653      2.764702
  H      -7.429181      1.563036     -1.768553
  H      -5.534581      1.557733     -3.410284
  H      -3.184605      1.561261     -2.571525
  H      -2.712828      1.590229     -0.166592
  H      -4.679455      0.102713      5.216769
  H      -4.085640     -1.346185      6.061676
  H      -6.193315     -0.827445      7.016356
  H      -5.005053     -0.291994      8.248436
  H      -6.967610      5.407993      8.580245
  H     -10.647630      6.138403      5.983871
  H     -11.914133      4.805681      4.283289
  H     -11.158407      2.505297      3.697788
  H      -9.175587      1.513849      4.785940
  N      -1.187799      3.704548      3.900540
  H      -1.638516      4.604985      4.097102
  H      -1.417226      3.430533      2.941381
  H      -0.175800      3.832740      3.949501
99
Coordinates from ORCA-job orca E -6652.851380658812
  N      -2.200845      3.396363      6.661503
  Mo     -2.172485      1.842277      5.426569
  N      -3.055949      0.448591      6.490940
  C      -2.288259     -0.216302      7.556204
  C      -1.295208      0.756372      8.170768
  N      -0.516761      1.453154      7.103978
  C       0.004321      2.773049      7.584496
  C      -0.907994      3.928962      7.089479
  C       0.539132      0.581921      6.517068
  C       0.607610      0.851095      5.013435
  N      -0.760931      0.814948      4.508359
  H      -0.415679      4.446387      6.251268
  H      -1.048276      4.679306      7.882866
  H       1.026964      2.909025      7.210328
  H       0.057083      2.748251      8.682517
  H       1.231438      0.091556      4.516523
  H       1.083354      1.833612      4.830027
  H       0.242193     -0.463192      6.672919
  H       1.504051      0.748715      7.020209
  H      -2.952167     -0.582438      8.356208
  H      -1.779577     -1.108146      7.139417
  H      -1.848796      1.529131      8.719957
  H      -0.612939      0.250712      8.874642
  C      -3.373024      3.825479      7.421833
  C      -3.959649      5.138433      6.912099
  O      -4.750347      4.899502      5.724604
  C      -4.319473      5.378486      4.547512
  O      -3.231751      5.907972      4.361937
  C      -5.375131      5.197456      3.480276
  N      -6.624275      5.144186      3.919613
  C      -7.604661      5.028190      2.990400
  N      -7.454810      4.929974      1.683597
  C      -6.176628      4.966383      1.212947
  C      -5.971238      4.853629     -0.185137
  C      -4.696540      4.900586     -0.701625
  C      -3.584411      5.061130      0.158211
  C      -3.749227      5.172338      1.522716
  C      -5.049222      5.123989      2.091179
  C      -1.076228     -0.010602      3.343464
  C      -1.212055      0.748823      2.024971
  O      -2.244813      1.786043      1.964147
  C      -3.432610      1.616543      2.603021
  O      -3.451522      1.615213      3.905632
  C      -4.671645      1.589387      1.875291
  N      -5.767796      1.589821      2.670917
  C      -6.967802      1.529967      2.078364
  N      -7.233252      1.493828      0.777938
  C      -6.151304      1.518133     -0.053938
  C      -6.394487      1.513675     -1.450617
  C      -5.346747      1.534685     -2.345642
  C      -4.018407      1.563456     -1.870821
  C      -3.749387      1.577375     -0.513543
  C      -4.799872      1.556940      0.435083
  C      -4.301747     -0.254876      6.158949
  C      -5.394342     -0.114792      7.212089
  O      -5.930479      1.227974      7.260745
  C      -7.032182      1.439515      6.496579
  O      -7.508036      0.595184      5.759818
  C      -7.609398      2.818208      6.723908
  N      -6.983936      3.572839      7.618289
  C      -7.497862      4.801565      7.862521
  N      -8.560572      5.349490      7.307862
  C      -9.218750      4.592929      6.385999
  C     -10.369145      5.142313      5.766097
  C     -11.068917      4.407621      4.834629
  C     -10.643914      3.102261      4.490141
  C      -9.528162      2.538540      5.073849
  C      -8.781215      3.267390      6.037789
  H      -3.102774      3.961431      8.485548
  H      -4.161510      3.057704      7.380475
  H      -3.180874      5.881354      6.695691
  H      -4.665881      5.536445      7.652825
  H      -8.626455      5.014856      3.377618
  H      -6.849344      4.727358     -0.818546
  H      -4.539208      4.808486     -1.776813
  H      -2.580523      5.103803     -0.267415
  H      -2.888974      5.331910      2.167104
  H      -2.000894     -0.581765      3.527679
  H      -0.279481     -0.758821      3.184768
  H      -1.427242      0.023261      1.222622
  H      -0.288038      1.289283      1.781748
  H      -7.826444      1.521989      2.756426
  H      -7.434766      1.498521     -1.776791
  H      -5.540026      1.529663     -3.419483
  H      -3.190957      1.583123     -2.582024
  H      -2.718629      1.628313     -0.176420
  H      -4.683978      0.118615      5.199382
  H      -4.091079     -1.334865      6.037888
  H      -6.202799     -0.823116      6.987070
  H      -5.018649     -0.297370      8.227099
  H      -6.968140      5.397962      8.612247
  H     -10.669075      6.150443      6.053746
  H     -11.953665      4.830575      4.356289
  H     -11.206496      2.532843      3.748892
  H      -9.213551      1.532989      4.809545
  N      -1.180445      3.727851      3.902680
  H      -1.626959      4.628504      4.105031
  H      -1.416826      3.459029      2.943927
  H      -0.167743      3.852970      3.947443
99
Coordinates from ORCA-job orca E -6652.851607715691
  N      -2.187507      3.396364      6.665701
  Mo     -2.168684      1.843263      5.429777
  N      -3.055351      0.455656      6.497823
  C      -2.287600     -0.201581      7.568609
  C      -1.285652      0.771093      8.169667
  N      -0.507757      1.452681      7.092385
  C       0.029926      2.770358      7.557305
  C      -0.895568      3.929533      7.094843
  C       0.538452      0.568820      6.506588
  C       0.602342      0.829430      5.001754
  N      -0.769217      0.804751      4.504086
  H      -0.416057      4.472452      6.265218
  H      -1.035949      4.658865      7.907556
  H       1.039708      2.903109      7.148764
  H       0.119611      2.744621      8.653107
  H       1.215727      0.060449      4.506221
  H       1.086702      1.805961      4.809214
  H       0.233716     -0.472898      6.670034
  H       1.506593      0.730898      7.005075
  H      -2.951346     -0.553888      8.374958
  H      -1.786244     -1.101571      7.160755
  H      -1.830644      1.553114      8.714379
  H      -0.602830      0.267520      8.874497
  C      -3.357540      3.821125      7.432152
  C      -3.942081      5.139795      6.935827
  O      -4.744919      4.911951      5.756168
  C      -4.317047      5.388705      4.577579
  O      -3.228400      5.915502      4.389187
  C      -5.377404      5.212789      3.515458
  N      -6.624178      5.144420      3.959953
  C      -7.607579      5.030596      3.033595
  N      -7.462106      4.950690      1.724590
  C      -6.186422      5.006149      1.249086
  C      -5.985256      4.916016     -0.151289
  C      -4.712133      4.979894     -0.671170
  C      -3.597951      5.138364      0.187096
  C      -3.759255      5.229549      1.553609
  C      -5.056734      5.160472      2.125200
  C      -1.097055     -0.020889      3.343940
  C      -1.228764      0.733295      2.022566
  O      -2.252244      1.780971      1.961323
  C      -3.438504      1.625089      2.607239
  O      -3.454086      1.623671      3.909337
  C      -4.677785      1.576139      1.882366
  N      -5.773523      1.572613      2.678595
  C      -6.972919      1.494958      2.086519
  N      -7.237539      1.444878      0.786451
  C      -6.156244      1.474158     -0.046213
  C      -6.398952      1.458426     -1.442595
  C      -5.350613      1.489977     -2.337262
  C      -4.023025      1.540763     -1.862055
  C      -3.754980      1.564203     -0.504756
  C      -4.805641      1.533104      0.442806
  C      -4.297639     -0.253410      6.164857
  C      -5.394983     -0.112828      7.213099
  O      -5.936875      1.227907      7.253370
  C      -7.041257      1.430824      6.489950
  O      -7.513332      0.581466      5.756332
  C      -7.613329      2.814606      6.696609
  N      -6.984883      3.580164      7.579605
  C      -7.491879      4.815767      7.802352
  N      -8.548797      5.361749      7.234525
  C      -9.210209      4.594115      6.324257
  C     -10.354259      5.141145      5.690878
  C     -11.058904      4.394117      4.772966
  C     -10.645700      3.077832      4.456746
  C      -9.535460      2.516615      5.053264
  C      -8.782381      3.258435      6.002284
  H      -3.083582      3.947197      8.496165
  H      -4.147769      3.055512      7.386598
  H      -3.162490      5.881448      6.718064
  H      -4.639406      5.535509      7.686121
  H      -8.627893      5.003325      3.424641
  H      -6.864313      4.793024     -0.784012
  H      -4.557877      4.905075     -1.748179
  H      -2.596060      5.196481     -0.241481
  H      -2.898530      5.389644      2.198864
  H      -2.027841     -0.580266      3.533182
  H      -0.309052     -0.778807      3.187508
  H      -1.452924      0.006864      1.223735
  H      -0.300793      1.265167      1.775705
  H      -7.831553      1.487569      2.764348
  H      -7.438893      1.424712     -1.769601
  H      -5.542897      1.476913     -3.411234
  H      -3.195860      1.569294     -2.573366
  H      -2.725394      1.632509     -0.166084
  H      -4.677539      0.115098      5.202348
  H      -4.083455     -1.333340      6.049161
  H      -6.199703     -0.825486      6.988444
  H      -5.022405     -0.290628      8.230211
  H      -6.962163      5.421555      8.544641
  H     -10.645932      6.157293      5.958265
  H     -11.939164      4.815089      4.284609
  H     -11.212900      2.497780      3.727299
  H      -9.230521      1.502565      4.810963
  N      -1.168837      3.725100      3.900224
  H      -1.616044      4.625946      4.103863
  H      -1.411778      3.453981      2.943986
  H      -0.156146      3.852873      3.939924
99
Coordinates from ORCA-job orca E -6652.850065409719
  N      -2.160130      3.397856      6.714810
  Mo     -2.166071      1.864426      5.450381
  N      -3.042464      0.462774      6.509689
  C      -2.267749     -0.202855      7.572523
  C      -1.247548      0.757575      8.162085
  N      -0.485914      1.438694      7.072364
  C       0.079426      2.744959      7.538323
  C      -0.858142      3.918081      7.132200
  C       0.540769      0.548251      6.460661
  C       0.591054      0.833533      4.960975
  N      -0.787407      0.838461      4.475820
  H      -0.392149      4.483464      6.310602
  H      -0.979179      4.620009      7.971608
  H       1.070711      2.878720      7.086964
  H       0.217917      2.697850      8.628488
  H       1.185094      0.062873      4.444860
  H       1.088065      1.805454      4.777555
  H       0.223112     -0.491292      6.612534
  H       1.516838      0.690047      6.950479
  H      -2.926697     -0.549709      8.385024
  H      -1.779732     -1.106484      7.156905
  H      -1.774555      1.541679      8.721383
  H      -0.555456      0.243448      8.850182
  C      -3.313498      3.825908      7.503977
  C      -3.895234      5.151206      7.022364
  O      -4.716295      4.929835      5.853318
  C      -4.292483      5.390541      4.667055
  O      -3.197268      5.898828      4.464728
  C      -5.364845      5.219493      3.615643
  N      -6.610482      5.186192      4.068830
  C      -7.601310      5.072239      3.150235
  N      -7.465473      4.949666      1.843251
  C      -6.191888      4.965669      1.360480
  C      -5.997367      4.825837     -0.036948
  C      -4.725320      4.850455     -0.562704
  C      -3.605415      5.021185      0.285512
  C      -3.760019      5.160798      1.648188
  C      -5.055308      5.127689      2.226552
  C      -1.139266      0.043899      3.298471
  C      -1.287727      0.836204      2.001988
  O      -2.317748      1.878449      1.982227
  C      -3.490694      1.702482      2.649576
  O      -3.473208      1.689341      3.951876
  C      -4.743289      1.642714      1.950499
  N      -5.822349      1.633606      2.767327
  C      -7.032122      1.542912      2.198632
  N      -7.320029      1.468875      0.904170
  C      -6.255237      1.501557      0.050753
  C      -6.522785      1.448891     -1.340395
  C      -5.491324      1.484516     -2.254589
  C      -4.157041      1.573291     -1.804901
  C      -3.864550      1.624526     -0.453183
  C      -4.896466      1.589953      0.513951
  C      -4.279232     -0.254045      6.175658
  C      -5.382628     -0.108100      7.216296
  O      -5.933051      1.228942      7.227174
  C      -7.034260      1.401821      6.452911
  O      -7.485489      0.534001      5.728101
  C      -7.598135      2.797479      6.587291
  N      -6.995941      3.588546      7.465545
  C      -7.496385      4.837133      7.621584
  N      -8.522893      5.372303      6.991442
  C      -9.156624      4.578221      6.083641
  C     -10.266146      5.113588      5.382960
  C     -10.941093      4.340157      4.464052
  C     -10.530714      3.008856      4.213565
  C      -9.453267      2.458455      4.876686
  C      -8.732182      3.226739      5.829389
  H      -3.022012      3.943493      8.564244
  H      -4.111010      3.067480      7.464823
  H      -3.114208      5.887759      6.794186
  H      -4.579405      5.550609      7.783552
  H      -8.619861      5.080916      3.546134
  H      -6.881022      4.697336     -0.662286
  H      -4.575400      4.735349     -1.636872
  H      -2.604422      5.050366     -0.148377
  H      -2.896200      5.333954      2.284466
  H      -2.071571     -0.513360      3.488268
  H      -0.359920     -0.715097      3.109096
  H      -1.512547      0.133559      1.181817
  H      -0.364002      1.379693      1.762967
  H      -7.879770      1.533048      2.890033
  H      -7.567259      1.383128     -1.648404
  H      -5.702964      1.445660     -3.324361
  H      -3.343350      1.604373     -2.531551
  H      -2.830028      1.715737     -0.135376
  H      -4.654969      0.104796      5.207795
  H      -4.060605     -1.334499      6.070709
  H      -6.182816     -0.828421      6.999717
  H      -5.014141     -0.269089      8.237767
  H      -6.988411      5.465108      8.360779
  H     -10.556316      6.142102      5.600157
  H     -11.794920      4.752091      3.923710
  H     -11.073980      2.408822      3.481965
  H      -9.149754      1.433293      4.684512
  N      -1.153124      3.774714      3.942045
  H      -1.581740      4.680181      4.167914
  H      -1.420237      3.522445      2.986485
  H      -0.137856      3.879657      3.964115
99
Coordinates from ORCA-job orca E -6652.851820121508
  N      -2.205375      3.399531      6.685303
  Mo     -2.178254      1.860716      5.428709
  N      -3.063817      0.461849      6.482821
  C      -2.301236     -0.194910      7.558487
  C      -1.294603      0.775472      8.156250
  N      -0.521295      1.454799      7.073569
  C       0.029887      2.767538      7.537977
  C      -0.916457      3.932101      7.126080
  C       0.519489      0.565674      6.484540
  C       0.590658      0.840453      4.983477
  N      -0.780465      0.835126      4.481391
  H      -0.445728      4.510338      6.315776
  H      -1.060758      4.626984      7.967527
  H       1.021390      2.908625      7.089597
  H       0.166101      2.724762      8.628699
  H       1.195738      0.068987      4.481699
  H       1.086571      1.813111      4.800883
  H       0.204145     -0.474269      6.638358
  H       1.486842      0.715304      6.988837
  H      -2.968977     -0.539481      8.364773
  H      -1.804060     -1.099146      7.155109
  H      -1.833995      1.559459      8.703735
  H      -0.609064      0.269827      8.856890
  C      -3.379872      3.819510      7.447695
  C      -3.967126      5.138292      6.952538
  O      -4.758476      4.908551      5.763949
  C      -4.318153      5.380021      4.587423
  O      -3.233313      5.919039      4.411489
  C      -5.363808      5.186666      3.512130
  N      -6.616376      5.115098      3.940568
  C      -7.586078      4.980062      3.002955
  N      -7.422798      4.872363      1.698200
  C      -6.141585      4.928132      1.239233
  C      -5.919974      4.808944     -0.156024
  C      -4.641197      4.876994     -0.660049
  C      -3.540999      5.068317      0.209045
  C      -3.721645      5.187309      1.570600
  C      -5.025538      5.114249      2.127059
  C      -1.109133      0.037856      3.299680
  C      -1.237990      0.827312      1.999103
  O      -2.272981      1.864217      1.961141
  C      -3.455416      1.677283      2.606781
  O      -3.463036      1.672455      3.908852
  C      -4.695760      1.600048      1.886103
  N      -5.787605      1.572397      2.686300
  C      -6.987023      1.462325      2.099459
  N      -7.254648      1.390126      0.800765
  C      -6.177731      1.443078     -0.036263
  C      -6.424785      1.396247     -1.431500
  C      -5.381249      1.448574     -2.330654
  C      -4.054558      1.549650     -1.861650
  C      -3.781925      1.598848     -0.505803
  C      -4.827141      1.546969      0.446874
  C      -4.301397     -0.249320      6.140158
  C      -5.402415     -0.122688      7.186131
  O      -5.938905      1.218926      7.246041
  C      -7.044914      1.434710      6.489616
  O      -7.516589      0.600157      5.739244
  C      -7.612946      2.817095      6.716417
  N      -6.992520      3.561830      7.622253
  C      -7.497136      4.795018      7.863515
  N      -8.544952      5.356444      7.294542
  C      -9.198492      4.609833      6.361204
  C     -10.331920      5.174535      5.724502
  C     -11.026282      4.450010      4.780784
  C     -10.612732      3.139664      4.441420
  C      -9.512902      2.561543      5.041146
  C      -8.770899      3.279857      6.016373
  H      -3.112738      3.940978      8.513968
  H      -4.168551      3.052830      7.392461
  H      -3.190341      5.885103      6.743506
  H      -4.673328      5.527473      7.698315
  H      -8.611432      4.956283      3.379796
  H      -6.789076      4.662617     -0.797588
  H      -4.470825      4.779112     -1.732778
  H      -2.534163      5.130107     -0.207362
  H      -2.872870      5.373984      2.222381
  H      -2.042308     -0.523145      3.473444
  H      -0.323974     -0.718801      3.124762
  H      -1.448042      0.121995      1.177487
  H      -0.313316      1.374729      1.773730
  H      -7.843345      1.428741      2.779694
  H      -7.463805      1.321487     -1.754135
  H      -5.577110      1.413234     -3.403493
  H      -3.231315      1.595168     -2.576586
  H      -2.753749      1.703190     -0.173268
  H      -4.678700      0.127426      5.179661
  H      -4.083445     -1.327729      6.015938
  H      -6.209050     -0.828914      6.948203
  H      -5.033934     -0.317914      8.201527
  H      -6.971988      5.384259      8.622078
  H     -10.623654      6.185849      6.009473
  H     -11.898029      4.884779      4.289309
  H     -11.171579      2.578074      3.691383
  H      -9.206699      1.552475      4.780107
  N      -1.155277      3.765624      3.926287
  H      -1.594608      4.668124      4.138446
  H      -1.403217      3.505160      2.967869
  H      -0.141461      3.880176      3.965181
99
Coordinates from ORCA-job orca E -6652.851361248338
  N      -2.175848      3.398590      6.675138
  Mo     -2.161285      1.847775      5.433220
  N      -3.061016      0.472857      6.506306
  C      -2.305075     -0.167388      7.597050
  C      -1.285712      0.803995      8.174090
  N      -0.503164      1.450854      7.077536
  C       0.066268      2.765044      7.510252
  C      -0.889423      3.930951      7.124338
  C       0.525162      0.536673      6.504014
  C       0.593858      0.778445      4.995169
  N      -0.779385      0.784020      4.502182
  H      -0.429687      4.536649      6.326494
  H      -1.041489      4.605813      7.980425
  H       1.042249      2.897081      7.026818
  H       0.241153      2.733095      8.596038
  H       1.186221     -0.012566      4.508821
  H       1.105233      1.738689      4.790377
  H       0.195829     -0.495552      6.679152
  H       1.495303      0.682332      7.003387
  H      -2.974772     -0.485823      8.412441
  H      -1.819796     -1.087287      7.215037
  H      -1.814752      1.605551      8.705973
  H      -0.605772      0.305165      8.884639
  C      -3.354293      3.819957      7.434386
  C      -3.936249      5.147180      6.953526
  O      -4.746250      4.937836      5.775661
  C      -4.319127      5.411635      4.595186
  O      -3.231678      5.939362      4.404594
  C      -5.375006      5.213847      3.531543
  N      -6.619772      5.118646      3.976402
  C      -7.601076      4.980525      3.052154
  N      -7.455314      4.901615      1.743307
  C      -6.182245      4.988736      1.265617
  C      -5.984694      4.912285     -0.136161
  C      -4.717117      5.019968     -0.661210
  C      -3.603801      5.203375      0.193675
  C      -3.760623      5.276974      1.562006
  C      -5.054370      5.171087      2.139219
  C      -1.116776     -0.024933      3.333314
  C      -1.228324      0.739931      2.016354
  O      -2.241303      1.799780      1.959804
  C      -3.428490      1.642766      2.602344
  O      -3.453186      1.655954      3.903032
  C      -4.665689      1.564003      1.873874
  N      -5.762820      1.549554      2.669351
  C      -6.960351      1.446623      2.077579
  N      -7.223528      1.388539      0.777917
  C      -6.142511      1.431376     -0.054392
  C      -6.385619      1.412997     -1.450724
  C      -5.338333      1.460932     -2.345614
  C      -4.011381      1.533289     -1.871199
  C      -3.743104      1.562717     -0.514395
  C      -4.792995      1.512102      0.434086
  C      -4.296481     -0.244616      6.162772
  C      -5.407717     -0.105743      7.196564
  O      -5.947358      1.235730      7.228696
  C      -7.046025      1.443015      6.458583
  O      -7.537488      0.584948      5.748194
  C      -7.626415      2.820329      6.683934
  N      -6.990553      3.586202      7.561489
  C      -7.495732      4.821462      7.788343
  N      -8.553801      5.369945      7.224813
  C      -9.223068      4.601542      6.321086
  C     -10.367164      5.151376      5.690074
  C     -11.081149      4.402934      4.780889
  C     -10.679109      3.081337      4.472795
  C      -9.567854      2.518081      5.065363
  C      -8.803351      3.262868      6.002634
  H      -3.088362      3.931070      8.502125
  H      -4.145750      3.056753      7.373110
  H      -3.155226      5.890008      6.743945
  H      -4.629547      5.533908      7.711497
  H      -8.620420      4.934320      3.443842
  H      -6.862631      4.770425     -0.766478
  H      -4.566965      4.960114     -1.739616
  H      -2.606159      5.294509     -0.238776
  H      -2.900529      5.450772      2.204996
  H      -2.059378     -0.568179      3.510832
  H      -0.343629     -0.798039      3.175886
  H      -1.460262      0.022970      1.211768
  H      -0.294030      1.264082      1.778234
  H      -7.817448      1.425963      2.757302
  H      -7.424875      1.361566     -1.777033
  H      -5.530385      1.444220     -3.419478
  H      -3.185803      1.579668     -2.583276
  H      -2.715816      1.655300     -0.176152
  H      -4.667267      0.119068      5.194638
  H      -4.075290     -1.323574      6.052636
  H      -6.207777     -0.818749      6.957266
  H      -5.051522     -0.284220      8.219302
  H      -6.961527      5.426287      8.528048
  H     -10.651380      6.170719      5.952886
  H     -11.961339      4.826140      4.294572
  H     -11.254551      2.498978      3.751852
  H      -9.269886      1.501078      4.826739
  N      -1.122589      3.733628      3.892107
  H      -1.564928      4.636487      4.090312
  H      -1.368442      3.457616      2.938463
  H      -0.109206      3.857953      3.931718
99
Coordinates from ORCA-job orca E -6652.851929997403
  N      -2.166944      3.400765      6.694822
  Mo     -2.161824      1.859603      5.440364
  N      -3.061087      0.479628      6.505994
  C      -2.307022     -0.161841      7.596561
  C      -1.279237      0.804334      8.165508
  N      -0.504679      1.445045      7.060348
  C       0.084256      2.751484      7.489724
  C      -0.876449      3.925111      7.139450
  C       0.512327      0.523121      6.479556
  C       0.582479      0.778142      4.974909
  N      -0.790958      0.803854      4.482889
  H      -0.421355      4.543893      6.349670
  H      -1.017955      4.580759      8.012033
  H       1.045546      2.882661      6.977295
  H       0.292232      2.707484      8.569327
  H       1.163447     -0.016043      4.480117
  H       1.104414      1.734100      4.776889
  H       0.171409     -0.506444      6.647700
  H       1.484535      0.655076      6.979341
  H      -2.977701     -0.472308      8.414112
  H      -1.828875     -1.085812      7.215699
  H      -1.798644      1.609572      8.701276
  H      -0.595311      0.301836      8.869741
  C      -3.338960      3.829962      7.455880
  C      -3.911839      5.157517      6.968120
  O      -4.715625      4.942392      5.786744
  C      -4.276641      5.403214      4.605664
  O      -3.184930      5.923727      4.418557
  C      -5.332183      5.214574      3.539736
  N      -6.578519      5.121910      3.981528
  C      -7.557616      4.985317      3.054485
  N      -7.408383      4.899707      1.746178
  C      -6.133798      4.983961      1.272602
  C      -5.929006      4.898355     -0.127729
  C      -4.658503      5.001022     -0.646932
  C      -3.549475      5.190135      0.212120
  C      -3.713481      5.273651      1.578596
  C      -5.009116      5.168895      2.149776
  C      -1.139610      0.016614      3.301672
  C      -1.253907      0.808938      2.002170
  O      -2.274146      1.861655      1.969711
  C      -3.454375      1.685476      2.621698
  O      -3.460369      1.696329      3.922636
  C      -4.696749      1.596133      1.905203
  N      -5.787180      1.578423      2.707975
  C      -6.987676      1.462813      2.124612
  N      -7.258252      1.385190      0.827025
  C      -6.183064      1.428814     -0.012577
  C      -6.433084      1.379902     -1.407170
  C      -5.390937      1.425490     -2.308324
  C      -4.062748      1.524002     -1.842251
  C      -3.787590      1.578024     -0.487430
  C      -4.831478      1.531013      0.467159
  C      -4.293330     -0.239277      6.158866
  C      -5.407556     -0.103552      7.189922
  O      -5.953788      1.235051      7.219086
  C      -7.065253      1.424549      6.463391
  O      -7.549059      0.560517      5.755194
  C      -7.641845      2.808056      6.661015
  N      -7.009978      3.584962      7.531282
  C      -7.516034      4.823267      7.739962
  N      -8.573158      5.363192      7.166920
  C      -9.239332      4.582907      6.270840
  C     -10.384067      5.122637      5.632591
  C     -11.095330      4.361933      4.731071
  C     -10.687908      3.038918      4.436381
  C      -9.575557      2.485500      5.036285
  C      -8.815857      3.241433      5.968593
  H      -3.071374      3.943325      8.522884
  H      -4.135568      3.071895      7.396439
  H      -3.127253      5.895742      6.756952
  H      -4.607491      5.551877      7.720617
  H      -8.577732      4.937667      3.443631
  H      -6.804072      4.752829     -0.761336
  H      -4.501890      4.932598     -1.724013
  H      -2.549571      5.278724     -0.215906
  H      -2.858391      5.455867      2.225016
  H      -2.084831     -0.523964      3.475112
  H      -0.372209     -0.757736      3.125184
  H      -1.477684      0.109146      1.179766
  H      -0.321790      1.343442      1.777502
  H      -7.841850      1.443025      2.807624
  H      -7.473086      1.307778     -1.727737
  H      -5.588681      1.386981     -3.380669
  H      -3.241134      1.567647     -2.559151
  H      -2.759139      1.686262     -0.156651
  H      -4.661470      0.123242      5.189284
  H      -4.069678     -1.318199      6.050646
  H      -6.205765     -0.819168      6.951805
  H      -5.051568     -0.280891      8.212983
  H      -6.983725      5.438018      8.472956
  H     -10.671692      6.143956      5.883990
  H     -11.976263      4.777276      4.239199
  H     -11.260597      2.447768      3.720308
  H      -9.274279      1.466828      4.809671
  N      -1.112768      3.746710      3.926292
  H      -1.544246      4.653845      4.132813
  H      -1.369721      3.479239      2.972607
  H      -0.097903      3.854875      3.959648
99
Coordinates from ORCA-job orca E -6652.851072812813
  N      -2.252901      3.399082      6.717358
  Mo     -2.209303      1.867618      5.451026
  N      -3.072967      0.454389      6.502949
  C      -2.301627     -0.185209      7.584988
  C      -1.293902      0.795886      8.165732
  N      -0.538963      1.472732      7.066999
  C       0.016526      2.788833      7.511675
  C      -0.977547      3.943446      7.185164
  C       0.501737      0.585003      6.473254
  C       0.561780      0.855357      4.971042
  N      -0.814488      0.853972      4.481122
  H      -0.528152      4.589028      6.414306
  H      -1.141016      4.573814      8.072364
  H       0.967677      2.953177      6.989709
  H       0.238828      2.734717      8.588113
  H       1.158419      0.079011      4.466731
  H       1.060659      1.824589      4.778930
  H       0.190503     -0.455096      6.633308
  H       1.471377      0.740061      6.971867
  H      -2.964726     -0.521200      8.398614
  H      -1.802918     -1.092490      7.190763
  H      -1.828825      1.580294      8.716743
  H      -0.596067      0.297314      8.859180
  C      -3.448922      3.824387      7.442999
  C      -4.022664      5.139772      6.920150
  O      -4.784767      4.898659      5.713502
  C      -4.309506      5.344104      4.539387
  O      -3.217197      5.874532      4.384710
  C      -5.331998      5.146438      3.440794
  N      -6.591698      5.054617      3.845449
  C      -7.542885      4.916443      2.889865
  N      -7.356952      4.828902      1.586896
  C      -6.069522      4.906241      1.150416
  C      -5.823669      4.808161     -0.242186
  C      -4.537673      4.896452     -0.723693
  C      -3.454029      5.087787      0.165531
  C      -3.658247      5.187562      1.525331
  C      -4.970178      5.093095      2.059906
  C      -1.147394      0.072709      3.288700
  C      -1.284450      0.879487      1.999199
  O      -2.323520      1.913195      1.983666
  C      -3.500349      1.702744      2.632083
  O      -3.503146      1.694106      3.933128
  C      -4.743688      1.594173      1.919366
  N      -5.826708      1.530182      2.729323
  C      -7.028942      1.394837      2.153680
  N      -7.307160      1.328270      0.856857
  C      -6.239975      1.416052      0.009868
  C      -6.500196      1.376358     -1.382952
  C      -5.467617      1.467766     -2.291913
  C      -4.139780      1.602714     -1.835606
  C      -3.854067      1.644263     -0.482045
  C      -4.887179      1.551457      0.480496
  C      -4.293873     -0.281986      6.156074
  C      -5.394810     -0.196580      7.205621
  O      -5.939852      1.138289      7.305364
  C      -7.043026      1.372215      6.550634
  O      -7.482103      0.575851      5.741100
  C      -7.587562      2.762984      6.779341
  N      -6.983532      3.480326      7.717731
  C      -7.468761      4.721256      7.958910
  N      -8.480866      5.315249      7.359387
  C      -9.117369      4.596785      6.392615
  C     -10.210873      5.197688      5.720500
  C     -10.885341      4.502672      4.740593
  C     -10.491826      3.186442      4.400335
  C      -9.430588      2.573331      5.034069
  C      -8.708639      3.261508      6.045330
  H      -3.213121      3.951084      8.516015
  H      -4.237134      3.058485      7.367709
  H      -3.240538      5.884273      6.723175
  H      -4.746874      5.537607      7.643990
  H      -8.574265      4.877537      3.248167
  H      -6.680280      4.660370     -0.900102
  H      -4.348195      4.815359     -1.794756
  H      -2.441220      5.163353     -0.233623
  H      -2.822622      5.369512      2.193178
  H      -2.079589     -0.491517      3.458642
  H      -0.362452     -0.681109      3.101531
  H      -1.497091      0.185023      1.168997
  H      -0.362657      1.432686      1.775962
  H      -7.878371      1.332981      2.841264
  H      -7.539788      1.275075     -1.696613
  H      -5.673822      1.438108     -3.363003
  H      -3.326133      1.681158     -2.558618
  H      -2.826280      1.777021     -0.158915
  H      -4.682707      0.099784      5.202008
  H      -4.052021     -1.353570      6.016362
  H      -6.195708     -0.901667      6.945887
  H      -5.025240     -0.420104      8.214839
  H      -6.958158      5.287787      8.744168
  H     -10.488482      6.212360      6.007628
  H     -11.726232      4.965341      4.221631
  H     -11.035304      2.648551      3.622162
  H      -9.137787      1.561004      4.769875
  N      -1.184209      3.807986      3.957163
  H      -1.641037      4.698536      4.178960
  H      -1.428891      3.553378      2.996391
  H      -0.172911      3.941658      3.997104
99
Coordinates from ORCA-job orca E -6652.852210362471
  N      -2.189354      3.401695      6.701297
  Mo     -2.173221      1.866731      5.436338
  N      -3.071381      0.481198      6.496221
  C      -2.320001     -0.158389      7.592333
  C      -1.288623      0.806815      8.159081
  N      -0.518524      1.447826      7.049226
  C       0.074834      2.753830      7.472941
  C      -0.905373      3.926207      7.167625
  C       0.499419      0.525312      6.468497
  C       0.572032      0.781416      4.964349
  N      -0.801887      0.815225      4.470355
  H      -0.455231      4.581457      6.404728
  H      -1.058116      4.543501      8.065904
  H       1.015133      2.895691      6.925503
  H       0.324182      2.700233      8.543574
  H       1.148255     -0.016100      4.469421
  H       1.099628      1.734200      4.766051
  H       0.157406     -0.503931      6.636034
  H       1.470753      0.656925      6.970410
  H      -2.993507     -0.462868      8.409788
  H      -1.844136     -1.085315      7.215965
  H      -1.803848      1.612506      8.698111
  H      -0.602028      0.302488      8.859402
  C      -3.370153      3.828479      7.451803
  C      -3.946590      5.156177      6.965646
  O      -4.750126      4.941362      5.783523
  C      -4.317804      5.418190      4.606585
  O      -3.239056      5.968846      4.430064
  C      -5.356715      5.198428      3.529380
  N      -6.607758      5.086110      3.954436
  C      -7.570511      4.922777      3.014711
  N      -7.401234      4.823783      1.709761
  C      -6.121733      4.923087      1.253779
  C      -5.893593      4.817849     -0.141465
  C      -4.616762      4.932329     -0.642364
  C      -3.524852      5.156062      0.230003
  C      -3.711822      5.259923      1.591975
  C      -5.013939      5.141622      2.144885
  C      -1.148614      0.041501      3.278256
  C      -1.259208      0.849449      1.987884
  O      -2.280766      1.901495      1.965960
  C      -3.461681      1.712683      2.613495
  O      -3.468634      1.719290      3.914417
  C      -4.701575      1.607359      1.893921
  N      -5.792491      1.559954      2.694186
  C      -6.988909      1.417080      2.108052
  N      -7.254330      1.329787      0.809843
  C      -6.179039      1.403166     -0.027683
  C      -6.423828      1.336705     -1.422505
  C      -5.380913      1.408911     -2.321239
  C      -4.057665      1.549632     -1.852537
  C      -3.787174      1.616151     -0.497176
  C      -4.831481      1.543882      0.455103
  C      -4.299779     -0.241401      6.144269
  C      -5.413678     -0.122642      7.177212
  O      -5.952735      1.217652      7.233954
  C      -7.062371      1.427929      6.481394
  O      -7.542548      0.585014      5.745653
  C      -7.627098      2.813423      6.696934
  N      -6.996022      3.570201      7.585348
  C      -7.494060      4.808954      7.811021
  N      -8.541629      5.367143      7.238286
  C      -9.206954      4.607647      6.323832
  C     -10.341325      5.167754      5.684882
  C     -11.050633      4.428243      4.764232
  C     -10.652450      3.106429      4.451988
  C      -9.550834      2.533073      5.053063
  C      -8.791729      3.267905      6.002498
  H      -3.111781      3.938272      8.521464
  H      -4.164708      3.068581      7.383492
  H      -3.164951      5.898118      6.757006
  H      -4.644436      5.546864      7.718227
  H      -8.595528      4.865675      3.388837
  H      -6.756010      4.646386     -0.785878
  H      -4.441513      4.847952     -1.715561
  H      -2.519848      5.253311     -0.184086
  H      -2.870858      5.465771      2.248450
  H      -2.095460     -0.499361      3.443285
  H      -0.382083     -0.732172      3.095587
  H      -1.478743      0.159418      1.155901
  H      -0.326372      1.386774      1.772511
  H      -7.843877      1.364614      2.788690
  H      -7.459985      1.228634     -1.745790
  H      -5.574722      1.357933     -3.393824
  H      -3.235745      1.612452     -2.567686
  H      -2.762644      1.752217     -0.164515
  H      -4.670798      0.129848      5.178963
  H      -4.071145     -1.318304      6.025068
  H      -6.215114     -0.829500      6.924126
  H      -5.059044     -0.323234      8.196481
  H      -6.963565      5.406623      8.559167
  H     -10.622584      6.187211      5.950738
  H     -11.923511      4.859280      4.271454
  H     -11.224380      2.532174      3.721644
  H      -9.255748      1.515845      4.812050
  N      -1.093985      3.773798      3.932765
  H      -1.530326      4.678798      4.139496
  H      -1.342373      3.510428      2.975459
  H      -0.079884      3.883422      3.975684
99
Coordinates from ORCA-job orca E -6652.852236530687
  N      -2.181906      3.396006      6.718605
  Mo     -2.172137      1.858797      5.458958
  N      -3.058151      0.474961      6.528983
  C      -2.299711     -0.149162      7.627707
  C      -1.264594      0.822706      8.175395
  N      -0.504833      1.452027      7.052846
  C       0.093973      2.760372      7.455423
  C      -0.901342      3.926580      7.183829
  C       0.506965      0.524514      6.470172
  C       0.566102      0.768050      4.963249
  N      -0.811139      0.802606      4.483766
  H      -0.466047      4.604281      6.431206
  H      -1.055429      4.523385      8.095622
  H       1.014633      2.905881      6.876468
  H       0.379483      2.710458      8.517284
  H       1.135019     -0.035820      4.470033
  H       1.095424      1.716859      4.751248
  H       0.165879     -0.503071      6.649293
  H       1.482726      0.659421      6.962307
  H      -2.967180     -0.443879      8.453522
  H      -1.825665     -1.080394      7.259775
  H      -1.774689      1.633203      8.712024
  H      -0.571238      0.325196      8.873691
  C      -3.367441      3.829025      7.456117
  C      -3.932861      5.154216      6.954222
  O      -4.724063      4.932714      5.765943
  C      -4.264840      5.374759      4.585163
  O      -3.165111      5.881420      4.407468
  C      -5.311727      5.195249      3.509542
  N      -6.560919      5.091412      3.941146
  C      -7.533582      4.970414      3.005573
  N      -7.376709      4.921342      1.696175
  C      -6.099473      5.018437      1.232189
  C      -5.886385      4.972679     -0.168513
  C      -4.611823      5.082777     -0.676457
  C      -3.506517      5.238589      0.194249
  C      -3.678926      5.285539      1.561619
  C      -4.979433      5.175836      2.120931
  C      -1.168112      0.022830      3.300730
  C      -1.287141      0.821272      2.005521
  O      -2.303525      1.878175      1.987990
  C      -3.479449      1.693969      2.645078
  O      -3.482636      1.705939      3.944892
  C      -4.724403      1.585447      1.934472
  N      -5.809531      1.545920      2.743408
  C      -7.011171      1.410443      2.166990
  N      -7.287875      1.332252      0.870788
  C      -6.218552      1.395662      0.024824
  C      -6.475710      1.345495     -1.368193
  C      -5.439578      1.413306     -2.275089
  C      -4.110941      1.537436     -1.816717
  C      -3.828906      1.593233     -0.463477
  C      -4.866149      1.522362      0.496828
  C      -4.278576     -0.262359      6.179141
  C      -5.404790     -0.131365      7.197528
  O      -5.947265      1.208889      7.225747
  C      -7.040044      1.410786      6.446125
  O      -7.526710      0.547376      5.738857
  C      -7.621504      2.790377      6.654184
  N      -6.995845      3.560413      7.535134
  C      -7.501816      4.797974      7.747911
  N      -8.552381      5.343905      7.168562
  C      -9.211609      4.571257      6.260862
  C     -10.348313      5.118309      5.614696
  C     -11.052639      4.365372      4.701403
  C     -10.645889      3.043211      4.402247
  C      -9.540653      2.483031      5.008997
  C      -8.788547      3.230639      5.954150
  H      -3.118170      3.945887      8.527136
  H      -4.163379      3.070866      7.385812
  H      -3.144984      5.889936      6.746372
  H      -4.635512      5.554970      7.696579
  H      -8.555529      4.906142      3.387771
  H      -6.757860      4.848592     -0.811572
  H      -4.448776      5.044680     -1.754112
  H      -2.503284      5.329402     -0.225247
  H      -2.826565      5.437597      2.219888
  H      -2.114263     -0.515539      3.475976
  H      -0.403831     -0.753200      3.118210
  H      -1.519977      0.126609      1.181450
  H      -0.354693      1.353232      1.776812
  H      -7.860978      1.375545      2.854864
  H      -7.515830      1.254128     -1.683738
  H      -5.642947      1.373452     -3.346305
  H      -3.294832      1.600149     -2.538436
  H      -2.801279      1.723002     -0.138210
  H      -4.643336      0.089313      5.204187
  H      -4.041768     -1.339416      6.079890
  H      -6.200745     -0.843872      6.943375
  H      -5.063236     -0.316408      8.224099
  H      -6.976146      5.406247      8.490963
  H     -10.635653      6.138752      5.869806
  H     -11.927593      4.786216      4.203632
  H     -11.213149      2.458341      3.676791
  H      -9.239205      1.465474      4.777843
  N      -1.118281      3.764385      3.944088
  H      -1.564722      4.663344      4.153329
  H      -1.372283      3.497257      2.989785
  H      -0.105377      3.889846      3.978227
99
Coordinates from ORCA-job orca E -6652.852796402407
  N      -2.183734      3.398710      6.724028
  Mo     -2.173897      1.866498      5.456115
  N      -3.067236      0.484818      6.523315
  C      -2.315597     -0.135385      7.630140
  C      -1.272056      0.833322      8.170116
  N      -0.513083      1.450551      7.039354
  C       0.101312      2.755652      7.429497
  C      -0.904779      3.923835      7.202111
  C       0.491186      0.510952      6.461243
  C       0.556180      0.753182      4.954382
  N      -0.820430      0.804727      4.472760
  H      -0.476993      4.632079      6.473398
  H      -1.061685      4.486683      8.134876
  H       0.998398      2.903147      6.815257
  H       0.429225      2.698604      8.478948
  H       1.115420     -0.058594      4.463036
  H       1.098487      1.694748      4.742404
  H       0.137686     -0.512365      6.640491
  H       1.466559      0.636001      6.956906
  H      -2.987324     -0.415679      8.457653
  H      -1.849591     -1.074581      7.272262
  H      -1.774049      1.650742      8.703847
  H      -0.578758      0.335461      8.868141
  C      -3.372822      3.831492      7.457482
  C      -3.936909      5.160572      6.961761
  O      -4.728900      4.944786      5.772485
  C      -4.276927      5.401647      4.594643
  O      -3.189169      5.935349      4.422590
  C      -5.313768      5.193029      3.513562
  N      -6.563406      5.067325      3.938208
  C      -7.526696      4.910872      2.998359
  N      -7.359597      4.839467      1.691365
  C      -6.081765      4.956865      1.234460
  C      -5.858014      4.886576     -0.163709
  C      -4.583624      5.019493     -0.666075
  C      -3.489056      5.224338      0.207900
  C      -3.671540      5.294180      1.572795
  C      -4.972158      5.160414      2.127153
  C      -1.180519      0.043315      3.277581
  C      -1.289118      0.860147      1.992946
  O      -2.305455      1.917909      1.986294
  C      -3.481636      1.722689      2.640329
  O      -3.483980      1.737102      3.940358
  C      -4.724779      1.599355      1.928231
  N      -5.809667      1.542962      2.736182
  C      -7.008789      1.389176      2.158820
  N      -7.283320      1.305911      0.862469
  C      -6.214994      1.389244      0.017230
  C      -6.470913      1.335734     -1.376095
  C      -5.435845      1.422831     -2.282400
  C      -4.109780      1.570350     -1.823329
  C      -3.828939      1.629060     -0.469959
  C      -4.864857      1.537592      0.490207
  C      -4.286101     -0.253051      6.169694
  C      -5.409691     -0.136261      7.192752
  O      -5.958795      1.200652      7.235610
  C      -7.069358      1.398515      6.480656
  O      -7.549131      0.545396      5.756512
  C      -7.633497      2.787244      6.676358
  N      -7.000290      3.556794      7.552139
  C      -7.493067      4.801334      7.755384
  N      -8.534958      5.355646      7.168594
  C      -9.202434      4.583050      6.266866
  C     -10.330687      5.138633      5.613164
  C     -11.043779      4.385742      4.706566
  C     -10.655566      3.054525      4.423298
  C      -9.559006      2.485814      5.037844
  C      -8.795983      3.234422      5.973354
  H      -3.128229      3.941392      8.530422
  H      -4.169637      3.074905      7.379223
  H      -3.149418      5.897882      6.758599
  H      -4.639613      5.556948      7.706544
  H      -8.550144      4.835146      3.374037
  H      -6.721761      4.727047     -0.809399
  H      -4.412484      4.963372     -1.741713
  H      -2.485980      5.335337     -0.207243
  H      -2.828412      5.484455      2.231825
  H      -2.132284     -0.489058      3.442039
  H      -0.423131     -0.737531      3.087138
  H      -1.518132      0.178152      1.157206
  H      -0.354645      1.394293      1.777598
  H      -7.858012      1.335868      2.846322
  H      -7.509113      1.225497     -1.692128
  H      -5.638022      1.380380     -3.353755
  H      -3.294814      1.649408     -2.544744
  H      -2.804052      1.777602     -0.144461
  H      -4.654132      0.105431      5.198349
  H      -4.045308     -1.328444      6.061608
  H      -6.202990     -0.850573      6.935267
  H      -5.063586     -0.328860      8.216413
  H      -6.961638      5.409189      8.494580
  H     -10.604669      6.165431      5.857281
  H     -11.912200      4.813142      4.202972
  H     -11.230778      2.469096      3.704574
  H      -9.272086      1.461258      4.819237
  N      -1.089701      3.773378      3.950160
  H      -1.528646      4.676177      4.157765
  H      -1.344621      3.507458      2.995684
  H      -0.075830      3.888747      3.987313
99
Coordinates from ORCA-job orca E -6652.853082584920
  N      -2.188954      3.399539      6.736326
  Mo     -2.178104      1.872105      5.460998
  N      -3.070290      0.487766      6.525628
  C      -2.321600     -0.127697      7.638564
  C      -1.270531      0.838587      8.170525
  N      -0.518619      1.450053      7.030798
  C       0.106150      2.753929      7.407081
  C      -0.913676      3.919062      7.230932
  C       0.481208      0.505277      6.451756
  C       0.546067      0.746779      4.945282
  N      -0.831049      0.810497      4.465068
  H      -0.492999      4.661109      6.532090
  H      -1.074930      4.440569      8.187033
  H       0.973763      2.908000      6.753353
  H       0.481293      2.690610      8.440493
  H       1.096535     -0.070914      4.453789
  H       1.096909      1.682789      4.730778
  H       0.122847     -0.516016      6.632271
  H       1.457431      0.626723      6.947032
  H      -2.995544     -0.396967      8.467938
  H      -1.861124     -1.072379      7.288156
  H      -1.764447      1.659083      8.706828
  H      -0.573660      0.338792      8.863596
  C      -3.382344      3.835276      7.460840
  C      -3.943409      5.163552      6.959255
  O      -4.734835      4.942815      5.770136
  C      -4.283166      5.398067      4.591676
  O      -3.196066      5.933613      4.420344
  C      -5.313211      5.174519      3.506419
  N      -6.563828      5.034423      3.924581
  C      -7.520309      4.866227      2.979745
  N      -7.346062      4.796684      1.673579
  C      -6.067342      4.927738      1.223546
  C      -5.834511      4.857245     -0.173062
  C      -4.558306      5.000356     -0.667851
  C      -3.471173      5.218630      0.211979
  C      -3.662704      5.290499      1.575344
  C      -4.964828      5.143847      2.122173
  C      -1.195456      0.060296      3.263352
  C      -1.302473      0.889432      1.986608
  O      -2.317087      1.948677      1.991959
  C      -3.491860      1.746281      2.647093
  O      -3.490603      1.760556      3.946839
  C      -4.735047      1.612061      1.936733
  N      -5.817790      1.538178      2.745384
  C      -7.015338      1.369547      2.168596
  N      -7.289050      1.279868      0.872295
  C      -6.222859      1.380825      0.026314
  C      -6.477643      1.316481     -1.366816
  C      -5.444171      1.419012     -2.273387
  C      -4.120965      1.591333     -1.814883
  C      -3.840826      1.657414     -0.461651
  C      -4.874911      1.551386      0.498771
  C      -4.284205     -0.255068      6.167558
  C      -5.412412     -0.141915      7.185543
  O      -5.956605      1.196540      7.232070
  C      -7.063807      1.400643      6.474535
  O      -7.546064      0.550863      5.748219
  C      -7.625832      2.789395      6.675355
  N      -6.992475      3.554630      7.554715
  C      -7.483922      4.799065      7.762383
  N      -8.524507      5.356853      7.176872
  C      -9.192068      4.588672      6.271297
  C     -10.318483      5.148415      5.618086
  C     -11.031007      4.400089      4.707097
  C     -10.644618      3.069194      4.419755
  C      -9.550466      2.496116      5.034608
  C      -8.786989      3.240610      5.973018
  H      -3.144668      3.946116      8.535314
  H      -4.179719      3.079473      7.378314
  H      -3.154951      5.898929      6.753260
  H      -4.646446      5.564691      7.701475
  H      -8.544786      4.779116      3.349793
  H      -6.692732      4.687376     -0.823522
  H      -4.379662      4.942901     -1.742288
  H      -2.466662      5.337799     -0.197464
  H      -2.826090      5.490330      2.238992
  H      -2.149641     -0.469289      3.424143
  H      -0.441772     -0.722211      3.065770
  H      -1.531997      0.216371      1.143565
  H      -0.366786      1.423727      1.776323
  H      -7.863345      1.298027      2.856076
  H      -7.513592      1.186522     -1.682850
  H      -5.645778      1.369314     -3.344580
  H      -3.307316      1.681502     -2.536508
  H      -2.818030      1.821971     -0.136745
  H      -4.649377      0.102835      5.194847
  H      -4.039615     -1.329874      6.060515
  H      -6.206695     -0.852336      6.920134
  H      -5.072040     -0.341523      8.209779
  H      -6.952626      5.403052      8.504819
  H     -10.591379      6.174699      5.865651
  H     -11.897831      4.830786      4.203514
  H     -11.220005      2.487380      3.698196
  H      -9.264983      1.471685      4.813140
  N      -1.073783      3.786082      3.965665
  H      -1.509596      4.689711      4.178434
  H      -1.331635      3.526149      3.010074
  H      -0.059617      3.896329      4.002454
99
Coordinates from ORCA-job orca E -6652.853423347487
  N      -2.192255      3.401210      6.743644
  Mo     -2.182098      1.870068      5.471804
  N      -3.069517      0.487336      6.542390
  C      -2.321338     -0.120520      7.660720
  C      -1.262858      0.844019      8.182230
  N      -0.520890      1.449440      7.032070
  C       0.109300      2.755797      7.387079
  C      -0.922748      3.913372      7.259361
  C       0.476829      0.501768      6.452781
  C       0.536450      0.733313      4.945269
  N      -0.841896      0.802747      4.469672
  H      -0.505748      4.688002      6.593666
  H      -1.091993      4.391949      8.236861
  H       0.944266      2.914538      6.693138
  H       0.530720      2.693583      8.402731
  H       1.079163     -0.091679      4.457293
  H       1.092658      1.663630      4.720657
  H       0.119653     -0.518371      6.641372
  H       1.454932      0.627427      6.943590
  H      -2.996148     -0.379191      8.492745
  H      -1.864940     -1.069944      7.318037
  H      -1.748024      1.666797      8.722611
  H      -0.561137      0.342010      8.868642
  C      -3.390736      3.846892      7.452819
  C      -3.944800      5.171932      6.935445
  O      -4.735190      4.940868      5.747192
  C      -4.285225      5.393819      4.567399
  O      -3.199355      5.932284      4.396033
  C      -5.313059      5.165283      3.480943
  N      -6.562954      5.013595      3.898180
  C      -7.519140      4.850522      2.952229
  N      -7.346794      4.804893      1.644797
  C      -6.068843      4.944489      1.195416
  C      -5.836553      4.892704     -0.201725
  C      -4.559281      5.033566     -0.694192
  C      -3.470586      5.231889      0.188156
  C      -3.661832      5.288882      1.552367
  C      -4.965300      5.146039      2.096460
  C      -1.210694      0.051931      3.270110
  C      -1.317865      0.881281      1.993615
  O      -2.323329      1.947933      2.005256
  C      -3.498462      1.748366      2.660354
  O      -3.498068      1.764882      3.959222
  C      -4.742373      1.618551      1.949510
  N      -5.824957      1.538723      2.756946
  C      -7.022456      1.375574      2.178301
  N      -7.295253      1.293688      0.881141
  C      -6.228372      1.398874      0.036359
  C      -6.481247      1.338858     -1.357083
  C      -5.446666      1.443913     -2.262170
  C      -4.124051      1.613593     -1.801736
  C      -3.845391      1.674574     -0.447932
  C      -4.880625      1.566514      0.510900
  C      -4.277165     -0.264978      6.184962
  C      -5.407850     -0.155278      7.200431
  O      -5.953345      1.182441      7.247425
  C      -7.058733      1.385715      6.487568
  O      -7.537928      0.536290      5.758753
  C      -7.617782      2.776437      6.681175
  N      -6.984051      3.544156      7.558121
  C      -7.473362      4.790479      7.759919
  N      -8.512157      5.347599      7.170953
  C      -9.179865      4.577145      6.267297
  C     -10.304153      5.136478      5.610255
  C     -11.016293      4.386032      4.700622
  C     -10.631957      3.053337      4.419098
  C      -9.540322      2.480216      5.038460
  C      -8.776830      3.227096      5.975031
  H      -3.161826      3.965560      8.528398
  H      -4.190159      3.092763      7.370548
  H      -3.152507      5.900835      6.721420
  H      -4.647689      5.586355      7.670685
  H      -8.542165      4.748303      3.322378
  H      -6.695361      4.733668     -0.854196
  H      -4.380188      4.988082     -1.769233
  H      -2.464826      5.344675     -0.219944
  H      -2.823447      5.467734      2.219542
  H      -2.166114     -0.474728      3.433916
  H      -0.459062     -0.732381      3.072428
  H      -1.555138      0.209864      1.151172
  H      -0.378750      1.407835      1.778789
  H      -7.871589      1.298975      2.863889
  H      -7.516645      1.211841     -1.675228
  H      -5.647617      1.397864     -3.333682
  H      -3.309224      1.704604     -2.521936
  H      -2.822423      1.835457     -0.121629
  H      -4.643221      0.086774      5.210282
  H      -4.025939     -1.338798      6.082836
  H      -6.200850     -0.866143      6.932187
  H      -5.069307     -0.356494      8.224975
  H      -6.941550      5.396219      8.500572
  H     -10.575817      6.164122      5.853520
  H     -11.881436      4.816383      4.193849
  H     -11.207417      2.470137      3.698691
  H      -9.256602      1.454230      4.821943
  N      -1.062632      3.781790      3.976475
  H      -1.500810      4.684094      4.191398
  H      -1.320193      3.525582      3.019732
  H      -0.048737      3.893291      4.013103
99
Coordinates from ORCA-job orca E -6652.853745790633
  N      -2.191421      3.400621      6.753190
  Mo     -2.183323      1.868286      5.482108
  N      -3.066506      0.487169      6.557984
  C      -2.319108     -0.111674      7.681705
  C      -1.253644      0.852655      8.190945
  N      -0.520391      1.448460      7.030669
  C       0.116082      2.757122      7.363400
  C      -0.927701      3.905691      7.289536
  C       0.473172      0.495519      6.452042
  C       0.527737      0.718199      4.943237
  N      -0.851586      0.794510      4.472718
  H      -0.519320      4.716136      6.661050
  H      -1.104162      4.336283      8.288144
  H       0.915610      2.920752      6.630097
  H       0.584680      2.695933      8.358361
  H       1.062900     -0.113772      4.458685
  H       1.090073      1.642785      4.710188
  H       0.114441     -0.522720      6.647944
  H       1.453113      0.622573      6.938792
  H      -2.993951     -0.358467      8.517217
  H      -1.867290     -1.066600      7.348190
  H      -1.730614      1.679730      8.732099
  H      -0.547660      0.350872      8.872800
  C      -3.395683      3.851472      7.448898
  C      -3.942473      5.174608      6.920689
  O      -4.730078      4.935536      5.732525
  C      -4.276908      5.381155      4.551370
  O      -3.190557      5.918631      4.379470
  C      -5.305450      5.154192      3.466251
  N      -6.553138      4.992341      3.885976
  C      -7.511262      4.831380      2.941907
  N      -7.343318      4.803877      1.633310
  C      -6.067125      4.952189      1.181205
  C      -5.839174      4.916034     -0.217057
  C      -4.563063      5.060633     -0.711594
  C      -3.471264      5.247153      0.169614
  C      -3.658345      5.290003      1.535007
  C      -4.960917      5.144975      2.080845
  C      -1.225179      0.047085      3.273273
  C      -1.330292      0.879132      1.998467
  O      -2.328448      1.951865      2.017884
  C      -3.503569      1.751894      2.672768
  O      -3.504308      1.770497      3.971050
  C      -4.747002      1.619575      1.960314
  N      -5.829408      1.527977      2.766206
  C      -7.025256      1.359867      2.185542
  N      -7.296837      1.286391      0.887735
  C      -6.230109      1.403006      0.044412
  C      -6.481984      1.352995     -1.349505
  C      -5.447449      1.469463     -2.253177
  C      -4.126034      1.642628     -1.790752
  C      -3.848577      1.696525     -0.436449
  C      -4.883664      1.575560      0.521104
  C      -4.270602     -0.271219      6.201153
  C      -5.405950     -0.158732      7.211570
  O      -5.952693      1.179063      7.251065
  C      -7.057020      1.379616      6.488787
  O      -7.539549      0.525468      5.767639
  C      -7.614553      2.772138      6.675122
  N      -6.976265      3.545335      7.544009
  C      -7.462739      4.793967      7.738531
  N      -8.501725      5.349178      7.148227
  C      -9.173852      4.573521      6.252372
  C     -10.298739      5.130758      5.594611
  C     -11.016618      4.374766      4.694243
  C     -10.637666      3.038407      4.423156
  C      -9.545243      2.467355      5.043040
  C      -8.775660      3.219912      5.970110
  H      -3.175654      3.974289      8.525810
  H      -4.196089      3.098386      7.364044
  H      -3.146427      5.897922      6.701858
  H      -4.645354      5.598873      7.650134
  H      -8.531726      4.713579      3.314827
  H      -6.699949      4.764197     -0.868617
  H      -4.387119      5.027121     -1.787591
  H      -2.466494      5.361701     -0.240432
  H      -2.817386      5.459332      2.202140
  H      -2.182691     -0.475743      3.437432
  H      -0.476968     -0.740047      3.073868
  H      -1.574579      0.211163      1.155276
  H      -0.388344      1.399782      1.781765
  H      -7.874720      1.277509      2.869801
  H      -7.516600      1.223684     -1.669334
  H      -5.647776      1.429972     -3.325050
  H      -3.311228      1.743354     -2.509669
  H      -2.826860      1.861779     -0.108729
  H      -4.634926      0.073657      5.223329
  H      -4.015716     -1.344798      6.105954
  H      -6.197065     -0.871225      6.942258
  H      -5.071682     -0.356120      8.238198
  H      -6.927853      5.403463      8.473871
  H     -10.566608      6.161150      5.830270
  H     -11.882357      4.803374      4.187029
  H     -11.217969      2.450670      3.710366
  H      -9.266328      1.438302      4.835299
  N      -1.053227      3.777561      3.984879
  H      -1.492812      4.678926      4.200124
  H      -1.311546      3.522570      3.028178
  H      -0.039445      3.891256      4.020318
99
Coordinates from ORCA-job orca E -6652.854013860089
  N      -2.190458      3.399136      6.761619
  Mo     -2.184482      1.864417      5.493034
  N      -3.060647      0.484394      6.575818
  C      -2.311008     -0.107550      7.700797
  C      -1.240419      0.857483      8.199035
  N      -0.516145      1.446949      7.031232
  C       0.121025      2.759733      7.345581
  C      -0.934429      3.894931      7.324587
  C       0.475363      0.492628      6.451153
  C       0.520855      0.706955      4.940667
  N      -0.860539      0.784492      4.477991
  H      -0.535318      4.742819      6.740190
  H      -1.121708      4.271877      8.342963
  H       0.887060      2.932013      6.579121
  H       0.631412      2.700499      8.320029
  H       1.051210     -0.129581      4.458582
  H       1.085130      1.628134      4.698674
  H       0.119412     -0.525165      6.654628
  H       1.457618      0.624368      6.931771
  H      -2.983499     -0.346937      8.540274
  H      -1.862111     -1.065848      7.372701
  H      -1.710955      1.687052      8.742169
  H      -0.529693      0.355875      8.875777
  C      -3.402923      3.855694      7.439927
  C      -3.937653      5.179348      6.901600
  O      -4.722290      4.937476      5.712227
  C      -4.268792      5.382848      4.530974
  O      -3.178532      5.911530      4.356140
  C      -5.296721      5.152900      3.446976
  N      -6.542399      4.983334      3.869020
  C      -7.502238      4.822809      2.926916
  N      -7.338371      4.810726      1.617528
  C      -6.063853      4.966779      1.162696
  C      -5.840762      4.945533     -0.236664
  C      -4.566083      5.094769     -0.733698
  C      -3.471040      5.270145      0.145957
  C      -3.653466      5.299341      1.512457
  C      -4.954969      5.151814      2.060610
  C      -1.240011      0.035690      3.282255
  C      -1.345613      0.864733      2.005501
  O      -2.334206      1.945415      2.031485
  C      -3.509814      1.748564      2.686224
  O      -3.512205      1.768352      3.984103
  C      -4.752525      1.616902      1.971460
  N      -5.835426      1.520424      2.775920
  C      -7.030854      1.355143      2.193539
  N      -7.301787      1.292017      0.895304
  C      -6.234496      1.412776      0.053301
  C      -6.486493      1.375706     -1.340864
  C      -5.451540      1.495728     -2.243556
  C      -4.129871      1.662160     -1.779599
  C      -3.852716      1.707270     -0.424940
  C      -4.888057      1.580610      0.531714
  C      -4.263172     -0.278344      6.221759
  C      -5.401810     -0.162124      7.228629
  O      -5.951032      1.175169      7.260479
  C      -7.052517      1.372714      6.492906
  O      -7.533892      0.514900      5.775238
  C      -7.611952      2.765354      6.673650
  N      -6.973596      3.543428      7.538218
  C      -7.460174      4.793034      7.726094
  N      -8.498398      5.345569      7.131910
  C      -9.170701      4.565002      6.240528
  C     -10.295138      5.119069      5.579359
  C     -11.014246      4.357826      4.684553
  C     -10.636382      3.019472      4.421933
  C      -9.543545      2.451906      5.044258
  C      -8.773404      3.209454      5.966723
  H      -3.195145      3.980128      8.519048
  H      -4.205176      3.105219      7.349059
  H      -3.135328      5.895077      6.680849
  H      -4.640013      5.614248      7.625053
  H      -8.520260      4.692095      3.302431
  H      -6.703700      4.800866     -0.886929
  H      -4.393691      5.073053     -1.810504
  H      -2.467494      5.387168     -0.266370
  H      -2.809761      5.461486      2.178701
  H      -2.198794     -0.483410      3.450350
  H      -0.494910     -0.754522      3.082994
  H      -1.601248      0.196751      1.165762
  H      -0.400761      1.376891      1.781617
  H      -7.880442      1.269539      2.877206
  H      -7.521475      1.251826     -1.661631
  H      -5.651878      1.464776     -3.315672
  H      -3.314691      1.766741     -2.497520
  H      -2.831071      1.869791     -0.096101
  H      -4.626943      0.059977      5.241404
  H      -4.005971     -1.351797      6.132873
  H      -6.191029     -0.876895      6.960017
  H      -5.070348     -0.354205      8.257140
  H      -6.925067      5.406399      8.458099
  H     -10.562138      6.151103      5.808606
  H     -11.879881      4.783782      4.174972
  H     -11.217357      2.427550      3.713188
  H      -9.265350      1.421407      4.842789
  N      -1.053023      3.771613      3.990225
  H      -1.497775      4.670333      4.204417
  H      -1.309481      3.516164      3.033332
  H      -0.039920      3.893081      4.025082
99
Coordinates from ORCA-job orca E -6652.854243291610
  N      -2.194441      3.394796      6.774994
  Mo     -2.186159      1.862582      5.501984
  N      -3.057743      0.479652      6.585061
  C      -2.307618     -0.109591      7.710835
  C      -1.233177      0.855254      8.203332
  N      -0.515797      1.443014      7.030829
  C       0.121017      2.758629      7.334758
  C      -0.946856      3.878389      7.367827
  C       0.475340      0.489368      6.448595
  C       0.516040      0.702707      4.937528
  N      -0.866593      0.782471      4.479107
  H      -0.557033      4.763036      6.833442
  H      -1.145204      4.197271      8.404303
  H       0.853944      2.945470      6.539615
  H       0.671307      2.697263      8.287384
  H       1.043266     -0.135758      4.455255
  H       1.082089      1.622054      4.692683
  H       0.120901     -0.528547      6.653989
  H       1.458618      0.622874      6.926678
  H      -2.979250     -0.344079      8.552473
  H      -1.861427     -1.070376      7.386074
  H      -1.699418      1.685193      8.749513
  H      -0.518766      0.352748      8.875514
  C      -3.416250      3.856701      7.434174
  C      -3.940095      5.180552      6.885237
  O      -4.720720      4.933774      5.693984
  C      -4.265401      5.374883      4.511711
  O      -3.181163      5.916488      4.339305
  C      -5.294634      5.145159      3.428584
  N      -6.539065      4.969257      3.852016
  C      -7.499871      4.807216      2.911251
  N      -7.338412      4.801347      1.601565
  C      -6.065294      4.963792      1.145129
  C      -5.845294      4.948468     -0.254919
  C      -4.572198      5.103176     -0.754146
  C      -3.475724      5.277589      0.123963
  C      -3.655058      5.301023      1.490907
  C      -4.955177      5.149123      2.041476
  C      -1.249156      0.038486      3.281489
  C      -1.354175      0.871967      2.007439
  O      -2.338170      1.956394      2.042609
  C      -3.514291      1.755608      2.695629
  O      -3.517508      1.774179      3.993317
  C      -4.755217      1.618706      1.978153
  N      -5.838251      1.511810      2.780908
  C      -7.032130      1.341349      2.196721
  N      -7.301182      1.281715      0.898052
  C      -6.233989      1.413349      0.057670
  C      -6.484715      1.379518     -1.336894
  C      -5.449805      1.508734     -2.238271
  C      -4.129617      1.681810     -1.772423
  C      -3.853793      1.724354     -0.417421
  C      -4.888972      1.587645      0.538102
  C      -4.260344     -0.283356      6.231906
  C      -5.399422     -0.164208      7.237988
  O      -5.946185      1.174011      7.267234
  C      -7.047132      1.371883      6.499196
  O      -7.531843      0.512528      5.785741
  C      -7.603807      2.766135      6.676820
  N      -6.962528      3.546124      7.537491
  C      -7.445796      4.797695      7.720903
  N      -8.482585      5.350860      7.124756
  C      -9.157986      4.568154      6.237547
  C     -10.281076      5.122606      5.574403
  C     -11.003831      4.359036      4.684539
  C     -10.631100      3.017809      4.429081
  C      -9.539388      2.449975      5.053116
  C      -8.765297      3.210071      5.970093
  H      -3.223210      3.982007      8.516025
  H      -4.219474      3.108388      7.334398
  H      -3.132458      5.889972      6.663415
  H      -4.643044      5.624696      7.602531
  H      -8.516705      4.671391      3.287984
  H      -6.709290      4.803917     -0.903782
  H      -4.402096      5.085876     -1.831393
  H      -2.473302      5.398465     -0.290043
  H      -2.810205      5.462774      2.155450
  H      -2.209304     -0.478528      3.448423
  H      -0.506713     -0.753442      3.078847
  H      -1.615697      0.208193      1.166128
  H      -0.407885      1.380997      1.782440
  H      -7.881213      1.245072      2.879649
  H      -7.518750      1.250297     -1.658707
  H      -5.648960      1.480171     -3.310669
  H      -3.314428      1.794087     -2.489171
  H      -2.833440      1.892437     -0.087393
  H      -4.623853      0.053457      5.250897
  H      -4.003499     -1.357026      6.145003
  H      -6.189665     -0.877985      6.969627
  H      -5.068908     -0.355033      8.267060
  H      -6.909209      5.412089      8.450932
  H     -10.544257      6.156762      5.798431
  H     -11.868521      4.785220      4.173555
  H     -11.215040      2.423870      3.724475
  H      -9.264690      1.417527      4.856716
  N      -1.048906      3.773276      4.002088
  H      -1.497121      4.670768      4.214390
  H      -1.301257      3.517345      3.044137
  H      -0.036397      3.898915      4.040280
99
Coordinates from ORCA-job orca E -6652.854506255027
  N      -2.199939      3.389243      6.787253
  Mo     -2.188355      1.860175      5.509097
  N      -3.052610      0.471543      6.591086
  C      -2.298621     -0.120210      7.712081
  C      -1.222820      0.844114      8.203637
  N      -0.512511      1.438021      7.030438
  C       0.116809      2.757588      7.332757
  C      -0.964302      3.855966      7.417792
  C       0.481387      0.491827      6.441438
  C       0.514369      0.708481      4.930502
  N      -0.870361      0.784518      4.478333
  H      -0.582649      4.776930      6.941882
  H      -1.177700      4.110545      8.469832
  H       0.820412      2.966284      6.516537
  H       0.699386      2.692927      8.265972
  H       1.041875     -0.127880      4.444765
  H       1.076905      1.629566      4.684523
  H       0.134068     -0.528649      6.646362
  H       1.465927      0.630434      6.915481
  H      -2.967293     -0.357503      8.555427
  H      -1.852611     -1.079933      7.383723
  H      -1.687411      1.670290      8.756660
  H      -0.504400      0.338882      8.869565
  C      -3.431775      3.856690      7.424605
  C      -3.941162      5.182380      6.866341
  O      -4.720623      4.934759      5.674370
  C      -4.268943      5.380857      4.492578
  O      -3.185447      5.923459      4.319002
  C      -5.297154      5.145510      3.409589
  N      -6.541182      4.964922      3.832411
  C      -7.500944      4.799758      2.891100
  N      -7.338824      4.795699      1.581426
  C      -6.066118      4.963575      1.125824
  C      -5.845443      4.950333     -0.274250
  C      -4.572319      5.107877     -0.772564
  C      -3.476677      5.282922      0.106489
  C      -3.656732      5.305094      1.473292
  C      -4.956943      5.150697      2.022886
  C      -1.256129      0.040859      3.281954
  C      -1.364560      0.875422      2.008744
  O      -2.343878      1.963337      2.052622
  C      -3.520571      1.759690      2.704411
  O      -3.523411      1.774166      4.001868
  C      -4.759287      1.618448      1.984240
  N      -5.842873      1.502907      2.784877
  C      -7.034990      1.327734      2.198362
  N      -7.301601      1.272115      0.899079
  C      -6.233625      1.410873      0.060869
  C      -6.482155      1.378871     -1.334142
  C      -5.446352      1.513665     -2.233686
  C      -4.127755      1.691438     -1.765192
  C      -3.854239      1.733072     -0.409678
  C      -4.890175      1.590287      0.543996
  C      -4.258080     -0.288312      6.241244
  C      -5.395043     -0.163194      7.249113
  O      -5.939445      1.176182      7.275427
  C      -7.040688      1.373830      6.507549
  O      -7.526343      0.513675      5.795797
  C      -7.594160      2.770123      6.680503
  N      -6.950750      3.551441      7.538435
  C      -7.431754      4.804331      7.719113
  N      -8.468154      5.357663      7.122435
  C      -9.145820      4.573709      6.238034
  C     -10.269387      5.127957      5.575583
  C     -10.995245      4.362885      4.689539
  C     -10.624847      3.020426      4.436998
  C      -9.532575      2.452876      5.060294
  C      -8.755619      3.214208      5.973773
  H      -3.255809      3.980662      8.509597
  H      -4.236584      3.111658      7.313432
  H      -3.126447      5.883193      6.643086
  H      -4.642149      5.637683      7.578597
  H      -8.517220      4.658493      3.267325
  H      -6.708850      4.804623     -0.923614
  H      -4.401373      5.091479     -1.849697
  H      -2.474079      5.405146     -0.306737
  H      -2.812296      5.467726      2.138249
  H      -2.216078     -0.475702      3.451247
  H      -0.514687     -0.751458      3.076824
  H      -1.633168      0.213285      1.168294
  H      -0.417611      1.381154      1.779029
  H      -7.884853      1.227570      2.879719
  H      -7.515253      1.246221     -1.657419
  H      -5.643559      1.486448     -3.306480
  H      -3.311770      1.808441     -2.480293
  H      -2.835135      1.905406     -0.077868
  H      -4.622356      0.047494      5.260192
  H      -4.004697     -1.362935      6.156251
  H      -6.187641     -0.876004      6.985144
  H      -5.062276     -0.351018      8.278083
  H      -6.894027      5.419514      8.447622
  H     -10.530562      6.163125      5.797330
  H     -11.860538      4.788789      4.179325
  H     -11.211152      2.425234      3.735411
  H      -9.259617      1.419579      4.866203
  N      -1.054973      3.776914      4.014114
  H      -1.510089      4.671825      4.223779
  H      -1.299432      3.520559      3.054156
  H      -0.043592      3.910391      4.058321
99
Coordinates from ORCA-job orca E -6652.854795095782
  N      -2.200697      3.383433      6.801765
  Mo     -2.188094      1.860059      5.514613
  N      -3.046141      0.463643      6.592390
  C      -2.286066     -0.138409      7.702520
  C      -1.210120      0.822835      8.199353
  N      -0.504877      1.429990      7.029967
  C       0.113962      2.751884      7.342313
  C      -0.979510      3.826128      7.475678
  C       0.492103      0.495326      6.429711
  C       0.516647      0.721901      4.919847
  N      -0.870596      0.792146      4.475181
  H      -0.603475      4.780672      7.065581
  H      -1.210880      4.012224      8.539217
  H       0.794045      2.988897      6.513721
  H       0.720155      2.679240      8.259960
  H       1.046276     -0.108691      4.426475
  H       1.072816      1.647435      4.676801
  H       0.153126     -0.529008      6.629608
  H       1.478103      0.637587      6.899666
  H      -2.949947     -0.386095      8.546857
  H      -1.839594     -1.093914      7.362544
  H      -1.675285      1.641475      8.762589
  H      -0.488798      0.312154      8.858071
  C      -3.441733      3.858214      7.416344
  C      -3.934064      5.186633      6.848705
  O      -4.713567      4.939815      5.656325
  C      -4.267864      5.393171      4.475166
  O      -3.186099      5.938242      4.299383
  C      -5.295920      5.151345      3.393179
  N      -6.539366      4.967796      3.816379
  C      -7.498219      4.796412      2.875186
  N      -7.335241      4.786160      1.565583
  C      -6.063134      4.958379      1.110005
  C      -5.841827      4.941065     -0.290048
  C      -4.569381      5.103106     -0.788480
  C      -3.475068      5.286287      0.090543
  C      -3.655618      5.312614      1.457131
  C      -4.955293      5.153910      2.006816
  C      -1.260656      0.047291      3.281259
  C      -1.374937      0.882048      2.008522
  O      -2.350269      1.972890      2.060771
  C      -3.527119      1.767015      2.712810
  O      -3.527452      1.776846      4.010111
  C      -4.764643      1.622332      1.992056
  N      -5.848147      1.503570      2.792492
  C      -7.039797      1.325578      2.205779
  N      -7.305487      1.268495      0.906328
  C      -6.237375      1.408630      0.068586
  C      -6.485348      1.373226     -1.326514
  C      -5.449531      1.508115     -2.225972
  C      -4.131703      1.690386     -1.757084
  C      -3.858903      1.736300     -0.401588
  C      -4.894663      1.592702      0.552026
  C      -4.257813     -0.288347      6.246911
  C      -5.390242     -0.155206      7.259004
  O      -5.933516      1.185004      7.280305
  C      -7.036645      1.379430      6.513820
  O      -7.522161      0.516999      5.804874
  C      -7.590061      2.776547      6.681831
  N      -6.946566      3.560626      7.537177
  C      -7.427772      4.813913      7.714603
  N      -8.464730      5.365145      7.116954
  C      -9.142469      4.578460      6.235029
  C     -10.267042      5.130189      5.572225
  C     -10.992954      4.362473      4.688505
  C     -10.621184      3.019937      4.438231
  C      -9.527932      2.454832      5.061984
  C      -8.751385      3.218566      5.973709
  H      -3.284318      3.979759      8.504462
  H      -4.249011      3.117878      7.292507
  H      -3.110984      5.877062      6.623811
  H      -4.631692      5.654548      7.556225
  H      -8.514383      4.654267      3.251444
  H      -6.704422      4.789024     -0.939034
  H      -4.397822      5.083201     -1.865459
  H      -2.472742      5.411601     -0.322443
  H      -2.811804      5.481447      2.121485
  H      -2.219920     -0.469054      3.454646
  H      -0.520352     -0.745379      3.073038
  H      -1.651018      0.220571      1.169903
  H      -0.428254      1.385343      1.772399
  H      -7.889534      1.223080      2.886994
  H      -7.518122      1.237835     -1.649229
  H      -5.645913      1.478070     -3.298836
  H      -3.315588      1.807906     -2.471963
  H      -2.840477      1.912908     -0.069933
  H      -4.623294      0.048300      5.266641
  H      -4.011302     -1.364565      6.162427
  H      -6.185563     -0.868065      7.003610
  H      -5.052272     -0.336998      8.287439
  H      -6.888983      5.431937      8.439931
  H     -10.528809      6.165673      5.791842
  H     -11.859247      4.786359      4.178300
  H     -11.207352      2.422621      3.738333
  H      -9.253648      1.421601      4.869559
  N      -1.064806      3.785656      4.028233
  H      -1.524174      4.679262      4.235362
  H      -1.300253      3.530255      3.065702
  H      -0.054310      3.923716      4.080835
99
Coordinates from ORCA-job orca E -6652.855017144597
  N      -2.202577      3.376800      6.817428
  Mo     -2.187833      1.861899      5.517870
  N      -3.042402      0.456460      6.587443
  C      -2.277369     -0.157092      7.687555
  C      -1.202729      0.801019      8.193113
  N      -0.501339      1.422393      7.028415
  C       0.109056      2.744873      7.350544
  C      -0.996645      3.794390      7.532706
  C       0.498899      0.498401      6.418983
  C       0.519212      0.736388      4.910919
  N      -0.869375      0.803419      4.470513
  H      -0.626145      4.777497      7.189503
  H      -1.244250      3.912132      8.603112
  H       0.763156      3.008343      6.508846
  H       0.740409      2.664585      8.250669
  H       1.051004     -0.088209      4.409903
  H       1.070195      1.666155      4.673100
  H       0.166312     -0.529318      6.612205
  H       1.485461      0.642605      6.887434
  H      -2.937849     -0.416786      8.531145
  H      -1.829331     -1.107298      7.335005
  H      -1.670123      1.611303      8.766140
  H      -0.479229      0.285210      8.845409
  C      -3.452090      3.858144      7.409650
  C      -3.930423      5.188504      6.834266
  O      -4.710908      4.942188      5.642105
  C      -4.272593      5.404460      4.461914
  O      -3.193090      5.953421      4.284296
  C      -5.300770      5.157035      3.380857
  N      -6.544085      4.972985      3.804433
  C      -7.502321      4.797181      2.863301
  N      -7.338647      4.780589      1.553827
  C      -6.066801      4.954133      1.098152
  C      -5.844553      4.931534     -0.301621
  C      -4.572263      5.094648     -0.799973
  C      -3.478989      5.284376      0.078922
  C      -3.660367      5.316102      1.445236
  C      -4.959871      5.155961      1.994774
  C      -1.261642      0.060116      3.276336
  C      -1.379385      0.898936      2.006539
  O      -2.353429      1.990371      2.067113
  C      -3.530352      1.778426      2.718206
  O      -3.528990      1.785029      4.015342
  C      -4.766525      1.626528      1.997302
  N      -5.849737      1.503228      2.797566
  C      -7.039981      1.316826      2.210668
  N      -7.304113      1.252039      0.911115
  C      -6.236317      1.395843      0.073677
  C      -6.482483      1.349629     -1.321487
  C      -5.446801      1.486994     -2.220685
  C      -4.130991      1.682592     -1.751496
  C      -3.859857      1.738226     -0.396066
  C      -4.895324      1.591897      0.557373
  C      -4.259892     -0.287345      6.245529
  C      -5.386277     -0.148363      7.263345
  O      -5.927232      1.192924      7.282449
  C      -7.034295      1.385591      6.521081
  O      -7.523106      0.521912      5.816036
  C      -7.583660      2.784822      6.684473
  N      -6.937545      3.569999      7.536772
  C      -7.415563      4.824933      7.710994
  N      -8.452950      5.376117      7.114090
  C      -9.133323      4.588345      6.235146
  C     -10.257970      5.140231      5.572608
  C     -10.985575      4.371926      4.690720
  C     -10.615593      3.028576      4.442188
  C      -9.522843      2.463010      5.066392
  C      -8.744482      3.227315      5.976054
  H      -3.313176      3.977323      8.500344
  H      -4.261125      3.121709      7.272886
  H      -3.100769      5.870283      6.607281
  H      -4.624687      5.667126      7.538205
  H      -8.518739      4.656622      3.239466
  H      -6.706469      4.774422     -0.950357
  H      -4.399933      5.070451     -1.876785
  H      -2.476603      5.410197     -0.333771
  H      -2.817142      5.488175      2.109333
  H      -2.220664     -0.456335      3.450848
  H      -0.522091     -0.732325      3.064643
  H      -1.658228      0.240230      1.166539
  H      -0.433367      1.402790      1.768829
  H      -7.889608      1.210557      2.891373
  H      -7.513974      1.204627     -1.644056
  H      -5.641591      1.448833     -3.293591
  H      -3.315025      1.802202     -2.466206
  H      -2.843190      1.925064     -0.064596
  H      -4.627243      0.052069      5.266935
  H      -4.020292     -1.364990      6.159447
  H      -6.184861     -0.860591      7.016499
  H      -5.041555     -0.326153      8.290308
  H      -6.874402      5.444029      8.433617
  H     -10.518042      6.176507      5.790541
  H     -11.851864      4.796021      4.180672
  H     -11.203122      2.430836      3.743790
  H      -9.250018      1.429023      4.875730
  N      -1.071265      3.798264      4.045478
  H      -1.533888      4.691142      4.249314
  H      -1.295975      3.544768      3.079767
  H      -0.061706      3.937890      4.109661
99
Coordinates from ORCA-job orca E -6652.855143260586
  N      -2.191275      3.368986      6.833812
  Mo     -2.182060      1.860964      5.523290
  N      -3.034197      0.447234      6.585187
  C      -2.259358     -0.189517      7.663744
  C      -1.188605      0.761388      8.187973
  N      -0.487130      1.406685      7.036379
  C       0.110731      2.728113      7.381984
  C      -1.002677      3.757790      7.590626
  C       0.517203      0.499681      6.411257
  C       0.529761      0.755411      4.905941
  N      -0.861066      0.813215      4.471993
  H      -0.631622      4.758811      7.303511
  H      -1.270605      3.822938      8.661472
  H       0.757183      3.016269      6.542011
  H       0.746361      2.637368      8.278182
  H       1.068188     -0.057007      4.392425
  H       1.069245      1.694018      4.677458
  H       0.195369     -0.533588      6.593262
  H       1.505092      0.646647      6.876174
  H      -2.912648     -0.475565      8.504515
  H      -1.807525     -1.127449      7.284111
  H      -1.661675      1.558040      8.775043
  H      -0.465092      0.236183      8.832556
  C      -3.447498      3.862485      7.402040
  C      -3.908936      5.191425      6.810331
  O      -4.691682      4.939763      5.620627
  C      -4.264328      5.411312      4.440623
  O      -3.191245      5.971573      4.259139
  C      -5.297785      5.164325      3.365138
  N      -6.538773      4.980726      3.795162
  C      -7.500955      4.802934      2.858325
  N      -7.342495      4.781282      1.548225
  C      -6.072655      4.954777      1.086438
  C      -5.855810      4.928620     -0.313999
  C      -4.586064      5.094822     -0.817943
  C      -3.489787      5.290247      0.056002
  C      -3.665620      5.324182      1.423092
  C      -4.962574      5.161577      1.977859
  C      -1.256246      0.062945      3.283413
  C      -1.382326      0.897866      2.011621
  O      -2.353661      1.991318      2.075204
  C      -3.530235      1.779846      2.727877
  O      -3.526470      1.781964      4.024920
  C      -4.767991      1.630484      2.009743
  N      -5.850140      1.508007      2.812172
  C      -7.041056      1.320201      2.227244
  N      -7.307331      1.254039      0.928046
  C      -6.240931      1.397238      0.088859
  C      -6.489091      1.349595     -1.305929
  C      -5.455211      1.488192     -2.206903
  C      -4.139140      1.687662     -1.739990
  C      -3.866090      1.744986     -0.385078
  C      -4.899558      1.595766      0.570127
  C      -4.263713     -0.281130      6.251994
  C      -5.381014     -0.126215      7.277490
  O      -5.921470      1.215875      7.281461
  C      -7.031336      1.399021      6.521335
  O      -7.523728      0.525777      5.830672
  C      -7.582522      2.799049      6.671867
  N      -6.934486      3.594245      7.513411
  C      -7.414700      4.849621      7.677706
  N      -8.458167      5.391356      7.082681
  C      -9.140389      4.593470      6.214477
  C     -10.271362      5.135105      5.554173
  C     -10.999852      4.357092      4.681638
  C     -10.624650      3.013899      4.440432
  C      -9.526471      2.457745      5.063486
  C      -8.747430      3.231936      5.964183
  H      -3.327244      3.986331      8.493969
  H      -4.259706      3.130532      7.258214
  H      -3.070486      5.859511      6.575108
  H      -4.597223      5.688383      7.507463
  H      -8.515970      4.664060      3.239161
  H      -6.719987      4.767396     -0.958751
  H      -4.418204      5.069130     -1.895419
  H      -2.489476      5.418747     -0.360832
  H      -2.819941      5.499617      2.083733
  H      -2.213011     -0.455161      3.464602
  H      -0.515587     -0.728331      3.071303
  H      -1.667603      0.236154      1.176138
  H      -0.437648      1.400000      1.765171
  H      -7.890306      1.217807      2.908978
  H      -7.521022      1.202875     -1.626299
  H      -5.651397      1.448627     -3.279492
  H      -3.324695      1.809323     -2.456076
  H      -2.849683      1.936357     -0.055538
  H      -4.633203      0.060012      5.274877
  H      -4.037893     -1.361711      6.166717
  H      -6.182854     -0.841003      7.049574
  H      -5.026029     -0.288238      8.303592
  H      -6.870513      5.477699      8.390224
  H     -10.534965      6.171798      5.765748
  H     -11.870783      4.773490      4.173159
  H     -11.212607      2.408621      3.748932
  H      -9.250057      1.423533      4.879348
  N      -1.088734      3.808287      4.063568
  H      -1.556312      4.700248      4.260003
  H      -1.294768      3.555616      3.093493
  H      -0.080824      3.950542      4.146661
99
Coordinates from ORCA-job orca E -6652.855187997061
  N      -2.184425      3.366443      6.849309
  Mo     -2.181692      1.862011      5.533750
  N      -3.033419      0.448261      6.595957
  C      -2.255225     -0.189587      7.672940
  C      -1.179511      0.759978      8.192659
  N      -0.485487      1.402252      7.035317
  C       0.118017      2.725956      7.363181
  C      -0.999938      3.739487      7.620546
  C       0.515771      0.491415      6.408631
  C       0.522470      0.743693      4.902462
  N      -0.870114      0.809849      4.474057
  H      -0.638998      4.755604      7.376203
  H      -1.267504      3.757116      8.693425
  H       0.722878      3.018895      6.494336
  H       0.795015      2.642484      8.229536
  H       1.054140     -0.072815      4.388476
  H       1.066448      1.678526      4.668994
  H       0.193128     -0.540747      6.594821
  H       1.505539      0.638404      6.869601
  H      -2.906306     -0.474155      8.515894
  H      -1.806437     -1.128374      7.291768
  H      -1.646826      1.557792      8.782800
  H      -0.452167      0.233494      8.831704
  C      -3.444032      3.872714      7.400338
  C      -3.893260      5.201342      6.798681
  O      -4.676319      4.945329      5.609728
  C      -4.252652      5.419184      4.429078
  O      -3.183267      5.986812      4.247518
  C      -5.285187      5.166883      3.354061
  N      -6.524648      4.973778      3.784825
  C      -7.486722      4.792190      2.848574
  N      -7.330241      4.779169      1.538233
  C      -6.062124      4.961940      1.075277
  C      -5.847377      4.943899     -0.325484
  C      -4.578941      5.118056     -0.830266
  C      -3.481949      5.313364      0.042841
  C      -3.655900      5.339275      1.410361
  C      -4.951611      5.169780      1.966061
  C      -1.272703      0.063611      3.285219
  C      -1.398460      0.901592      2.015415
  O      -2.362910      2.000653      2.087855
  C      -3.537959      1.789237      2.742531
  O      -3.532828      1.794816      4.039597
  C      -4.777050      1.633226      2.027126
  N      -5.856325      1.501604      2.831702
  C      -7.047254      1.306954      2.249087
  N      -7.316434      1.242276      0.950493
  C      -6.253361      1.395946      0.108837
  C      -6.504542      1.351145     -1.285450
  C      -5.473753      1.501080     -2.188265
  C      -4.158105      1.709270     -1.723908
  C      -3.882140      1.763619     -0.369438
  C      -4.912165      1.602545      0.587526
  C      -4.262311     -0.282068      6.264685
  C      -5.379380     -0.125590      7.290069
  O      -5.922749      1.215011      7.286231
  C      -7.031781      1.391802      6.524012
  O      -7.522623      0.513366      5.838719
  C      -7.584027      2.792276      6.664518
  N      -6.937711      3.593644      7.501563
  C      -7.418568      4.849964      7.655955
  N      -8.459792      5.387879      7.053542
  C      -9.140354      4.583613      6.189906
  C     -10.269043      5.120845      5.522126
  C     -10.996211      4.336187      4.654470
  C     -10.622393      2.990319      4.426348
  C      -9.526330      2.438257      5.056783
  C      -8.748065      3.219674      5.951990
  H      -3.334742      4.000441      8.493082
  H      -4.259898      3.145434      7.252027
  H      -3.049421      5.860938      6.558948
  H      -4.577953      5.709618      7.491251
  H      -8.499931      4.643118      3.230047
  H      -6.711572      4.781932     -0.970001
  H      -4.412618      5.098976     -1.908125
  H      -2.482844      5.447504     -0.375105
  H      -2.810187      5.513866      2.070775
  H      -2.231762     -0.449632      3.468470
  H      -0.536689     -0.731165      3.070264
  H      -1.691606      0.243806      1.179574
  H      -0.451757      1.398521      1.766235
  H      -7.894059      1.196763      2.932705
  H      -7.535960      1.196830     -1.604438
  H      -5.672327      1.463647     -3.260503
  H      -3.346601      1.840588     -2.441629
  H      -2.866497      1.961932     -0.041333
  H      -4.632730      0.057032      5.287065
  H      -4.035736     -1.362582      6.180835
  H      -6.179288     -0.843793      7.066075
  H      -5.023493     -0.281299      8.316835
  H      -6.875509      5.483264      8.364747
  H     -10.532153      6.159543      5.724253
  H     -11.865150      4.749288      4.139925
  H     -11.209505      2.379753      3.738784
  H      -9.251091      1.402064      4.882546
  N      -1.079752      3.810892      4.074852
  H      -1.553472      4.701011      4.263750
  H      -1.274124      3.555000      3.103250
  H      -0.073484      3.958129      4.169024
99
Coordinates from ORCA-job orca E -6652.855192609784
  N      -2.186472      3.358954      6.859700
  Mo     -2.178352      1.870416      5.522597
  N      -3.038111      0.445192      6.563024
  C      -2.255713     -0.218339      7.622796
  C      -1.189658      0.724530      8.172104
  N      -0.487989      1.392923      7.032133
  C       0.112542      2.708371      7.390985
  C      -1.008898      3.723516      7.642861
  C       0.519205      0.494419      6.398005
  C       0.535827      0.771687      4.897137
  N      -0.855215      0.838216      4.462049
  H      -0.641474      4.738953      7.404455
  H      -1.283681      3.737908      8.713498
  H       0.727974      3.012730      6.533822
  H       0.777376      2.608701      8.265039
  H       1.074527     -0.032026      4.370889
  H       1.074260      1.714145      4.682910
  H       0.197681     -0.541300      6.564780
  H       1.506017      0.635157      6.867595
  H      -2.905636     -0.532963      8.456037
  H      -1.799343     -1.141505      7.213990
  H      -1.668626      1.507846      8.771778
  H      -0.465936      0.190643      8.809005
  C      -3.448702      3.858625      7.409007
  C      -3.908722      5.185329      6.810620
  O      -4.690950      4.929591      5.620105
  C      -4.277755      5.425418      4.445012
  O      -3.211791      6.000926      4.266608
  C      -5.307218      5.170856      3.367036
  N      -6.548308      4.981839      3.795116
  C      -7.507604      4.797142      2.856346
  N      -7.346343      4.769416      1.547002
  C      -6.076875      4.949163      1.086759
  C      -5.856360      4.919613     -0.312531
  C      -4.587099      5.096264     -0.814037
  C      -3.494473      5.306516      0.060821
  C      -3.673800      5.342708      1.427376
  C      -4.970114      5.168406      1.979876
  C      -1.251347      0.097414      3.265839
  C      -1.378066      0.946515      2.003887
  O      -2.357097      2.033165      2.078074
  C      -3.529501      1.804467      2.731600
  O      -3.522966      1.813206      4.029933
  C      -4.768522      1.630183      2.021123
  N      -5.846159      1.499675      2.828472
  C      -7.035682      1.288787      2.248865
  N      -7.303702      1.193289      0.951457
  C      -6.242813      1.346852      0.106999
  C      -6.491494      1.270804     -1.286467
  C      -5.462107      1.420251     -2.190980
  C      -4.150041      1.657095     -1.730087
  C      -3.875951      1.738623     -0.376636
  C      -4.904584      1.579349      0.582093
  C      -4.276973     -0.268449      6.234012
  C      -5.381142     -0.112858      7.272805
  O      -5.921414      1.228909      7.276765
  C      -7.041926      1.407544      6.532509
  O      -7.543529      0.531472      5.851957
  C      -7.582705      2.812164      6.672776
  N      -6.927811      3.609725      7.506510
  C      -7.397524      4.870407      7.658934
  N      -8.436853      5.414948      7.059495
  C      -9.125852      4.614685      6.198930
  C     -10.250094      5.160515      5.530499
  C     -10.981611      4.381919      4.660854
  C     -10.617467      3.033620      4.432061
  C      -9.527094      2.472544      5.064488
  C      -8.743873      3.247857      5.960755
  H      -3.344357      3.984545      8.502176
  H      -4.260175      3.126648      7.256557
  H      -3.070367      5.852104      6.572119
  H      -4.596381      5.686640      7.505757
  H      -8.523616      4.659632      3.234790
  H      -6.717092      4.747275     -0.959111
  H      -4.416809      5.068840     -1.891176
  H      -2.494844      5.444472     -0.354596
  H      -2.832121      5.525969      2.089669
  H      -2.208820     -0.421040      3.443348
  H      -0.511467     -0.692346      3.046896
  H      -1.655510      0.293604      1.158836
  H      -0.435982      1.458161      1.767118
  H      -7.880206      1.168428      2.933652
  H      -7.519843      1.094378     -1.603868
  H      -5.658967      1.359253     -3.262492
  H      -3.340287      1.787625     -2.449922
  H      -2.863425      1.956398     -0.051058
  H      -4.651986      0.085800      5.263457
  H      -4.062302     -1.350208      6.135925
  H      -6.185141     -0.829809      7.059732
  H      -5.011513     -0.269221      8.294640
  H      -6.844720      5.502106      8.361540
  H     -10.505386      6.201221      5.732362
  H     -11.846418      4.802079      4.145054
  H     -11.208035      2.428289      3.742828
  H      -9.260021      1.434029      4.890668
  N      -1.089400      3.841601      4.092560
  H      -1.564034      4.732651      4.273094
  H      -1.261922      3.588496      3.116056
  H      -0.085255      3.981591      4.213186
99
Coordinates from ORCA-job orca E -6652.855267703583
  N      -2.189590      3.357171      6.857230
  Mo     -2.180216      1.861942      5.530416
  N      -3.031795      0.438566      6.579259
  C      -2.246810     -0.221667      7.636865
  C      -1.181660      0.723819      8.181625
  N      -0.484088      1.392490      7.041985
  C       0.107752      2.714027      7.397873
  C      -1.012655      3.729533      7.637664
  C       0.527182      0.500106      6.405261
  C       0.535397      0.771726      4.903065
  N      -0.856808      0.828306      4.471690
  H      -0.647726      4.743445      7.389551
  H      -1.289506      3.752804      8.707514
  H       0.731561      3.014770      6.545356
  H       0.763231      2.621499      8.279384
  H       1.077737     -0.030798      4.378584
  H       1.068058      1.716374      4.683528
  H       0.215361     -0.537910      6.576736
  H       1.514482      0.651013      6.870138
  H      -2.894552     -0.537243      8.471312
  H      -1.788479     -1.144007      7.228037
  H      -1.659744      1.507005      8.782648
  H      -0.455501      0.190604      8.816326
  C      -3.453622      3.855954      7.402740
  C      -3.911567      5.177378      6.792930
  O      -4.685543      4.909389      5.600026
  C      -4.269661      5.403041      4.424758
  O      -3.209660      5.990367      4.249294
  C      -5.299461      5.151687      3.348136
  N      -6.537639      4.949663      3.778248
  C      -7.498777      4.768693      2.840751
  N      -7.342316      4.764965      1.530402
  C      -6.074998      4.956457      1.068179
  C      -5.859281      4.947531     -0.332300
  C      -4.591136      5.130269     -0.835070
  C      -3.495252      5.325378      0.039430
  C      -3.670338      5.342960      1.407010
  C      -4.965680      5.164434      1.960368
  C      -1.252021      0.077785      3.282238
  C      -1.385229      0.916469      2.013835
  O      -2.359798      2.006264      2.086229
  C      -3.532402      1.784644      2.740734
  O      -3.527364      1.789381      4.038487
  C      -4.772686      1.623200      2.028815
  N      -5.849763      1.488235      2.835721
  C      -7.040795      1.287849      2.255412
  N      -7.311859      1.215845      0.957516
  C      -6.251073      1.372393      0.113395
  C      -6.503479      1.320312     -1.280291
  C      -5.474551      1.472474     -2.184915
  C      -4.159574      1.690357     -1.723361
  C      -3.882381      1.751829     -0.369405
  C      -4.910417      1.588367      0.589286
  C      -4.271695     -0.275568      6.254562
  C      -5.376844     -0.111671      7.291897
  O      -5.916196      1.230829      7.288515
  C      -7.029819      1.409308      6.533568
  O      -7.530777      0.529336      5.857454
  C      -7.573839      2.813433      6.669565
  N      -6.920850      3.615135      7.501088
  C      -7.393417      4.875412      7.649284
  N      -8.433500      5.416032      7.047467
  C      -9.120398      4.611750      6.189044
  C     -10.246354      5.152918      5.519795
  C     -10.978554      4.369081      4.655625
  C     -10.612473      3.020344      4.432363
  C      -9.519273      2.464417      5.064370
  C      -8.736294      3.244600      5.956535
  H      -3.349140      3.990533      8.495071
  H      -4.263444      3.121194      7.256312
  H      -3.071995      5.842251      6.553183
  H      -4.603164      5.684238      7.479483
  H      -8.511412      4.613032      3.221584
  H      -6.721974      4.784669     -0.978614
  H      -4.424012      5.118000     -1.912913
  H      -2.496682      5.466502     -0.377455
  H      -2.826225      5.517858      2.069676
  H      -2.205906     -0.444743      3.465876
  H      -0.507750     -0.708972      3.066944
  H      -1.670672      0.257265      1.176431
  H      -0.442822      1.422488      1.766612
  H      -7.885940      1.172422      2.940191
  H      -7.534088      1.158574     -1.598123
  H      -5.674468      1.429188     -3.256686
  H      -3.349896      1.823409     -2.442798
  H      -2.867416      1.956155     -0.043141
  H      -4.647272      0.073988      5.282574
  H      -4.058286     -1.357878      6.161650
  H      -6.181505     -0.828652      7.081619
  H      -5.008703     -0.262829      8.315053
  H      -6.845700      5.508758      8.354353
  H     -10.503284      6.193961      5.717724
  H     -11.845292      4.785239      4.139840
  H     -11.203227      2.410789      3.747034
  H      -9.250781      1.425648      4.894751
  N      -1.102290      3.828450      4.089978
  H      -1.595183      4.711737      4.261291
  H      -1.260647      3.567758      3.113244
  H      -0.101965      3.990335      4.217101
99
Coordinates from ORCA-job orca E -6652.855254033404
  N      -2.167678      3.365008      6.855968
  Mo     -2.173910      1.867421      5.532137
  N      -3.034540      0.453498      6.586801
  C      -2.252979     -0.205241      7.648556
  C      -1.178505      0.735150      8.184131
  N      -0.478240      1.389105      7.037556
  C       0.128774      2.706214      7.383788
  C      -0.980699      3.734083      7.623607
  C       0.522397      0.483199      6.402101
  C       0.529483      0.749645      4.898369
  N      -0.863261      0.819895      4.470210
  H      -0.609722      4.742946      7.364374
  H      -1.249337      3.768585      8.695458
  H       0.751183      2.996909      6.526703
  H       0.788459      2.611639      8.261902
  H       1.061951     -0.060560      4.375577
  H       1.072154      1.687548      4.674326
  H       0.199556     -0.550657      6.578285
  H       1.512061      0.625249      6.864570
  H      -2.901677     -0.509467      8.486455
  H      -1.803108     -1.134494      7.246050
  H      -1.648068      1.527185      8.780405
  H      -0.455183      0.200468      8.820915
  C      -3.425046      3.873648      7.408214
  C      -3.876751      5.198258      6.799661
  O      -4.656458      4.936013      5.609042
  C      -4.240658      5.424746      4.431344
  O      -3.178362      6.006762      4.252609
  C      -5.272224      5.172214      3.356021
  N      -6.511391      4.977725      3.787005
  C      -7.473271      4.794739      2.850645
  N      -7.316472      4.780051      1.540510
  C      -6.048604      4.964176      1.077225
  C      -5.833533      4.943852     -0.323320
  C      -4.565294      5.119954     -0.828024
  C      -3.468845      5.320095      0.044622
  C      -3.643261      5.347824      1.412142
  C      -4.938648      5.175807      1.967761
  C      -1.267400      0.074440      3.280593
  C      -1.396711      0.914652      2.012698
  O      -2.365548      2.010316      2.086985
  C      -3.536316      1.794973      2.746245
  O      -3.526919      1.804008      4.043822
  C      -4.779367      1.628773      2.039846
  N      -5.850883      1.481383      2.852136
  C      -7.042992      1.269671      2.277926
  N      -7.321161      1.203527      0.981363
  C      -6.266788      1.374348      0.131925
  C      -6.527257      1.328738     -1.260495
  C      -5.505172      1.495660     -2.170289
  C      -4.189252      1.721665     -1.715311
  C      -3.904247      1.776532     -0.362740
  C      -4.925089      1.598331      0.601065
  C      -4.272296     -0.263674      6.259419
  C      -5.380743     -0.102325      7.293644
  O      -5.928973      1.236275      7.284186
  C      -7.041026      1.403694      6.524525
  O      -7.531476      0.517985      5.848198
  C      -7.600406      2.801844      6.658774
  N      -6.961127      3.609435      7.495184
  C      -7.447482      4.864667      7.641128
  N      -8.487564      5.395982      7.030967
  C      -9.161162      4.584984      6.168215
  C     -10.287361      5.115394      5.490827
  C     -11.007809      4.323658      4.624023
  C     -10.629963      2.977104      4.406918
  C      -9.535848      2.431718      5.046506
  C      -8.763774      3.220929      5.940217
  H      -3.312109      4.009249      8.499652
  H      -4.240771      3.144530      7.267962
  H      -3.033890      5.858443      6.558109
  H      -4.563326      5.708351      7.488902
  H      -8.486540      4.645853      3.232077
  H      -6.696813      4.778451     -0.968192
  H      -4.398873      5.099251     -1.905876
  H      -2.470228      5.456479     -0.373712
  H      -2.798370      5.525898      2.072699
  H      -2.225255     -0.440429      3.465429
  H      -0.530249     -0.718449      3.063106
  H      -1.688172      0.257745      1.175643
  H      -0.451645      1.415082      1.764374
  H      -7.883200      1.146990      2.967617
  H      -7.558310      1.160260     -1.573214
  H      -5.711225      1.457801     -3.241101
  H      -3.385302      1.866633     -2.438853
  H      -2.889311      1.988251     -0.041131
  H      -4.646369      0.083785      5.286032
  H      -4.055571     -1.345381      6.167754
  H      -6.180393     -0.824861      7.083305
  H      -5.014596     -0.247960      8.318309
  H      -6.911714      5.502601      8.351325
  H     -10.554224      6.154619      5.685115
  H     -11.874795      4.731506      4.102064
  H     -11.211996      2.360786      3.720178
  H      -9.257646      1.394967      4.880445
  N      -1.081924      3.824617      4.082176
  H      -1.567519      4.711941      4.254146
  H      -1.245791      3.563024      3.106669
  H      -0.080161      3.979958      4.206419
99
Coordinates from ORCA-job orca E -6652.855310536611
  N      -2.173771      3.360670      6.863701
  Mo     -2.176601      1.868420      5.532986
  N      -3.035366      0.449888      6.582514
  C      -2.252164     -0.211360      7.642119
  C      -1.179652      0.729734      8.181039
  N      -0.481294      1.388367      7.035649
  C       0.124262      2.705157      7.384024
  C      -0.988712      3.726713      7.635525
  C       0.521162      0.485841      6.398257
  C       0.528860      0.757409      4.895613
  N      -0.863877      0.827847      4.466833
  H      -0.620381      4.739347      7.387440
  H      -1.257481      3.748595      8.707765
  H       0.738467      3.001763      6.522999
  H       0.791577      2.609392      8.256317
  H       1.062163     -0.050536      4.370187
  H       1.070499      1.696633      4.674686
  H       0.199708     -0.548966      6.571198
  H       1.510326      0.627994      6.861905
  H      -2.900342     -0.520208      8.478704
  H      -1.800184     -1.138006      7.236001
  H      -1.651078      1.519086      8.779370
  H      -0.455076      0.195018      8.816347
  C      -3.432608      3.868299      7.413173
  C      -3.887111      5.189622      6.800406
  O      -4.661884      4.918736      5.608514
  C      -4.249237      5.413099      4.432363
  O      -3.192860      6.006602      4.256174
  C      -5.274736      5.148996      3.354445
  N      -6.510263      4.926827      3.782425
  C      -7.467052      4.731499      2.843271
  N      -7.308307      4.729846      1.533189
  C      -6.043894      4.944105      1.073117
  C      -5.826283      4.941227     -0.327114
  C      -4.561215      5.148647     -0.827946
  C      -3.470347      5.363886      0.048167
  C      -3.647413      5.375752      1.415528
  C      -4.939706      5.170833      1.967070
  C      -1.266990      0.083682      3.275672
  C      -1.398840      0.926743      2.010171
  O      -2.371219      2.018870      2.088011
  C      -3.540304      1.797407      2.748395
  O      -3.529842      1.808285      4.046156
  C      -4.783207      1.622404      2.043923
  N      -5.853920      1.475717      2.857195
  C      -7.046406      1.263303      2.284004
  N      -7.324908      1.192245      0.987669
  C      -6.270957      1.361077      0.137299
  C      -6.531469      1.310980     -1.254933
  C      -5.509452      1.475877     -2.165255
  C      -4.193718      1.704764     -1.711168
  C      -3.908775      1.764552     -0.358807
  C      -4.929406      1.588006      0.605420
  C      -4.274545     -0.264683      6.255160
  C      -5.381104     -0.103456      7.291462
  O      -5.927546      1.236006      7.282747
  C      -7.043082      1.405523      6.528689
  O      -7.539419      0.520928      5.855193
  C      -7.593217      2.807763      6.658688
  N      -6.947043      3.613879      7.491182
  C      -7.424159      4.873142      7.633076
  N      -8.460150      5.410114      7.021042
  C      -9.140619      4.600873      6.162036
  C     -10.262805      5.137498      5.482891
  C     -10.990037      4.347964      4.619713
  C     -10.623154      2.997552      4.408119
  C      -9.533135      2.446081      5.049496
  C      -8.754141      3.232753      5.939457
  H      -3.322028      4.006854      8.504413
  H      -4.246539      3.136987      7.273221
  H      -3.046305      5.852266      6.558647
  H      -4.577325      5.699509      7.486181
  H      -8.477724      4.559477      3.222159
  H      -6.684800      4.763415     -0.975055
  H      -4.392743      5.141276     -1.905669
  H      -2.474310      5.525439     -0.367350
  H      -2.807635      5.565811      2.079558
  H      -2.223906     -0.433230      3.459928
  H      -0.528505     -0.707312      3.056198
  H      -1.687748      0.271578      1.170874
  H      -0.455453      1.431215      1.763544
  H      -7.885943      1.139045      2.974176
  H      -7.562317      1.140564     -1.567360
  H      -5.715590      1.434219     -3.235918
  H      -3.390009      1.848391     -2.435255
  H      -2.894022      1.978548     -0.037776
  H      -4.649336      0.085914      5.283146
  H      -4.059858     -1.346593      6.160652
  H      -6.181673     -0.825503      7.083034
  H      -5.012986     -0.249126      8.315382
  H      -6.882184      5.510242      8.339269
  H     -10.521240      6.179635      5.672938
  H     -11.853927      4.760611      4.096394
  H     -11.210652      2.383036      3.724421
  H      -9.263816      1.406276      4.888138
  N      -1.089400      3.834928      4.090081
  H      -1.576612      4.721233      4.262726
  H      -1.249809      3.575974      3.113382
  H      -0.088276      3.990568      4.218882
99
Coordinates from ORCA-job orca E -6652.855278066289
  N      -2.191835      3.351339      6.871972
  Mo     -2.183515      1.864955      5.534921
  N      -3.036909      0.438355      6.577770
  C      -2.251143     -0.227714      7.632238
  C      -1.183983      0.714750      8.178983
  N      -0.489258      1.385306      7.038894
  C       0.106608      2.705204      7.393904
  C      -1.013140      3.716118      7.653987
  C       0.521198      0.493771      6.398209
  C       0.529283      0.773113      4.897085
  N      -0.863079      0.837154      4.465891
  H      -0.650072      4.734412      7.421001
  H      -1.287568      3.722358      8.724919
  H       0.715620      3.010372      6.532211
  H       0.776991      2.610668      8.263976
  H       1.068876     -0.028443      4.368377
  H       1.065292      1.716933      4.681995
  H       0.207699     -0.544456      6.565371
  H       1.508327      0.641586      6.864334
  H      -2.898405     -0.547021      8.465516
  H      -1.793740     -1.148394      7.218631
  H      -1.659794      1.497155      8.782918
  H      -0.456841      0.179118      8.810411
  C      -3.455857      3.856284      7.411775
  C      -3.910115      5.174825      6.793424
  O      -4.674572      4.898758      5.595629
  C      -4.261101      5.403482      4.423906
  O      -3.206533      6.002532      4.254696
  C      -5.282351      5.142363      3.341428
  N      -6.518571      4.917131      3.765721
  C      -7.473627      4.726933      2.823815
  N      -7.313084      4.736120      1.514089
  C      -6.047644      4.951715      1.057221
  C      -5.828265      4.957769     -0.342575
  C      -4.561678      5.163787     -0.840109
  C      -3.471131      5.368672      0.038803
  C      -3.650128      5.372759      1.406033
  C      -4.944280      5.170370      1.954360
  C      -1.258470      0.096771      3.269728
  C      -1.393486      0.946669      2.009032
  O      -2.374199      2.030557      2.093275
  C      -3.541708      1.792071      2.749420
  O      -3.534025      1.801262      4.047081
  C      -4.781339      1.601763      2.042278
  N      -5.849644      1.429087      2.853259
  C      -7.038113      1.202017      2.277281
  N      -7.314421      1.135844      0.980341
  C      -6.263113      1.330181      0.132060
  C      -6.521749      1.286656     -1.260634
  C      -5.501637      1.474267     -2.168763
  C      -4.190043      1.720212     -1.711901
  C      -3.907224      1.775354     -0.358873
  C      -4.925820      1.575997      0.603126
  C      -4.279258     -0.272280      6.253891
  C      -5.379401     -0.106874      7.296373
  O      -5.920048      1.234938      7.288812
  C      -7.041649      1.407892      6.544950
  O      -7.556583      0.520435      5.889302
  C      -7.575560      2.817088      6.666165
  N      -6.908563      3.626486      7.478858
  C      -7.367728      4.893766      7.608475
  N      -8.402407      5.436311      6.999132
  C      -9.104000      4.623857      6.160343
  C     -10.225307      5.166464      5.484554
  C     -10.973946      4.374152      4.642490
  C     -10.629569      3.015149      4.448944
  C      -9.540191      2.457966      5.086519
  C      -8.739744      3.247016      5.955106
  H      -3.352047      3.998217      8.503272
  H      -4.266852      3.121898      7.269147
  H      -3.069565      5.839266      6.556127
  H      -4.606755      5.684618      7.472835
  H      -8.484397      4.550268      3.200099
  H      -6.686245      4.786641     -0.993006
  H      -4.391627      5.162896     -1.917622
  H      -2.473897      5.528525     -0.374529
  H      -2.810725      5.555054      2.072211
  H      -2.211965     -0.428130      3.449246
  H      -0.513480     -0.687223      3.047320
  H      -1.675752      0.294792      1.164870
  H      -0.453153      1.459321      1.767700
  H      -7.873798      1.047970      2.965963
  H      -7.549314      1.101600     -1.575644
  H      -5.706348      1.436674     -3.239850
  H      -3.387997      1.881010     -2.434208
  H      -2.896115      2.002240     -0.035434
  H      -4.657835      0.081728      5.284521
  H      -4.068933     -1.354693      6.156205
  H      -6.183857     -0.826452      7.094575
  H      -5.004916     -0.251403      8.318121
  H      -6.809060      5.533509      8.299083
  H     -10.466213      6.215234      5.660562
  H     -11.837302      4.791293      4.121880
  H     -11.233776      2.398614      3.781837
  H      -9.288086      1.411822      4.938934
  N      -1.106195      3.844323      4.102838
  H      -1.604084      4.724823      4.272660
  H      -1.252120      3.588010      3.123232
  H      -0.108434      4.010212      4.244324
99
Coordinates from ORCA-job orca E -6652.855373634770
  N      -2.179748      3.355036      6.872951
  Mo     -2.180930      1.868397      5.536113
  N      -3.037414      0.445605      6.581355
  C      -2.250875     -0.223008      7.633694
  C      -1.179384      0.715892      8.177513
  N      -0.484142      1.382985      7.035481
  C       0.118013      2.699753      7.390751
  C      -0.995996      3.718300      7.647633
  C       0.520681      0.487371      6.391897
  C       0.526296      0.767613      4.890956
  N      -0.866880      0.836995      4.462989
  H      -0.628206      4.732710      7.405850
  H      -1.265661      3.733404      8.719732
  H       0.730890      3.001828      6.530668
  H       0.785930      2.601213      8.262250
  H       1.061499     -0.035634      4.360346
  H       1.065092      1.709610      4.675004
  H       0.203206     -0.549573      6.559506
  H       1.509648      0.630717      6.855557
  H      -2.896874     -0.540706      8.468593
  H      -1.797348     -1.144942      7.218679
  H      -1.651401      1.500618      8.781346
  H      -0.453187      0.178256      8.808417
  C      -3.439395      3.864217      7.418201
  C      -3.894630      5.180937      6.796788
  O      -4.658536      4.900633      5.599639
  C      -4.250268      5.410394      4.428421
  O      -3.202969      6.022458      4.260704
  C      -5.266581      5.136926      3.344258
  N      -6.499852      4.891314      3.765987
  C      -7.450413      4.689288      2.821907
  N      -7.288003      4.704857      1.512420
  C      -6.025466      4.942078      1.058297
  C      -5.803736      4.955751     -0.341042
  C      -4.539379      5.181938     -0.835602
  C      -3.453587      5.400627      0.045899
  C      -3.635208      5.398559      1.412819
  C      -4.927024      5.174580      1.958018
  C      -1.268226      0.097235      3.268330
  C      -1.405777      0.947001      2.007800
  O      -2.385177      2.032242      2.094061
  C      -3.549908      1.796073      2.756079
  O      -3.536355      1.807575      4.053555
  C      -4.792523      1.601624      2.055775
  N      -5.856244      1.427361      2.872419
  C      -7.047394      1.198404      2.302653
  N      -7.330574      1.134205      1.007040
  C      -6.283753      1.329416      0.153330
  C      -6.549295      1.286561     -1.238020
  C      -5.533818      1.475611     -2.151145
  C      -4.220121      1.722201     -1.700790
  C      -3.930481      1.776105     -0.349181
  C      -4.944172      1.575406      0.617594
  C      -4.279922     -0.264506      6.257119
  C      -5.381024     -0.100060      7.298734
  O      -5.925807      1.240054      7.288235
  C      -7.044920      1.408456      6.539513
  O      -7.550565      0.520190      5.877752
  C      -7.587387      2.814341      6.660632
  N      -6.934443      3.623444      7.484882
  C      -7.402006      4.887594      7.614909
  N      -8.433022      5.427082      6.996773
  C      -9.120638      4.614632      6.146459
  C     -10.237160      5.154116      5.460384
  C     -10.971604      4.361598      4.606054
  C     -10.617554      3.005395      4.410374
  C      -9.532532      2.451277      5.057988
  C      -8.746247      3.240823      5.938952
  H      -3.329514      4.010169      8.508548
  H      -4.252307      3.130747      7.282406
  H      -3.054832      5.845814      6.558017
  H      -4.591884      5.691533      7.475023
  H      -8.459053      4.496230      3.195952
  H      -6.657790      4.773498     -0.993634
  H      -4.367327      5.186573     -1.912825
  H      -2.458102      5.576489     -0.365130
  H      -2.799849      5.590960      2.081423
  H      -2.222478     -0.425114      3.451288
  H      -0.526020     -0.688725      3.043711
  H      -1.691070      0.295274      1.164549
  H      -0.465510      1.458517      1.763781
  H      -7.880174      1.047242      2.995596
  H      -7.578268      1.101423     -1.548165
  H      -5.743980      1.439012     -3.221218
  H      -3.421889      1.884164     -2.427058
  H      -2.917946      2.003713     -0.030490
  H      -4.657890      0.089526      5.287501
  H      -4.069429     -1.346878      6.159354
  H      -6.183454     -0.822128      7.097801
  H      -5.006906     -0.241917      8.321023
  H      -6.855755      5.526840      8.315845
  H     -10.485889      6.200730      5.638386
  H     -11.831288      4.776359      4.077516
  H     -11.210796      2.388553      3.733770
  H      -9.272844      1.407256      4.908397
  N      -1.102801      3.845104      4.100958
  H      -1.595818      4.728234      4.273225
  H      -1.252868      3.590504      3.121554
  H      -0.103895      4.005713      4.240261
99
Coordinates from ORCA-job orca E -6652.855437556406
  N      -2.171630      3.355773      6.881753
  Mo     -2.182812      1.872090      5.541591
  N      -3.040202      0.451451      6.588739
  C      -2.252258     -0.219462      7.638752
  C      -1.174172      0.715477      8.176412
  N      -0.482312      1.378708      7.029965
  C       0.127517      2.692710      7.382832
  C      -0.980953      3.715335      7.647660
  C       0.515833      0.479245      6.380967
  C       0.516975      0.762824      4.880412
  N      -0.877490      0.839964      4.457400
  H      -0.611303      4.728518      7.403711
  H      -1.243171      3.731189      8.721723
  H       0.736018      2.993932      6.519295
  H       0.801198      2.590492      8.249470
  H       1.046297     -0.042067      4.346346
  H       1.059934      1.702455      4.664441
  H       0.193774     -0.556375      6.548049
  H       1.507080      0.616988      6.841407
  H      -2.896129     -0.533774      8.476578
  H      -1.804334     -1.143832      7.223017
  H      -1.639739      1.502940      8.781689
  H      -0.446904      0.175550      8.804137
  C      -3.426271      3.872132      7.431517
  C      -3.880500      5.185248      6.802595
  O      -4.636162      4.895136      5.602581
  C      -4.230308      5.411959      4.433634
  O      -3.192787      6.042041      4.272236
  C      -5.234417      5.119967      3.342979
  N      -6.461913      4.835215      3.756817
  C      -7.402596      4.615679      2.806746
  N      -7.235689      4.650606      1.498159
  C      -5.978629      4.928897      1.051885
  C      -5.752472      4.965578     -0.346255
  C      -4.492949      5.232185     -0.833061
  C      -3.416705      5.470066      0.055182
  C      -3.603195      5.447411      1.421333
  C      -4.890435      5.181543      1.958633
  C      -1.284942      0.107071      3.260572
  C      -1.427547      0.962808      2.004552
  O      -2.409210      2.045699      2.100495
  C      -3.567945      1.801371      2.769660
  O      -3.546619      1.816893      4.066641
  C      -4.812587      1.586945      2.078222
  N      -5.865794      1.388073      2.902580
  C      -7.058063      1.143540      2.341401
  N      -7.352333      1.090047      1.047894
  C      -6.316216      1.308341      0.186692
  C      -6.593658      1.275267     -1.202479
  C      -5.588624      1.485330     -2.122658
  C      -4.274136      1.744133     -1.681680
  C      -3.973238      1.790047     -0.332290
  C      -4.975901      1.568056      0.641310
  C      -4.283101     -0.258343      6.264632
  C      -5.384067     -0.092802      7.306314
  O      -5.933131      1.245519      7.287957
  C      -7.054878      1.405388      6.541388
  O      -7.561778      0.510329      5.889767
  C      -7.597481      2.812340      6.648958
  N      -6.947323      3.628191      7.468735
  C      -7.413187      4.894427      7.583879
  N      -8.437697      5.430818      6.952403
  C      -9.122966      4.611107      6.107084
  C     -10.232932      5.146688      5.407542
  C     -10.966574      4.346313      4.559886
  C     -10.618636      2.985685      4.385116
  C      -9.539295      2.435417      5.045423
  C      -8.753080      3.233343      5.918841
  H      -3.309167      4.026142      8.520011
  H      -4.241887      3.139926      7.305588
  H      -3.040961      5.850913      6.565088
  H      -4.582459      5.697479      7.474707
  H      -8.406486      4.388581      3.174499
  H      -6.598615      4.767373     -1.004468
  H      -4.317281      5.254492     -1.909525
  H      -2.425056      5.678379     -0.349928
  H      -2.775878      5.655027      2.095609
  H      -2.239161     -0.415024      3.444737
  H      -0.544766     -0.678704      3.028861
  H      -1.715083      0.315057      1.159054
  H      -0.489019      1.477170      1.759900
  H      -7.881915      0.973949      3.040738
  H      -7.622792      1.079873     -1.505599
  H      -5.807899      1.455939     -3.191120
  H      -3.484532      1.922683     -2.413462
  H      -2.961029      2.028392     -0.020333
  H      -4.661440      0.095594      5.295017
  H      -4.072661     -1.340687      6.166895
  H      -6.184151     -0.818658      7.109949
  H      -5.008885     -0.227496      8.329184
  H      -6.871024      5.538797      8.283315
  H     -10.477866      6.196631      5.570538
  H     -11.821406      4.758007      4.021189
  H     -11.211801      2.362272      3.714492
  H      -9.283899      1.388336      4.911158
  N      -1.105342      3.852405      4.104482
  H      -1.591334      4.737823      4.284803
  H      -1.262790      3.604786      3.124583
  H      -0.104773      4.006579      4.239498
99
Coordinates from ORCA-job orca E -6652.855519819993
  N      -2.163673      3.355741      6.888831
  Mo     -2.184669      1.873784      5.546817
  N      -3.043157      0.456430      6.597638
  C      -2.254751     -0.217825      7.644440
  C      -1.169132      0.711630      8.175568
  N      -0.481166      1.371457      7.025114
  C       0.135713      2.682728      7.377478
  C      -0.966054      3.711230      7.645882
  C       0.510061      0.468864      6.370126
  C       0.507600      0.757409      4.870512
  N      -0.887611      0.841430      4.451308
  H      -0.592552      4.721775      7.396876
  H      -1.221732      3.731940      8.721553
  H       0.745192      2.982538      6.514106
  H       0.809972      2.575449      8.243038
  H       1.032138     -0.048239      4.332789
  H       1.054480      1.695203      4.656208
  H       0.183049     -0.565532      6.535399
  H       1.503483      0.600255      6.827727
  H      -2.896710     -0.528188      8.485289
  H      -1.813610     -1.145126      7.227756
  H      -1.627166      1.501672      8.783188
  H      -0.440833      0.168275      8.799111
  C      -3.411970      3.880213      7.444961
  C      -3.866786      5.187019      6.804693
  O      -4.610517      4.883198      5.600280
  C      -4.210010      5.412699      4.434987
  O      -3.185173      6.065097      4.281786
  C      -5.201976      5.104902      3.337227
  N      -6.422109      4.779605      3.742686
  C      -7.354359      4.549555      2.786682
  N      -7.186673      4.614928      1.479500
  C      -5.936233      4.933408      1.041170
  C      -5.709617      5.002193     -0.355469
  C      -4.455853      5.306165     -0.835080
  C      -3.386154      5.550020      0.059162
  C      -3.573828      5.498981      1.424543
  C      -4.855874      5.195829      1.954589
  C      -1.299004      0.116947      3.250680
  C      -1.447735      0.981008      2.000756
  O      -2.434222      2.058567      2.109064
  C      -3.585750      1.798963      2.784498
  O      -3.556709      1.821082      4.080547
  C      -4.831060      1.558924      2.101763
  N      -5.871466      1.327325      2.933207
  C      -7.064480      1.067411      2.380044
  N      -7.371254      1.032064      1.088983
  C      -6.347306      1.278949      0.220989
  C      -6.637677      1.261534     -1.165649
  C      -5.643726      1.494173     -2.092434
  C      -4.328044      1.761858     -1.660560
  C      -4.015189      1.796110     -0.313630
  C      -5.006431      1.551360      0.666323
  C      -4.288606     -0.250823      6.276940
  C      -5.385657     -0.080685      7.322253
  O      -5.938823      1.255880      7.294300
  C      -7.065805      1.404293      6.553613
  O      -7.575713      0.500388      5.916680
  C      -7.609742      2.811887      6.645575
  N      -6.966122      3.635325      7.462832
  C      -7.431272      4.903347      7.560045
  N      -8.445743      5.435918      6.909466
  C      -9.124981      4.607810      6.067322
  C     -10.224136      5.138576      5.347462
  C     -10.953053      4.329271      4.504247
  C     -10.611900      2.963861      4.355343
  C      -9.542257      2.418238      5.035046
  C      -8.759502      3.226009      5.902532
  H      -3.284067      4.047187      8.530309
  H      -4.230264      3.148413      7.334608
  H      -3.028101      5.854378      6.569074
  H      -4.576018      5.701110      7.467781
  H      -8.351932      4.287046      3.147844
  H      -6.549878      4.795893     -1.018711
  H      -4.279418      5.352790     -1.910721
  H      -2.398962      5.788137     -0.340407
  H      -2.752189      5.712790      2.103797
  H      -2.252198     -0.407428      3.434193
  H      -0.559176     -0.666474      3.010272
  H      -1.735688      0.338311      1.151534
  H      -0.512039      1.500849      1.756890
  H      -7.877103      0.870708      3.085293
  H      -7.667256      1.058847     -1.461814
  H      -5.872959      1.475843     -3.159044
  H      -3.547242      1.957711     -2.397309
  H      -3.002848      2.042676     -0.008406
  H      -4.669558      0.102427      5.307969
  H      -4.080267     -1.333582      6.180074
  H      -6.184643     -0.810301      7.135974
  H      -5.005272     -0.205049      8.344505
  H      -6.896932      5.553284      8.260304
  H     -10.465249      6.192103      5.491971
  H     -11.799702      4.737266      3.950057
  H     -11.202190      2.332971      3.689201
  H      -9.291179      1.367951      4.919525
  N      -1.106670      3.855129      4.107481
  H      -1.580476      4.744967      4.297596
  H      -1.273448      3.617787      3.126617
  H      -0.103567      3.997854      4.236461
99
Coordinates from ORCA-job orca E -6652.855613824777
  N      -2.161098      3.354223      6.898198
  Mo     -2.189932      1.875426      5.552931
  N      -3.045659      0.458003      6.605936
  C      -2.253783     -0.220022      7.647245
  C      -1.162601      0.705186      8.173623
  N      -0.480527      1.367015      7.020470
  C       0.139301      2.676450      7.374970
  C      -0.959506      3.706108      7.650377
  C       0.505850      0.465474      6.357256
  C       0.497525      0.760031      4.858976
  N      -0.899115      0.846618      4.445417
  H      -0.585070      4.716518      7.401649
  H      -1.209993      3.726057      8.727308
  H       0.748023      2.978402      6.511874
  H       0.814841      2.564550      8.238984
  H       1.019306     -0.044086      4.316235
  H       1.044696      1.698008      4.646337
  H       0.177545     -0.568949      6.519907
  H       1.501724      0.592998      6.810735
  H      -2.891989     -0.529859      8.491244
  H      -1.817682     -1.148143      7.227042
  H      -1.615025      1.494548      8.786102
  H      -0.431521      0.158671      8.791076
  C      -3.405467      3.884034      7.458096
  C      -3.863243      5.183864      6.807030
  O      -4.592326      4.866303      5.597051
  C      -4.197848      5.412301      4.437215
  O      -3.188133      6.090192      4.295332
  C      -5.172021      5.084415      3.329007
  N      -6.383576      4.714335      3.721268
  C      -7.302056      4.468297      2.755707
  N      -7.129516      4.562242      1.450984
  C      -5.886608      4.925167      1.025618
  C      -5.654538      5.022859     -0.368132
  C      -4.406450      5.366864     -0.835550
  C      -3.348130      5.622090      0.068638
  C      -3.542038      5.545267      1.432152
  C      -4.819185      5.202944      1.949746
  C      -1.313429      0.129552      3.241559
  C      -1.471195      1.001339      1.997709
  O      -2.463284      2.072893      2.118612
  C      -3.607279      1.796941      2.800586
  O      -3.570187      1.822398      4.095443
  C      -4.852557      1.530566      2.127338
  N      -5.876973      1.259710      2.966374
  C      -7.070300      0.981662      2.422297
  N      -7.391919      0.966122      1.134542
  C      -6.383593      1.249377      0.259326
  C      -6.690050      1.252555     -1.123779
  C      -5.711239      1.518952     -2.057566
  C      -4.395311      1.801774     -1.636133
  C      -4.067310      1.818378     -0.292548
  C      -5.042988      1.539579      0.694007
  C      -4.293590     -0.247210      6.289872
  C      -5.386130     -0.071155      7.338915
  O      -5.941230      1.264538      7.300398
  C      -7.074308      1.402896      6.567402
  O      -7.592022      0.489700      5.950259
  C      -7.613314      2.813547      6.638492
  N      -6.968963      3.646037      7.445888
  C      -7.426709      4.918287      7.519904
  N      -8.431149      5.447776      6.851443
  C      -9.111262      4.610187      6.019342
  C     -10.199792      5.136995      5.280782
  C     -10.930564      4.318055      4.448625
  C     -10.602527      2.946477      4.330313
  C      -9.542672      2.404447      5.028027
  C      -8.757293      3.222278      5.883679
  H      -3.270354      4.062507      8.540620
  H      -4.224415      3.151110      7.360123
  H      -3.026874      5.855458      6.575489
  H      -4.581783      5.697304      7.460688
  H      -8.291950      4.165305      3.106086
  H      -6.485091      4.803586     -1.039431
  H      -4.225408      5.435556     -1.909303
  H      -2.364968      5.891032     -0.321161
  H      -2.729525      5.768062      2.119393
  H      -2.264202     -0.399308      3.425217
  H      -0.572231     -0.649771      2.992407
  H      -1.759532      0.362638      1.145591
  H      -0.539406      1.527845      1.753361
  H      -7.868292      0.748948      3.133352
  H      -7.719498      1.038295     -1.411692
  H      -5.952823      1.516064     -3.121596
  H      -3.626634      2.023827     -2.378154
  H      -3.056006      2.078116      0.005241
  H      -4.677443      0.104542      5.321390
  H      -4.087483     -1.330543      6.195012
  H      -6.185002     -0.803476      7.163354
  H      -5.000404     -0.185268      8.360357
  H      -6.894113      5.575453      8.214704
  H     -10.431918      6.195383      5.402808
  H     -11.769115      4.723087      3.880134
  H     -11.194820      2.307816      3.673423
  H      -9.300927      1.349786      4.935183
  N      -1.117150      3.860460      4.114324
  H      -1.578945      4.753929      4.316252
  H      -1.295385      3.634863      3.132648
  H      -0.111451      3.992215      4.234643
99
Coordinates from ORCA-job orca E -6652.855727342974
  N      -2.163674      3.351487      6.906832
  Mo     -2.197667      1.876177      5.557794
  N      -3.047670      0.456073      6.612230
  C      -2.251436     -0.224286      7.648106
  C      -1.155960      0.698177      8.170206
  N      -0.481019      1.365090      7.015120
  C       0.138746      2.673690      7.373166
  C      -0.960582      3.700172      7.657943
  C       0.502097      0.466815      6.343578
  C       0.487711      0.767462      4.846911
  N      -0.910485      0.852948      4.438930
  H      -0.588067      4.712726      7.414064
  H      -1.207425      3.714747      8.735714
  H       0.745995      2.980202      6.510804
  H       0.815499      2.557788      8.235797
  H       1.008904     -0.033785      4.299307
  H       1.032989      1.706967      4.636228
  H       0.174112     -0.568252      6.502898
  H       1.500360      0.591577      6.792796
  H      -2.885385     -0.533502      8.495716
  H      -1.819703     -1.153127      7.224969
  H      -1.604040      1.485069      8.788775
  H      -0.420722      0.149241      8.780422
  C      -3.406050      3.883151      7.470459
  C      -3.869788      5.175451      6.810025
  O      -4.582933      4.844834      5.594018
  C      -4.193347      5.407419      4.440164
  O      -3.198430      6.108912      4.310683
  C      -5.149101      5.062149      3.320765
  N      -6.351267      4.649527      3.698512
  C      -7.255183      4.389263      2.722625
  N      -7.078420      4.513621      1.421128
  C      -5.843864      4.919281      1.009983
  C      -5.607169      5.047398     -0.380277
  C      -4.364922      5.427915     -0.835056
  C      -3.317215      5.688554      0.079256
  C      -3.516631      5.584457      1.440456
  C      -4.788961      5.207459      1.945232
  C      -1.325263      0.142596      3.231711
  C      -1.492759      1.021413      1.993641
  O      -2.490788      2.086362      2.126778
  C      -3.627996      1.792505      2.813815
  O      -3.584530      1.820003      4.107371
  C      -4.871283      1.499794      2.147912
  N      -5.879436      1.188656      2.992397
  C      -7.071565      0.891424      2.455445
  N      -7.406527      0.894014      1.171030
  C      -6.413692      1.213719      0.290726
  C      -6.734913      1.237041     -1.088715
  C      -5.771273      1.538439     -2.027465
  C      -4.456341      1.838509     -1.614417
  C      -4.114672      1.838525     -0.274207
  C      -5.075043      1.524585      0.716907
  C      -4.299087     -0.246626      6.303360
  C      -5.385211     -0.061813      7.357607
  O      -5.939965      1.274112      7.308599
  C      -7.081726      1.403940      6.587906
  O      -7.612535      0.481749      5.995703
  C      -7.612168      2.818765      6.637392
  N      -6.966095      3.658258      7.436081
  C      -7.413780      4.935147      7.487500
  N      -8.406146      5.463688      6.800342
  C      -9.087622      4.619002      5.976525
  C     -10.163672      5.144134      5.218771
  C     -10.897048      4.318055      4.396179
  C     -10.584663      2.940665      4.307052
  C      -9.536558      2.399917      5.023302
  C      -8.748183      3.225001      5.869275
  H      -3.265142      4.072074      8.550246
  H      -4.223739      3.147320      7.383236
  H      -3.037231      5.853476      6.583873
  H      -4.598674      5.685607      7.454813
  H      -8.235461      4.044222      3.060706
  H      -6.428707      4.818671     -1.059508
  H      -4.180033      5.519984     -1.906441
  H      -2.337856      5.985212     -0.299836
  H      -2.712394      5.812735      2.135355
  H      -2.272723     -0.392638      3.414613
  H      -0.581214     -0.631291      2.974366
  H      -1.780877      0.385792      1.139129
  H      -0.565519      1.555489      1.748614
  H      -7.854733      0.623018      3.170341
  H      -7.763541      1.010297     -1.369371
  H      -6.024008      1.550704     -3.088826
  H      -3.699722      2.087985     -2.360072
  H      -3.105517      2.113265      0.017546
  H      -4.686901      0.102329      5.335317
  H      -4.096120     -1.330883      6.212382
  H      -6.185710     -0.795211      7.194729
  H      -4.992494     -0.165751      8.377458
  H      -6.883040      5.597770      8.178493
  H     -10.384940      6.207109      5.319397
  H     -11.726046      4.721948      3.813046
  H     -11.179344      2.296314      3.657923
  H      -9.306357      1.341028      4.952555
  N      -1.131833      3.864970      4.121349
  H      -1.577277      4.763179      4.337002
  H      -1.327115      3.652444      3.139777
  H      -0.122603      3.982284      4.226613
99
Coordinates from ORCA-job orca E -6652.855797264699
  N      -2.164659      3.349335      6.916566
  Mo     -2.206104      1.877558      5.563993
  N      -3.048888      0.454417      6.620365
  C      -2.246569     -0.228428      7.649409
  C      -1.146778      0.691479      8.166417
  N      -0.480266      1.363653      7.008957
  C       0.139888      2.671397      7.369961
  C      -0.959560      3.694694      7.665587
  C       0.498784      0.468650      6.327745
  C       0.476015      0.775013      4.832600
  N      -0.924415      0.859673      4.432314
  H      -0.589239      4.709242      7.426118
  H      -1.201416      3.703445      8.744496
  H       0.743847      2.982647      6.507102
  H       0.819550      2.551661      8.229831
  H       0.995583     -0.023406      4.279333
  H       1.019076      1.715959      4.622666
  H       0.171665     -0.567113      6.484454
  H       1.499979      0.591053      6.771235
  H      -2.875036     -0.538029      8.501107
  H      -1.819121     -1.157311      7.222107
  H      -1.590032      1.475657      8.791641
  H      -0.406716      0.140115      8.768474
  C      -3.405031      3.884142      7.482460
  C      -3.871841      5.170504      6.813606
  O      -4.569380      4.829265      5.591422
  C      -4.184359      5.408135      4.443717
  O      -3.204540      6.132472      4.326925
  C      -5.119799      5.045191      3.312431
  N      -6.313068      4.594628      3.674048
  C      -7.201013      4.321299      2.686784
  N      -7.018623      4.473051      1.389039
  C      -5.791851      4.916613      0.993858
  C      -5.548582      5.072245     -0.392243
  C      -4.311528      5.486023     -0.832281
  C      -3.276008      5.752925      0.093598
  C      -3.483125      5.624760      1.451838
  C      -4.750952      5.215032      1.941538
  C      -1.342296      0.155681      3.222798
  C      -1.520983      1.041041      1.990501
  O      -2.523709      2.100165      2.137008
  C      -3.653302      1.789967      2.830381
  O      -3.601502      1.819022      4.122658
  C      -4.895676      1.474376      2.173320
  N      -5.887414      1.129966      3.024278
  C      -7.079648      0.817204      2.496093
  N      -7.429349      0.834454      1.215727
  C      -6.452703      1.185581      0.329301
  C      -6.790046      1.225048     -1.045838
  C      -5.842488      1.557179     -1.990464
  C      -4.528036      1.873086     -1.587529
  C      -4.170926      1.858339     -0.251482
  C      -5.114843      1.513371      0.745133
  C      -4.302505     -0.247788      6.319302
  C      -5.382938     -0.053469      7.377458
  O      -5.937886      1.282060      7.315211
  C      -7.087349      1.401815      6.605443
  O      -7.629667      0.470087      6.039079
  C      -7.610650      2.819730      6.630669
  N      -6.965598      3.667674      7.421176
  C      -7.406144      4.947731      7.449245
  N      -8.387465      5.472082      6.743067
  C      -9.067628      4.618612      5.927171
  C     -10.132278      5.138511      5.149988
  C     -10.865108      4.303534      4.336002
  C     -10.563528      2.922231      4.274774
  C      -9.525962      2.386286      5.009774
  C      -8.738269      3.220385      5.847525
  H      -3.259693      4.081863      8.559908
  H      -4.222490      3.146883      7.403815
  H      -3.041989      5.853753      6.593539
  H      -4.610324      5.678008      7.449690
  H      -8.172110      3.939553      3.011321
  H      -6.360178      4.835211     -1.080569
  H      -4.121256      5.599377     -1.900719
  H      -2.299940      6.074764     -0.273211
  H      -2.688295      5.858400      2.155552
  H      -2.286463     -0.385083      3.407010
  H      -0.596359     -0.613323      2.956536
  H      -1.810855      0.408358      1.134376
  H      -0.598211      1.581629      1.743010
  H      -7.847145      0.516304      3.215091
  H      -7.818104      0.986288     -1.318092
  H      -6.107526      1.582124     -3.048591
  H      -3.784314      2.146781     -2.337624
  H      -3.163367      2.146413      0.032969
  H      -4.693856      0.096217      5.350845
  H      -4.101512     -1.332839      6.234167
  H      -6.184490     -0.788462      7.227817
  H      -4.983873     -0.145532      8.396003
  H      -6.878348      5.617679      8.135428
  H     -10.346056      6.204796      5.229722
  H     -11.685500      4.703489      3.738163
  H     -11.157817      2.270884      3.632302
  H      -9.303679      1.324501      4.960351
  N      -1.148561      3.869655      4.129086
  H      -1.575422      4.772860      4.360340
  H      -1.364582      3.670851      3.148751
  H      -0.135787      3.970866      4.215653
99
Coordinates from ORCA-job orca E -6652.855724199379
  N      -2.186415      3.345202      6.913305
  Mo     -2.221214      1.874724      5.559111
  N      -3.048696      0.438713      6.612778
  C      -2.237436     -0.238529      7.638286
  C      -1.143330      0.687655      8.157161
  N      -0.485351      1.375108      7.002833
  C       0.122255      2.686669      7.370588
  C      -0.991940      3.691555      7.678181
  C       0.499233      0.489735      6.318278
  C       0.471882      0.796243      4.824449
  N      -0.930226      0.865646      4.427043
  H      -0.634249      4.714910      7.456657
  H      -1.237768      3.680439      8.755709
  H       0.720398      3.008999      6.508140
  H       0.803562      2.569055      8.229571
  H       0.999349      0.004038      4.269854
  H       1.004526      1.743069      4.614067
  H       0.179873     -0.548843      6.472319
  H       1.501322      0.616801      6.758879
  H      -2.860824     -0.550104      8.493308
  H      -1.807072     -1.165266      7.209774
  H      -1.591542      1.462406      8.790275
  H      -0.395120      0.139100      8.751425
  C      -3.435956      3.869639      7.473166
  C      -3.907478      5.157409      6.808718
  O      -4.599590      4.827292      5.580163
  C      -4.204428      5.412813      4.437186
  O      -3.218971      6.130064      4.329441
  C      -5.136226      5.062711      3.297895
  N      -6.340174      4.634614      3.649391
  C      -7.224277      4.374387      2.654565
  N      -7.030369      4.528158      1.359057
  C      -5.792824      4.948124      0.973447
  C      -5.537511      5.100194     -0.411050
  C      -4.289080      5.486018     -0.844460
  C      -3.254752      5.727890      0.088543
  C      -3.473581      5.603968      1.445626
  C      -4.752119      5.222488      1.928634
  C      -1.340332      0.158686      3.217537
  C      -1.525210      1.042080      1.984533
  O      -2.530550      2.098115      2.131833
  C      -3.662054      1.779030      2.822255
  O      -3.612497      1.804235      4.114157
  C      -4.899418      1.460086      2.159768
  N      -5.896172      1.115302      3.005781
  C      -7.083488      0.797549      2.469903
  N      -7.421688      0.800657      1.185894
  C      -6.440811      1.154249      0.305604
  C      -6.767209      1.184577     -1.072803
  C      -5.817630      1.528576     -2.010421
  C      -4.510820      1.864353     -1.597376
  C      -4.162908      1.853604     -0.258863
  C      -5.109605      1.496509      0.730662
  C      -4.303648     -0.268707      6.330455
  C      -5.371622     -0.055189      7.397284
  O      -5.918174      1.283937      7.328921
  C      -7.084714      1.402520      6.647818
  O      -7.653175      0.466713      6.114770
  C      -7.595721      2.824478      6.666610
  N      -6.952653      3.666465      7.465079
  C      -7.391670      4.946813      7.499519
  N      -8.370087      5.476296      6.792298
  C      -9.045822      4.629515      5.965849
  C     -10.109066      5.154402      5.189769
  C     -10.837418      4.325570      4.365600
  C     -10.530399      2.946180      4.289203
  C      -9.494576      2.405370      5.023094
  C      -8.714961      3.232248      5.875485
  H      -3.300556      4.062153      8.552451
  H      -4.248284      3.127562      7.383351
  H      -3.079708      5.846189      6.598449
  H      -4.650624      5.656751      7.445999
  H      -8.200200      3.999296      2.970002
  H      -6.351760      4.882739     -1.102781
  H      -4.090276      5.598294     -1.911351
  H      -2.268202      6.026250     -0.269963
  H      -2.677106      5.820611      2.151779
  H      -2.280016     -0.390390      3.400819
  H      -0.588198     -0.604488      2.951716
  H      -1.812837      0.405376      1.130580
  H      -0.605937      1.587544      1.734597
  H      -7.853596      0.490418      3.183049
  H      -7.790309      0.931767     -1.350875
  H      -6.073977      1.549036     -3.070769
  H      -3.765777      2.149441     -2.341888
  H      -3.161555      2.156239      0.032415
  H      -4.702125      0.059535      5.359618
  H      -4.103678     -1.355144      6.262453
  H      -6.181660     -0.784432      7.266522
  H      -4.958833     -0.139926      8.411026
  H      -6.866228      5.612521      8.191777
  H     -10.326123      6.219247      5.279641
  H     -11.656895      4.729553      3.769167
  H     -11.119198      2.300218      3.636288
  H      -9.270165      1.344322      4.965700
  N      -1.172891      3.864790      4.132067
  H      -1.574265      4.776135      4.373757
  H      -1.421182      3.671359      3.157429
  H      -0.155737      3.943594      4.184066
99
Coordinates from ORCA-job orca E -6652.855875959543
  N      -2.174011      3.347619      6.914940
  Mo     -2.213322      1.878377      5.558718
  N      -3.053376      0.450241      6.611207
  C      -2.249454     -0.231815      7.639953
  C      -1.151357      0.688968      8.158524
  N      -0.486938      1.366184      7.002072
  C       0.131603      2.673020      7.367542
  C      -0.970563      3.693257      7.665623
  C       0.493561      0.473574      6.319758
  C       0.472778      0.783554      4.825978
  N      -0.927354      0.866865      4.423824
  H      -0.602874      4.709139      7.427873
  H      -1.211415      3.698481      8.744791
  H       0.734636      2.988218      6.505571
  H       0.810868      2.550927      8.227296
  H       0.994387     -0.012525      4.271296
  H       1.014729      1.725820      4.618925
  H       0.166139     -0.562644      6.472665
  H       1.494183      0.594348      6.765080
  H      -2.877623     -0.541449      8.491936
  H      -1.821593     -1.160321      7.212585
  H      -1.596036      1.470179      8.786278
  H      -0.409007      0.137906      8.758035
  C      -3.414344      3.881076      7.482873
  C      -3.881873      5.169069      6.817265
  O      -4.578863      4.834015      5.593374
  C      -4.193776      5.420201      4.448849
  O      -3.216139      6.147630      4.335802
  C      -5.128722      5.062256      3.315832
  N      -6.324183      4.615147      3.673651
  C      -7.210944      4.345540      2.684016
  N      -7.023392      4.495682      1.386653
  C      -5.792628      4.931908      0.995395
  C      -5.541092      5.079285     -0.390341
  C      -4.300982      5.489113     -0.826135
  C      -3.270816      5.761745      0.104280
  C      -3.485438      5.639717      1.461853
  C      -4.755151      5.231268      1.946622
  C      -1.339816      0.168179      3.209695
  C      -1.520262      1.059581      1.982053
  O      -2.531888      2.110142      2.131350
  C      -3.658625      1.784719      2.823970
  O      -3.606126      1.817224      4.115805
  C      -4.892382      1.441201      2.165673
  N      -5.876730      1.072798      3.015489
  C      -7.059126      0.728681      2.484954
  N      -7.406977      0.735653      1.203874
  C      -6.439548      1.114685      0.319240
  C      -6.775432      1.143218     -1.056782
  C      -5.838234      1.509204     -1.999005
  C      -4.535923      1.869104     -1.593020
  C      -4.178928      1.858867     -0.256908
  C      -5.111820      1.479009      0.737427
  C      -4.306521     -0.254029      6.313668
  C      -5.386092     -0.054351      7.371748
  O      -5.935803      1.283473      7.309340
  C      -7.094973      1.407515      6.616352
  O      -7.650032      0.478774      6.057466
  C      -7.612095      2.827511      6.650570
  N      -6.974979      3.662305      7.461224
  C      -7.414538      4.942386      7.503971
  N      -8.387301      5.478666      6.794841
  C      -9.057985      4.639079      5.957074
  C     -10.113018      5.172099      5.175617
  C     -10.836172      4.350887      4.339213
  C     -10.533197      2.970913      4.257706
  C      -9.504979      2.422624      4.996625
  C      -8.728358      3.242108      5.858622
  H      -3.267090      4.078416      8.560099
  H      -4.231589      3.143679      7.404573
  H      -3.052407      5.854029      6.601106
  H      -4.621674      5.672935      7.454846
  H      -8.184869      3.968974      3.005887
  H      -6.350136      4.840972     -1.081324
  H      -4.105114      5.598059     -1.894000
  H      -2.292374      6.081555     -0.257954
  H      -2.693772      5.876932      2.168402
  H      -2.282130     -0.377683      3.388836
  H      -0.590305     -0.596291      2.940575
  H      -1.802071      0.429453      1.121348
  H      -0.600908      1.608872      1.741002
  H      -7.819673      0.406261      3.201758
  H      -7.794313      0.868380     -1.331158
  H      -6.101834      1.527370     -3.057627
  H      -3.801365      2.171237     -2.341246
  H      -3.181729      2.179186      0.029536
  H      -4.696832      0.085387      5.343384
  H      -4.105539     -1.339375      6.233898
  H      -6.191288     -0.785995      7.225570
  H      -4.984746     -0.146405      8.389416
  H      -6.892872      5.601700      8.205116
  H     -10.327459      6.237062      5.270075
  H     -11.649231      4.761010      3.738227
  H     -11.119156      2.330557      3.596784
  H      -9.283008      1.361544      4.933518
  N      -1.154754      3.873485      4.132354
  H      -1.560033      4.784043      4.373499
  H      -1.392899      3.680849      3.155732
  H      -0.138702      3.953874      4.199083
99
Coordinates from ORCA-job orca E -6652.855755185587
  N      -2.161727      3.352346      6.923726
  Mo     -2.211896      1.881204      5.571682
  N      -3.047050      0.457957      6.632882
  C      -2.240379     -0.222064      7.660314
  C      -1.136111      0.698400      8.165554
  N      -0.477899      1.365588      7.001079
  C       0.145825      2.673772      7.356102
  C      -0.948810      3.698390      7.659481
  C       0.496014      0.469688      6.312747
  C       0.462156      0.776167      4.816940
  N      -0.940787      0.863543      4.426655
  H      -0.579397      4.712154      7.415795
  H      -1.182007      3.707873      8.740787
  H       0.742338      2.986411      6.488308
  H       0.833530      2.553888      8.209384
  H       0.976100     -0.023672      4.260354
  H       1.006490      1.715603      4.602945
  H       0.169329     -0.565757      6.472811
  H       1.499582      0.592694      6.750168
  H      -2.864876     -0.528454      8.516032
  H      -1.815767     -1.152990      7.234346
  H      -1.573114      1.485441      8.791774
  H      -0.392439      0.147496      8.763690
  C      -3.397209      3.892202      7.493617
  C      -3.859242      5.180942      6.826366
  O      -4.546527      4.837301      5.599053
  C      -4.157517      5.420930      4.455758
  O      -3.188417      6.161040      4.350178
  C      -5.073873      5.043329      3.313777
  N      -6.263598      4.572247      3.661114
  C      -7.138231      4.292290      2.664240
  N      -6.943924      4.448879      1.368575
  C      -5.719392      4.911528      0.988034
  C      -5.464064      5.077356     -0.394758
  C      -4.230477      5.516749     -0.818898
  C      -3.209580      5.799828      0.119152
  C      -3.428452      5.661348      1.474383
  C      -4.694291      5.225545      1.947928
  C      -1.368106      0.165521      3.216703
  C      -1.556520      1.055575      1.988793
  O      -2.559072      2.112899      2.148651
  C      -3.681420      1.796178      2.849190
  O      -3.620155      1.826785      4.140693
  C      -4.927035      1.472353      2.201108
  N      -5.905790      1.109202      3.059276
  C      -7.098032      0.780723      2.540860
  N      -7.462887      0.808026      1.265111
  C      -6.500134      1.178970      0.371350
  C      -6.853531      1.225690     -0.999477
  C      -5.919033      1.572048     -1.952275
  C      -4.603395      1.897093     -1.561603
  C      -4.231795      1.878300     -0.229581
  C      -5.161331      1.518018      0.775225
  C      -4.296405     -0.250973      6.329478
  C      -5.384700     -0.057191      7.379336
  O      -5.943604      1.275365      7.303143
  C      -7.099445      1.384161      6.602100
  O      -7.647396      0.444285      6.055108
  C      -7.620835      2.803203      6.608566
  N      -6.972422      3.661832      7.384819
  C      -7.408064      4.944013      7.391066
  N      -8.388670      5.459965      6.678251
  C      -9.072000      4.595389      5.876753
  C     -10.133315      5.106403      5.089429
  C     -10.867325      4.260907      4.287391
  C     -10.570987      2.877551      4.249776
  C      -9.536721      2.350064      4.995281
  C      -8.747312      3.195115      5.820021
  H      -3.246758      4.089329      8.570792
  H      -4.217648      3.158550      7.418110
  H      -3.028321      5.865092      6.612698
  H      -4.602929      5.686446      7.458160
  H      -8.111878      3.907859      2.978917
  H      -6.263150      4.828408     -1.093401
  H      -4.030702      5.637678     -1.884808
  H      -2.236690      6.143310     -0.236274
  H      -2.645907      5.907797      2.188213
  H      -2.310971     -0.375896      3.405451
  H      -0.624262     -0.602351      2.941371
  H      -1.854782      0.426781      1.132754
  H      -0.635633      1.596441      1.735177
  H      -7.855626      0.468303      3.266386
  H      -7.881601      0.977325     -1.262665
  H      -6.195709      1.600457     -3.007317
  H      -3.870810      2.183506     -2.317858
  H      -3.223697      2.173232      0.045911
  H      -4.683963      0.086511      5.357009
  H      -4.089853     -1.335197      6.249854
  H      -6.181750     -0.796569      7.227423
  H      -4.993025     -0.141636      8.401519
  H      -6.876074      5.623021      8.064944
  H     -10.342721      6.174755      5.150423
  H     -11.685352      4.653845      3.681771
  H     -11.166209      2.217937      3.616715
  H      -9.316972      1.287152      4.961845
  N      -1.156164      3.875104      4.128077
  H      -1.541803      4.785697      4.398826
  H      -1.426346      3.702743      3.156557
  H      -0.137682      3.943583      4.166426
99
Coordinates from ORCA-job orca E -6652.855987940758
  N      -2.172358      3.347695      6.923238
  Mo     -2.218540      1.881696      5.564600
  N      -3.052375      0.451686      6.618569
  C      -2.244267     -0.231165      7.643328
  C      -1.142812      0.688858      8.155750
  N      -0.485159      1.366027      6.995772
  C       0.135953      2.672846      7.359053
  C      -0.963305      3.693985      7.664525
  C       0.491373      0.474244      6.306071
  C       0.461956      0.786848      4.812570
  N      -0.940174      0.872946      4.418119
  H      -0.596603      4.709371      7.423246
  H      -1.197024      3.699967      8.745337
  H       0.733920      2.989288      6.493903
  H       0.820650      2.549629      8.214270
  H       0.979311     -0.009122      4.253714
  H       1.004711      1.728398      4.604044
  H       0.164777     -0.562177      6.459561
  H       1.494145      0.594818      6.746369
  H      -2.868896     -0.541412      8.497716
  H      -1.818553     -1.159519      7.213320
  H      -1.582847      1.470291      8.786562
  H      -0.397356      0.136769      8.750435
  C      -3.410228      3.882643      7.494207
  C      -3.877708      5.170267      6.828245
  O      -4.563940      4.831151      5.598904
  C      -4.177727      5.425377      4.458988
  O      -3.209122      6.166202      4.356652
  C      -5.096716      5.056515      3.315807
  N      -6.288825      4.591064      3.661855
  C      -7.165037      4.317162      2.664188
  N      -6.969511      4.476028      1.368954
  C      -5.741874      4.930777      0.989365
  C      -5.482915      5.091779     -0.393499
  C      -4.245624      5.521492     -0.817518
  C      -3.224871      5.800116      0.121555
  C      -3.447060      5.665522      1.476716
  C      -4.715192      5.237589      1.949916
  C      -1.359638      0.179891      3.202793
  C      -1.548819      1.076195      1.979617
  O      -2.560640      2.124556      2.140965
  C      -3.681221      1.792319      2.839614
  O      -3.621314      1.825238      4.130867
  C      -4.917937      1.442196      2.189907
  N      -5.892074      1.063143      3.046796
  C      -7.076001      0.710408      2.525582
  N      -7.434722      0.717873      1.247523
  C      -6.477399      1.106287      0.355698
  C      -6.825157      1.135528     -1.017298
  C      -5.897522      1.507837     -1.966688
  C      -4.594190      1.875028     -1.570857
  C      -4.226700      1.867066     -0.237551
  C      -5.149240      1.480638      0.763688
  C      -4.303948     -0.255422      6.321406
  C      -5.385589     -0.053971      7.376482
  O      -5.935681      1.282849      7.304305
  C      -7.098719      1.399337      6.617167
  O      -7.659754      0.463743      6.076062
  C      -7.613105      2.820687      6.634245
  N      -6.978586      3.663327      7.438967
  C      -7.417269      4.944290      7.466224
  N      -8.387305      5.473705      6.748377
  C      -9.054620      4.626041      5.915960
  C     -10.105962      5.151474      5.124537
  C     -10.825160      4.322167      4.292691
  C     -10.521899      2.941428      4.226066
  C      -9.497180      2.400377      4.975083
  C      -8.725245      3.228125      5.833233
  H      -3.260026      4.080729      8.571017
  H      -4.228116      3.145749      7.418361
  H      -3.049226      5.858121      6.617638
  H      -4.623310      5.671246      7.461313
  H      -8.137157      3.928435      2.977208
  H      -6.283618      4.847645     -1.092064
  H      -4.043912      5.640541     -1.883255
  H      -2.248645      6.135768     -0.232150
  H      -2.663711      5.907853      2.190082
  H      -2.300351     -0.367657      3.385329
  H      -0.611052     -0.582594      2.925594
  H      -1.836430      0.449574      1.118294
  H      -0.631499      1.626985      1.734446
  H      -7.827209      0.377766      3.248038
  H      -7.844217      0.854447     -1.284000
  H      -6.169761      1.525158     -3.023126
  H      -3.867878      2.183264     -2.324589
  H      -3.228942      2.192727      0.041513
  H      -4.693936      0.080242      5.349462
  H      -4.100871     -1.340597      6.245004
  H      -6.189422     -0.787253      7.230890
  H      -4.986991     -0.141059      8.395817
  H      -6.899707      5.609451      8.164738
  H     -10.320640      6.217341      5.207322
  H     -11.635432      4.726363      3.684004
  H     -11.104360      2.294788      3.568193
  H      -9.274355      1.338871      4.922390
  N      -1.163472      3.880862      4.136465
  H      -1.549897      4.793893      4.395843
  H      -1.426445      3.700801      3.163801
  H      -0.145101      3.946401      4.180177
99
Coordinates from ORCA-job orca E -6652.856048419524
  N      -2.177398      3.344848      6.929380
  Mo     -2.226936      1.883727      5.565482
  N      -3.054521      0.449030      6.617787
  C      -2.242051     -0.235418      7.637992
  C      -1.139326      0.684143      8.148375
  N      -0.487791      1.366089      6.987485
  C       0.133220      2.672449      7.352721
  C      -0.966715      3.689956      7.668166
  C       0.487166      0.477650      6.291115
  C       0.452694      0.795668      4.799045
  N      -0.950681      0.882356      4.408802
  H      -0.603103      4.707356      7.430450
  H      -1.196053      3.689949      8.749910
  H       0.725614      2.993297      6.485411
  H       0.822660      2.547094      8.203797
  H       0.968917      0.002102      4.235726
  H       0.994634      1.738121      4.592205
  H       0.161796     -0.559584      6.441760
  H       1.491299      0.597260      6.728599
  H      -2.863547     -0.547746      8.494000
  H      -1.817589     -1.162619      7.204334
  H      -1.577318      1.463053      8.783639
  H      -0.390272      0.131129      8.737602
  C      -3.414186      3.879893      7.502759
  C      -3.882275      5.166970      6.836582
  O      -4.560848      4.826673      5.603296
  C      -4.176532      5.431752      4.468217
  O      -3.216890      6.184957      4.374150
  C      -5.085031      5.057420      3.318404
  N      -6.273075      4.575622      3.655546
  C      -7.140323      4.295398      2.651752
  N      -6.939294      4.462663      1.358274
  C      -5.715057      4.933747      0.987805
  C      -5.449326      5.103044     -0.392887
  C      -4.214796      5.549510     -0.807773
  C      -3.203313      5.837246      0.138606
  C      -3.432405      5.694770      1.491843
  C      -4.697793      5.248829      1.955528
  C      -1.371206      0.195859      3.190217
  C      -1.568019      1.098762      1.972916
  O      -2.585613      2.140093      2.144146
  C      -3.699843      1.793557      2.846767
  O      -3.635028      1.828242      4.137276
  C      -4.932264      1.419706      2.202455
  N      -5.893365      1.016006      3.063042
  C      -7.071225      0.637464      2.546334
  N      -7.436045      0.640050      1.269849
  C      -6.492643      1.054314      0.374842
  C      -6.847470      1.079993     -0.996475
  C      -5.934090      1.480287     -1.948292
  C      -4.638884      1.879785     -1.556645
  C      -4.264465      1.874118     -0.225253
  C      -5.171805      1.458555      0.777986
  C      -4.306694     -0.258704      6.324561
  C      -5.386342     -0.051841      7.380437
  O      -5.933941      1.285871      7.301964
  C      -7.104707      1.400678      6.628132
  O      -7.678129      0.462605      6.104551
  C      -7.612106      2.824579      6.637536
  N      -6.986626      3.663341      7.453323
  C      -7.422997      4.945259      7.478343
  N      -8.380910      5.479228      6.747587
  C      -9.037526      4.635877      5.902308
  C     -10.075585      5.166205      5.096688
  C     -10.783972      4.341234      4.251345
  C     -10.482014      2.960253      4.183870
  C      -9.469922      2.414602      4.946581
  C      -8.710405      3.237445      5.820391
  H      -3.261878      4.079197      8.579016
  H      -4.232035      3.142689      7.428790
  H      -3.054676      5.857227      6.630630
  H      -4.632032      5.665376      7.466744
  H      -8.108722      3.892101      2.957758
  H      -6.242925      4.852309     -1.097211
  H      -4.008315      5.676005     -1.871749
  H      -2.229268      6.186733     -0.207590
  H      -2.656645      5.944645      2.210945
  H      -2.309310     -0.356565      3.372039
  H      -0.620612     -0.561984      2.905932
  H      -1.854234      0.475688      1.108578
  H      -0.654593      1.656503      1.728965
  H      -7.810132      0.282648      3.270895
  H      -7.860237      0.773778     -1.259708
  H      -6.211501      1.495467     -3.003410
  H      -3.924950      2.211668     -2.312161
  H      -3.274151      2.224411      0.051110
  H      -4.698102      0.073336      5.351894
  H      -4.104075     -1.344212      6.252178
  H      -6.191732     -0.784291      7.239689
  H      -4.985869     -0.134975      8.399446
  H      -6.914028      5.607192      8.186213
  H     -10.289286      6.232257      5.179723
  H     -11.584144      4.749234      3.631922
  H     -11.055098      2.317167      3.514375
  H      -9.248940      1.352789      4.893939
  N      -1.177328      3.890100      4.142880
  H      -1.553342      4.805788      4.407300
  H      -1.451668      3.713297      3.172598
  H      -0.157998      3.946467      4.175228
99
Coordinates from ORCA-job orca E -6652.856154394546
  N      -2.188709      3.342250      6.928855
  Mo     -2.238375      1.885113      5.561374
  N      -3.053208      0.441733      6.611093
  C      -2.233864     -0.237966      7.629680
  C      -1.134098      0.687549      8.137056
  N      -0.490688      1.373452      6.974381
  C       0.127036      2.682623      7.334889
  C      -0.977578      3.691188      7.664676
  C       0.485664      0.489033      6.273763
  C       0.443159      0.806370      4.781859
  N      -0.962104      0.891247      4.397103
  H      -0.622567      4.712688      7.432037
  H      -1.201620      3.680830      8.747384
  H       0.704118      3.007905      6.458995
  H       0.828996      2.561934      8.176357
  H       0.958236      0.013632      4.216346
  H       0.983355      1.749371      4.571915
  H       0.166068     -0.549733      6.426212
  H       1.490913      0.613894      6.707044
  H      -2.852346     -0.552773      8.486983
  H      -1.806211     -1.163042      7.194725
  H      -1.573277      1.464004      8.774673
  H      -0.379652      0.137851      8.722493
  C      -3.427886      3.869746      7.503790
  C      -3.892856      5.166686      6.853700
  O      -4.573635      4.843313      5.616932
  C      -4.178653      5.450726      4.486215
  O      -3.214351      6.198448      4.398291
  C      -5.086274      5.089402      3.331840
  N      -6.282191      4.623028      3.662926
  C      -7.143392      4.343962      2.653813
  N      -6.928476      4.496710      1.360505
  C      -5.697984      4.955536      0.997383
  C      -5.417033      5.111687     -0.382468
  C      -4.176955      5.550188     -0.788882
  C      -3.174285      5.844851      0.165316
  C      -3.417711      5.713350      1.516885
  C      -4.687924      5.271696      1.971488
  C      -1.385308      0.205362      3.179255
  C      -1.588529      1.108819      1.963632
  O      -2.606176      2.148731      2.139518
  C      -3.718664      1.801675      2.845601
  O      -3.651697      1.833672      4.136283
  C      -4.951228      1.424704      2.204099
  N      -5.915661      1.032144      3.067190
  C      -7.086355      0.633211      2.550592
  N      -7.440439      0.597582      1.271076
  C      -6.496466      1.006605      0.374292
  C      -6.839740      0.994239     -1.000414
  C      -5.928647      1.399807     -1.952247
  C      -4.647860      1.841303     -1.557781
  C      -4.283120      1.866340     -0.223806
  C      -5.186135      1.441870      0.779022
  C      -4.302109     -0.274013      6.322707
  C      -5.383248     -0.061098      7.375574
  O      -5.927770      1.277697      7.289902
  C      -7.115544      1.391762      6.646307
  O      -7.713053      0.452021      6.153511
  C      -7.611432      2.819288      6.650508
  N      -6.995045      3.649776      7.481458
  C      -7.432576      4.931471      7.514103
  N      -8.385079      5.471214      6.780334
  C      -9.029112      4.636960      5.916412
  C     -10.059469      5.174162      5.105264
  C     -10.751394      4.358755      4.237124
  C     -10.437956      2.981408      4.149093
  C      -9.434295      2.429316      4.918194
  C      -8.695057      3.241363      5.819035
  H      -3.280922      4.053182      8.583797
  H      -4.245260      3.133676      7.415112
  H      -3.063343      5.856504      6.653963
  H      -4.640138      5.660095      7.490512
  H      -8.119378      3.956295      2.955054
  H      -6.205780      4.861945     -1.092486
  H      -3.960051      5.668713     -1.851674
  H      -2.196439      6.190381     -0.174044
  H      -2.649475      5.969816      2.242227
  H      -2.321199     -0.349918      3.364315
  H      -0.633626     -0.550095      2.891488
  H      -1.877362      0.485858      1.100159
  H      -0.676674      1.667840      1.716487
  H      -7.831283      0.297196      3.277473
  H      -7.842238      0.656924     -1.265682
  H      -6.197113      1.388101     -3.009714
  H      -3.937885      2.181139     -2.313554
  H      -3.304341      2.246207      0.055045
  H      -4.694538      0.046755      5.346665
  H      -4.095239     -1.359328      6.261212
  H      -6.190066     -0.791907      7.235133
  H      -4.984770     -0.142903      8.395627
  H      -6.926541      5.588451      8.228831
  H     -10.279937      6.237751      5.201341
  H     -11.545805      4.771979      3.613746
  H     -10.995114      2.346601      3.458565
  H      -9.207330      1.369612      4.852139
  N      -1.190739      3.897316      4.140895
  H      -1.561734      4.816565      4.399211
  H      -1.477427      3.705772      3.176742
  H      -0.170843      3.948720      4.157577
99
Coordinates from ORCA-job orca E -6652.856240787778
  N      -2.183774      3.340781      6.933729
  Mo     -2.241908      1.887113      5.563471
  N      -3.051774      0.442700      6.614535
  C      -2.229428     -0.238128      7.629611
  C      -1.124563      0.685336      8.129673
  N      -0.487701      1.370405      6.963017
  C       0.133869      2.678561      7.321633
  C      -0.967016      3.687584      7.661012
  C       0.483073      0.485637      6.255016
  C       0.432724      0.806407      4.763889
  N      -0.974285      0.895529      4.386965
  H      -0.612490      4.709006      7.427643
  H      -1.183662      3.675742      8.745392
  H       0.705176      3.005986      6.442742
  H       0.841644      2.555243      8.157827
  H       0.942608      0.013273      4.194156
  H       0.974830      1.748162      4.552940
  H       0.162412     -0.552807      6.407505
  H       1.490816      0.608132      6.683034
  H      -2.844716     -0.550818      8.489998
  H      -1.806127     -1.164712      7.193495
  H      -1.557890      1.462676      8.770174
  H      -0.367412      0.134094      8.710152
  C      -3.418644      3.867767      7.517216
  C      -3.884157      5.166912      6.872675
  O      -4.558236      4.845772      5.631482
  C      -4.161598      5.461970      4.506331
  O      -3.203671      6.218842      4.428498
  C      -5.057035      5.096031      3.343718
  N      -6.249881      4.614835      3.664543
  C      -7.100880      4.330435      2.648338
  N      -6.878218      4.489677      1.357057
  C      -5.651708      4.967067      1.004485
  C      -5.365082      5.137463     -0.372593
  C      -4.129207      5.596528     -0.768599
  C      -3.135845      5.897361      0.193440
  C      -3.385166      5.752798      1.542573
  C      -4.652153      5.290865      1.986750
  C      -1.405183      0.215864      3.168113
  C      -1.616021      1.124820      1.957707
  O      -2.633901      2.162477      2.145719
  C      -3.740034      1.808100      2.857863
  O      -3.665159      1.841475      4.147785
  C      -4.972657      1.417004      2.224114
  N      -5.925130      1.008053      3.093011
  C      -7.092459      0.590646      2.583310
  N      -7.453325      0.548089      1.305929
  C      -6.521508      0.972200      0.403450
  C      -6.872591      0.953849     -0.969155
  C      -5.973773      1.374228     -1.926272
  C      -4.698660      1.838139     -1.539326
  C      -4.327167      1.871170     -0.207404
  C      -5.216969      1.431142      0.800619
  C      -4.302149     -0.271750      6.328688
  C      -5.384706     -0.049136      7.377994
  O      -5.928514      1.288803      7.275275
  C      -7.127192      1.393560      6.650818
  O      -7.736708      0.446891      6.186968
  C      -7.619230      2.822290      6.634031
  N      -7.007383      3.661909      7.459108
  C      -7.444798      4.944204      7.473831
  N      -8.394738      5.474923      6.730382
  C      -9.033781      4.630754      5.872285
  C     -10.060889      5.157586      5.050361
  C     -10.747868      4.331589      4.188262
  C     -10.433276      2.953421      4.117826
  C      -9.433109      2.411218      4.898308
  C      -8.698783      3.234495      5.792825
  H      -3.265938      4.047763      8.597122
  H      -4.237132      3.132909      7.430054
  H      -3.055535      5.859513      6.678814
  H      -4.635015      5.655618      7.508839
  H      -8.074130      3.929611      2.941359
  H      -6.146278      4.882589     -1.089101
  H      -3.908054      5.725899     -1.829280
  H      -2.161261      6.259424     -0.137994
  H      -2.625183      6.015332      2.274192
  H      -2.340117     -0.340176      3.356006
  H      -0.655592     -0.538369      2.871798
  H      -1.909955      0.505909      1.093078
  H      -0.706107      1.685681      1.707583
  H      -7.827479      0.242618      3.314737
  H      -7.870790      0.600033     -1.228719
  H      -6.247919      1.357121     -2.982199
  H      -3.999323      2.190642     -2.299194
  H      -3.353994      2.268863      0.066182
  H      -4.693086      0.043797      5.350239
  H      -4.097341     -1.357725      6.274323
  H      -6.191635     -0.780969      7.243331
  H      -4.988185     -0.120706      8.399616
  H      -6.945721      5.608107      8.186972
  H     -10.282736      6.222006      5.133010
  H     -11.539801      4.736863      3.556597
  H     -10.986498      2.310121      3.432023
  H      -9.206004      1.350715      4.846546
  N      -1.192866      3.901395      4.140318
  H      -1.537471      4.825642      4.415644
  H      -1.510190      3.722957      3.183316
  H      -0.172041      3.932450      4.128465
99
Coordinates from ORCA-job orca E -6652.856283097858
  N      -2.185239      3.338876      6.935997
  Mo     -2.249735      1.887773      5.563890
  N      -3.048806      0.440369      6.617316
  C      -2.220090     -0.240020      7.627022
  C      -1.112813      0.684791      8.119191
  N      -0.485295      1.371500      6.948486
  C       0.136356      2.680567      7.304051
  C      -0.963666      3.686346      7.654671
  C       0.481826      0.489385      6.232154
  C       0.420149      0.812572      4.741746
  N      -0.989541      0.901322      4.375083
  H      -0.613005      4.709074      7.421615
  H      -1.172096      3.671054      8.740704
  H       0.698309      3.011660      6.420501
  H       0.852379      2.557628      8.133259
  H       0.926380      0.020546      4.167206
  H       0.960391      1.754885      4.528349
  H       0.164338     -0.549876      6.385849
  H       1.492374      0.613482      6.652953
  H      -2.830074     -0.553397      8.490983
  H      -1.798594     -1.166202      7.188308
  H      -1.542458      1.461394      8.763046
  H      -0.350931      0.134265      8.694126
  C      -3.416964      3.861112      7.529423
  C      -3.882842      5.165430      6.896722
  O      -4.550777      4.851829      5.650474
  C      -4.149858      5.476553      4.532064
  O      -3.197089      6.241066      4.465901
  C      -5.031730      5.106750      3.360441
  N      -6.220615      4.607874      3.669193
  C      -7.057018      4.311753      2.644260
  N      -6.823416      4.474861      1.355318
  C      -5.602452      4.975458      1.015551
  C      -5.306593      5.156753     -0.358255
  C      -4.075424      5.639058     -0.741209
  C      -3.095908      5.953002      0.231072
  C      -3.354854      5.798758      1.577257
  C      -4.617751      5.312937      2.007994
  C      -1.429103      0.224326      3.157569
  C      -1.650562      1.135970      1.950989
  O      -2.668847      2.171002      2.150884
  C      -3.768130      1.810377      2.869918
  O      -3.684401      1.843681      4.159258
  C      -5.001362      1.407263      2.244389
  N      -5.943493      0.985710      3.118732
  C      -7.106744      0.550026      2.614792
  N      -7.471657      0.495931      1.339082
  C      -6.551181      0.933734      0.431436
  C      -6.907331      0.906358     -0.939591
  C      -6.020671      1.343057     -1.900868
  C      -4.753617      1.833235     -1.519941
  C      -4.377485      1.875512     -0.189560
  C      -5.254102      1.418184      0.822389
  C      -4.301183     -0.272818      6.337057
  C      -5.384237     -0.040720      7.383671
  O      -5.925867      1.296853      7.264679
  C      -7.135727      1.394223      6.661218
  O      -7.758182      0.441967      6.227071
  C      -7.623613      2.823900      6.625259
  N      -7.019568      3.670292      7.449044
  C      -7.455279      4.953534      7.445626
  N      -8.395792      5.478223      6.686376
  C      -9.026080      4.626729      5.828999
  C     -10.041767      5.146709      4.988789
  C     -10.717904      4.313216      4.125264
  C     -10.404371      2.933984      4.072277
  C      -9.416078      2.398217      4.872028
  C      -8.692650      3.229416      5.767806
  H      -3.260381      4.031457      8.610418
  H      -4.236239      3.127722      7.438332
  H      -3.055265      5.861620      6.711449
  H      -4.637040      5.646566      7.534602
  H      -8.026479      3.894372      2.927077
  H      -6.077072      4.892478     -1.082909
  H      -3.847398      5.777207     -1.799332
  H      -2.125098      6.333763     -0.090381
  H      -2.606905      6.072141      2.317210
  H      -2.361905     -0.333365      3.351212
  H      -0.680943     -0.528205      2.853333
  H      -1.950668      0.519265      1.086950
  H      -0.743559      1.698960      1.695177
  H      -7.834379      0.195136      3.350333
  H      -7.899791      0.533829     -1.194906
  H      -6.298767      1.318986     -2.955628
  H      -4.064808      2.199022     -2.283146
  H      -3.411360      2.292881      0.080398
  H      -4.692237      0.038003      5.357078
  H      -4.098649     -1.359362      6.289391
  H      -6.191983     -0.772783      7.254660
  H      -4.989375     -0.103199      8.406649
  H      -6.963031      5.623849      8.157423
  H     -10.263116      6.212201      5.057843
  H     -11.500645      4.713359      3.479045
  H     -10.948805      2.284762      3.385031
  H      -9.190849      1.336674      4.834544
  N      -1.205856      3.905688      4.135091
  H      -1.533719      4.832997      4.419844
  H      -1.546389      3.732765      3.184942
  H      -0.185284      3.925807      4.100544
99
Coordinates from ORCA-job orca E -6652.856297763268
  N      -2.186357      3.339468      6.933269
  Mo     -2.252729      1.888160      5.561413
  N      -3.048033      0.440348      6.616647
  C      -2.217241     -0.238512      7.625498
  C      -1.109001      0.687374      8.113676
  N      -0.484962      1.373243      6.940512
  C       0.137352      2.682797      7.293202
  C      -0.962287      3.687785      7.647672
  C       0.480418      0.490618      6.222483
  C       0.415100      0.813157      4.731976
  N      -0.995550      0.901990      4.369316
  H      -0.613308      4.710828      7.413515
  H      -1.166849      3.672573      8.734447
  H       0.695130      3.014283      6.407161
  H       0.857137      2.560710      8.119268
  H       0.919568      0.020647      4.156563
  H       0.955032      1.755243      4.516814
  H       0.163080     -0.548483      6.377487
  H       1.492055      0.614708      6.640663
  H      -2.825286     -0.550409      8.491363
  H      -1.796730     -1.165471      7.187492
  H      -1.537394      1.464458      8.757784
  H      -0.345255      0.138020      8.687242
  C      -3.416408      3.857823      7.533919
  C      -3.882858      5.166961      6.911476
  O      -4.550715      4.862514      5.662997
  C      -4.144071      5.487713      4.546988
  O      -3.188612      6.249258      4.485304
  C      -5.022414      5.120153      3.371750
  N      -6.211553      4.618943      3.675690
  C      -7.042416      4.319056      2.647359
  N      -6.803009      4.479964      1.359349
  C      -5.582355      4.984526      1.024475
  C      -5.281184      5.164270     -0.348351
  C      -4.050653      5.651726     -0.726773
  C      -3.077245      5.972441      0.249461
  C      -3.341110      5.818882      1.594737
  C      -4.603622      5.327734      2.020898
  C      -1.438847      0.224866      3.153173
  C      -1.663238      1.136252      1.946980
  O      -2.681077      2.171250      2.150073
  C      -3.778401      1.809575      2.871393
  O      -3.691641      1.844631      4.160717
  C      -5.011349      1.401767      2.248343
  N      -5.950765      0.977608      3.124356
  C      -7.112595      0.536167      2.621870
  N      -7.478400      0.478193      1.346705
  C      -6.561085      0.919456      0.437466
  C      -6.918087      0.888236     -0.933215
  C      -6.034704      1.328687     -1.895752
  C      -4.769968      1.826233     -1.516666
  C      -4.392765      1.871701     -0.186694
  C      -5.266078      1.410661      0.826583
  C      -4.301327     -0.272677      6.339927
  C      -5.383275     -0.036071      7.386687
  O      -5.925044      1.300975      7.260976
  C      -7.140650      1.393962      6.668581
  O      -7.768219      0.438817      6.248387
  C      -7.628160      2.823382      6.624808
  N      -7.026525      3.673612      7.446284
  C      -7.462076      4.957002      7.434621
  N      -8.398664      5.478258      6.668243
  C      -9.026298      4.622462      5.813123
  C     -10.037130      5.138397      4.964598
  C     -10.709826      4.300284      4.102816
  C     -10.398411      2.920188      4.060522
  C      -9.415115      2.388249      4.868956
  C      -8.694415      3.224520      5.761974
  H      -3.257112      4.020029      8.615795
  H      -4.236407      3.125836      7.439099
  H      -3.055653      5.865030      6.731619
  H      -4.637526      5.642439      7.553078
  H      -8.012712      3.900905      2.926043
  H      -6.047314      4.895146     -1.075817
  H      -3.818789      5.789282     -1.784123
  H      -2.106918      6.357527     -0.068308
  H      -2.597789      6.097150      2.337455
  H      -2.371441     -0.332217      3.349494
  H      -0.692145     -0.528370      2.847016
  H      -1.965964      0.519713      1.083764
  H      -0.757049      1.699365      1.688632
  H      -7.838628      0.180677      3.358777
  H      -7.908690      0.509986     -1.187392
  H      -6.313609      1.301740     -2.950231
  H      -4.083722      2.194556     -2.280962
  H      -3.428368      2.293778      0.082095
  H      -4.693295      0.035875      5.359601
  H      -4.099706     -1.359465      6.295255
  H      -6.191226     -0.768585      7.261987
  H      -4.987477     -0.093626      8.409646
  H      -6.972429      5.630863      8.144869
  H     -10.257490      6.204576      5.025804
  H     -11.488486      4.697440      3.449857
  H     -10.940370      2.267277      3.374821
  H      -9.191601      1.326098      4.839902
  N      -1.209336      3.906075      4.128419
  H      -1.529091      4.834877      4.417513
  H      -1.560240      3.736531      3.181413
  H      -0.189063      3.921223      4.083926
99
Coordinates from ORCA-job orca E -6652.856312501336
  N      -2.188972      3.340599      6.928513
  Mo     -2.256697      1.888378      5.557382
  N      -3.047003      0.439791      6.614502
  C      -2.213134     -0.237751      7.621548
  C      -1.104666      0.689731      8.106392
  N      -0.484852      1.375906      6.930990
  C       0.137061      2.686538      7.280424
  C      -0.962600      3.690266      7.638719
  C       0.479401      0.493746      6.210928
  C       0.409664      0.815498      4.720431
  N      -1.002184      0.903261      4.362372
  H      -0.615493      4.713609      7.403219
  H      -1.163028      3.675012      8.726222
  H       0.689778      3.018382      6.391326
  H       0.861084      2.566258      8.103011
  H       0.912764      0.023117      4.143701
  H       0.947959      1.758011      4.503254
  H       0.163503     -0.545566      6.367298
  H       1.492172      0.618967      6.626045
  H      -2.818742     -0.549646      8.489128
  H      -1.792752     -1.164532      7.183107
  H      -1.532491      1.466478      8.751267
  H      -0.338519      0.141872      8.678152
  C      -3.417166      3.852415      7.538724
  C      -3.885603      5.167790      6.930807
  O      -4.555336      4.875522      5.680704
  C      -4.141008      5.499639      4.567146
  O      -3.181598      6.256719      4.510637
  C      -5.015016      5.134457      3.387692
  N      -6.203303      4.627800      3.685793
  C      -7.027731      4.323942      2.653526
  N      -6.781918      4.483383      1.366647
  C      -5.562195      4.994007      1.037631
  C      -5.254221      5.171196     -0.333963
  C      -4.024571      5.665365     -0.706753
  C      -3.059575      5.996538      0.274376
  C      -3.329964      5.844965      1.618539
  C      -4.591233      5.345415      2.038928
  C      -1.449423      0.225015      3.148164
  C      -1.677654      1.135797      1.942256
  O      -2.695495      2.170256      2.148634
  C      -3.790541      1.806747      2.872366
  O      -3.700185      1.843772      4.161690
  C      -5.022615      1.392177      2.252380
  N      -5.957866      0.963605      3.130678
  C      -7.117868      0.514438      2.630472
  N      -7.485011      0.451317      1.356125
  C      -6.572395      0.897812      0.444527
  C      -6.931305      0.862158     -0.925483
  C      -6.053071      1.308544     -1.889967
  C      -4.791460      1.816046     -1.513752
  C      -4.412002      1.864895     -0.184496
  C      -5.280240      1.398598      0.830837
  C      -4.301733     -0.272528      6.342769
  C      -5.381988     -0.030017      7.389909
  O      -5.923075      1.306925      7.256994
  C      -7.143599      1.396436      6.674305
  O      -7.775902      0.439000      6.266580
  C      -7.630299      2.825726      6.623087
  N      -7.034240      3.678256      7.446130
  C      -7.470438      4.961588      7.427734
  N      -8.400905      5.480419      6.652400
  C      -9.022450      4.621971      5.795417
  C     -10.025983      5.135044      4.936565
  C     -10.692002      4.293711      4.072633
  C     -10.381626      2.913154      4.038770
  C      -9.405563      2.383956      4.857773
  C      -8.691166      3.223751      5.752229
  H      -3.254679      4.003112      8.621808
  H      -4.237601      3.121849      7.438206
  H      -3.059476      5.868650      6.756898
  H      -4.640128      5.635241      7.578432
  H      -7.997701      3.901779      2.927159
  H      -6.014395      4.894636     -1.064848
  H      -3.787528      5.801354     -1.763154
  H      -2.090122      6.387550     -0.038830
  H      -2.593028      6.130297      2.364775
  H      -2.381438     -0.331750      3.347993
  H      -0.703912     -0.528749      2.840362
  H      -1.982687      0.519164      1.079917
  H      -0.772699      1.699551      1.681039
  H      -7.840516      0.155013      3.368953
  H      -7.919159      0.475514     -1.178026
  H      -6.333716      1.278275     -2.943900
  H      -4.109195      2.188389     -2.279669
  H      -3.449771      2.293042      0.082240
  H      -4.694845      0.033540      5.362133
  H      -4.101834     -1.359714      6.301566
  H      -6.190749     -0.762426      7.270563
  H      -4.984832     -0.082198      8.412709
  H      -6.987418      5.637397      8.140658
  H     -10.246360      6.201553      4.991699
  H     -11.464583      4.688827      3.411258
  H     -10.918591      2.257799      3.351480
  H      -9.183195      1.321351      4.835845
  N      -1.214890      3.905886      4.120021
  H      -1.531088      4.835404      4.411145
  H      -1.570854      3.738155      3.174581
  H      -0.194837      3.919733      4.070524
99
Coordinates from ORCA-job orca E -6652.856325226863
  N      -2.191704      3.343181      6.923256
  Mo     -2.260860      1.889270      5.553253
  N      -3.047190      0.440166      6.612454
  C      -2.210312     -0.236484      7.617576
  C      -1.101732      0.692175      8.100057
  N      -0.485365      1.378790      6.922966
  C       0.136115      2.690380      7.269895
  C      -0.963465      3.693468      7.630506
  C       0.477967      0.497116      6.201160
  C       0.404397      0.818088      4.710634
  N      -1.008536      0.904525      4.356403
  H      -0.617348      4.716853      7.393751
  H      -1.160983      3.678564      8.718484
  H       0.685482      3.022103      6.378672
  H       0.862875      2.571571      8.090264
  H       0.906628      0.026063      4.132732
  H       0.940927      1.761182      4.491786
  H       0.163253     -0.542387      6.358515
  H       1.491705      0.623191      6.613696
  H      -2.813645     -0.548920      8.486573
  H      -1.789982     -1.162849      7.178249
  H      -1.529265      1.468479      8.745664
  H      -0.333568      0.145541      8.670235
  C      -3.418280      3.849515      7.541750
  C      -3.888275      5.170867      6.947406
  O      -4.560633      4.890952      5.696115
  C      -4.137037      5.511396      4.584097
  O      -3.172713      6.262601      4.531979
  C      -5.006524      5.148331      3.400347
  N      -6.194014      4.636582      3.692524
  C      -7.012739      4.330205      2.656585
  N      -6.760635      4.488339      1.370798
  C      -5.540936      5.002704      1.047522
  C      -5.225746      5.175985     -0.322919
  C      -3.996668      5.675628     -0.690404
  C      -3.040214      6.017456      0.295344
  C      -3.317439      5.869101      1.638484
  C      -4.577531      5.361909      2.053515
  C      -1.458525      0.225197      3.143679
  C      -1.690585      1.135278      1.937900
  O      -2.709217      2.168617      2.146748
  C      -3.801833      1.802277      2.872976
  O      -3.708424      1.842475      4.162201
  C      -5.032447      1.379500      2.256185
  N      -5.962587      0.944410      3.136694
  C      -7.121290      0.488697      2.639110
  N      -7.492005      0.425967      1.365906
  C      -6.584712      0.879175      0.452149
  C      -6.947742      0.844176     -0.916757
  C      -6.075018      1.297087     -1.883185
  C      -4.814689      1.810107     -1.510102
  C      -4.431071      1.857863     -0.181960
  C      -5.293937      1.385839      0.835248
  C      -4.302937     -0.272485      6.346108
  C      -5.380145     -0.025166      7.395182
  O      -5.922135      1.311099      7.256529
  C      -7.145184      1.396960      6.678713
  O      -7.779464      0.437260      6.279465
  C      -7.632219      2.825815      6.621490
  N      -7.041174      3.680336      7.445984
  C      -7.478502      4.963373      7.422512
  N      -8.403194      5.480209      6.639017
  C      -9.019007      4.619598      5.780011
  C     -10.016099      5.130241      4.912263
  C     -10.676321      4.286203      4.046436
  C     -10.366607      2.905372      4.019358
  C      -9.396486      2.378532      4.846979
  C      -8.688045      3.221211      5.743291
  H      -3.253158      3.989575      8.625864
  H      -4.239364      3.120588      7.435680
  H      -3.062916      5.873946      6.778981
  H      -4.642210      5.630780      7.601027
  H      -7.983313      3.906378      2.925469
  H      -5.980224      4.892274     -1.056935
  H      -3.754164      5.809080     -1.745895
  H      -2.071621      6.414180     -0.013348
  H      -2.586974      6.162196      2.387942
  H      -2.389721     -0.331939      3.346265
  H      -0.713556     -0.528598      2.834682
  H      -1.996963      0.518098      1.076409
  H      -0.787139      1.700291      1.674219
  H      -7.839196      0.122697      3.379042
  H      -7.934154      0.452426     -1.167236
  H      -6.359091      1.267539     -2.936220
  H      -4.136610      2.187098     -2.277457
  H      -3.469630      2.289317      0.082412
  H      -4.698233      0.030631      5.365422
  H      -4.103817     -1.359877      6.308016
  H      -6.189191     -0.758250      7.282529
  H      -4.979765     -0.071408      8.417041
  H      -7.000479      5.641041      8.137019
  H     -10.236608      6.196978      4.962347
  H     -11.443690      4.679593      3.377993
  H     -10.899193      2.248057      3.330541
  H      -9.174599      1.315715      4.830650
  N      -1.221375      3.905235      4.112610
  H      -1.536932      4.834697      4.404843
  H      -1.577326      3.739237      3.166875
  H      -0.201312      3.919434      4.062787
99
Coordinates from ORCA-job orca E -6652.856334182273
  N      -2.193992      3.346211      6.918330
  Mo     -2.263921      1.889837      5.550238
  N      -3.047884      0.440813      6.611427
  C      -2.209164     -0.234214      7.616326
  C      -1.100380      0.695544      8.096664
  N      -0.486086      1.381512      6.918072
  C       0.135021      2.694088      7.262404
  C      -0.964399      3.697344      7.623342
  C       0.476724      0.499750      6.195681
  C       0.400534      0.818856      4.704862
  N      -1.013087      0.904160      4.352851
  H      -0.618561      4.720395      7.384777
  H      -1.160329      3.683656      8.711571
  H       0.682919      3.024727      6.369895
  H       0.862975      2.576878      8.081952
  H       0.902191      0.026520      4.126924
  H       0.936013      1.762076      4.483998
  H       0.162903     -0.539795      6.354521
  H       1.491044      0.626886      6.606454
  H      -2.811350     -0.546087      8.486314
  H      -1.788806     -1.160763      7.177435
  H      -1.527565      1.472116      8.742203
  H      -0.330998      0.149961      8.666173
  C      -3.419482      3.848132      7.542803
  C      -3.891436      5.174100      6.959619
  O      -4.566910      4.904392      5.707929
  C      -4.134420      5.519449      4.596432
  O      -3.165403      6.264851      4.547104
  C      -5.000082      5.157744      3.409309
  N      -6.186034      4.640009      3.696853
  C      -7.000451      4.331626      2.658314
  N      -6.744169      4.490073      1.373327
  C      -5.525232      5.008918      1.054515
  C      -5.204946      5.180297     -0.315053
  C      -3.976830      5.685128     -0.678584
  C      -3.026969      6.035305      0.310562
  C      -3.309174      5.888819      1.652885
  C      -4.567730      5.374492      2.063955
  C      -1.464140      0.224166      3.140805
  C      -1.699096      1.133575      1.934964
  O      -2.718629      2.165845      2.144967
  C      -3.809385      1.797123      2.873255
  O      -3.714221      1.840392      4.162216
  C      -5.038687      1.367099      2.259130
  N      -5.963586      0.924671      3.141529
  C      -7.121370      0.463675      2.646634
  N      -7.496587      0.404036      1.374614
  C      -6.594628      0.864339      0.459071
  C      -6.962835      0.832735     -0.908525
  C      -6.095501      1.292073     -1.876787
  C      -4.835427      1.807962     -1.506775
  C      -4.446900      1.852576     -0.179923
  C      -5.304448      1.374852      0.839013
  C      -4.303805     -0.273062      6.348535
  C      -5.379469     -0.022715      7.398449
  O      -5.921756      1.313241      7.256673
  C      -7.144287      1.397683      6.677642
  O      -7.778147      0.437184      6.279719
  C      -7.631512      2.826388      6.617395
  N      -7.044657      3.681531      7.444188
  C      -7.483155      4.964241      7.418565
  N      -8.405011      5.479926      6.630978
  C      -9.016098      4.618616      5.769293
  C     -10.009719      5.127905      4.896791
  C     -10.665089      4.282784      4.028277
  C     -10.353659      2.902314      4.002740
  C      -9.386614      2.376827      4.834824
  C      -8.683563      3.220637      5.734243
  H      -3.252628      3.979780      8.627726
  H      -4.240757      3.120197      7.432051
  H      -3.067045      5.879196      6.795062
  H      -4.644489      5.627464      7.618696
  H      -7.970608      3.904702      2.923784
  H      -5.955202      4.891338     -1.051328
  H      -3.730348      5.817172     -1.733341
  H      -2.059504      6.437414      0.005309
  H      -2.583774      6.188069      2.404790
  H      -2.394493     -0.333902      3.344840
  H      -0.718926     -0.529104      2.831198
  H      -2.005956      0.515554      1.074227
  H      -0.796807      1.699635      1.669533
  H      -7.834098      0.090051      3.387813
  H      -7.948686      0.438147     -1.156708
  H      -6.383661      1.265204     -2.928777
  H      -4.161364      2.189566     -2.275385
  H      -3.485608      2.285870      0.081960
  H      -4.700324      0.026926      5.367366
  H      -4.104365     -1.360468      6.313341
  H      -6.188798     -0.756060      7.289519
  H      -4.977418     -0.065498      8.419775
  H      -7.009142      5.642409      8.135243
  H     -10.231686      6.194409      4.945419
  H     -11.429848      4.675182      3.356265
  H     -10.882314      2.244363      3.311509
  H      -9.163095      1.314318      4.819783
  N      -1.224851      3.902496      4.106714
  H      -1.539812      4.831507      4.401120
  H      -1.580299      3.738942      3.160388
  H      -0.204754      3.916572      4.056851
99
Coordinates from ORCA-job orca E -6652.856270265565
  N      -2.195130      3.346740      6.918071
  Mo     -2.265162      1.889171      5.550522
  N      -3.047507      0.439898      6.612815
  C      -2.207717     -0.234253      7.617091
  C      -1.098938      0.695947      8.095951
  N      -0.485448      1.381839      6.916662
  C       0.135361      2.694704      7.261103
  C      -0.965315      3.699411      7.622687
  C       0.477234      0.500694      6.192905
  C       0.399210      0.819295      4.702135
  N      -1.014638      0.903267      4.351634
  H      -0.619124      4.725316      7.382015
  H      -1.162537      3.686635      8.714066
  H       0.684720      3.025787      6.367004
  H       0.863980      2.576337      8.082498
  H       0.900678      0.027122      4.123653
  H       0.933918      1.762578      4.480382
  H       0.164710     -0.538996      6.352336
  H       1.491660      0.629065      6.602276
  H      -2.809240     -0.546056      8.487643
  H      -1.787369     -1.160731      7.177922
  H      -1.525736      1.472700      8.741635
  H      -0.329118      0.150678      8.665050
  C      -3.421146      3.848232      7.542981
  C      -3.892803      5.175269      6.961728
  O      -4.567804      4.907977      5.708927
  C      -4.133112      5.522746      4.598252
  O      -3.163162      6.267301      4.550647
  C      -4.996847      5.161080      3.408799
  N      -6.183979      4.640409      3.694669
  C      -6.996803      4.331459      2.654146
  N      -6.737518      4.490618      1.368329
  C      -5.517325      5.012628      1.051454
  C      -5.193599      5.184913     -0.319083
  C      -3.964084      5.693116     -0.681027
  C      -3.016175      6.046251      0.310747
  C      -3.301792      5.899029      1.653970
  C      -4.561708      5.380495      2.063323
  C      -1.465463      0.222306      3.140065
  C      -1.702215      1.130914      1.934155
  O      -2.722046      2.163628      2.145249
  C      -3.812512      1.794334      2.875343
  O      -3.715634      1.837579      4.164203
  C      -5.043323      1.362674      2.262591
  N      -5.967293      0.918066      3.145581
  C      -7.125951      0.457588      2.652864
  N      -7.503391      0.400992      1.381980
  C      -6.602385      0.863049      0.465999
  C      -6.972658      0.834569     -0.899914
  C      -6.106142      1.295113     -1.868481
  C      -4.844868      1.809105     -1.500476
  C      -4.454351      1.851053     -0.175347
  C      -5.310991      1.372352      0.843930
  C      -4.303158     -0.274798      6.351356
  C      -5.378955     -0.023039      7.401042
  O      -5.921494      1.312702      7.257783
  C      -7.142812      1.396293      6.677436
  O      -7.775195      0.435265      6.279964
  C      -7.630758      2.824732      6.615336
  N      -7.045920      3.680593      7.442417
  C      -7.485501      4.962765      7.415312
  N      -8.406954      5.477151      6.627002
  C      -9.015886      4.615118      5.764981
  C     -10.008894      5.122957      4.891422
  C     -10.661986      4.277159      4.021955
  C     -10.348703      2.897431      3.996223
  C      -9.382198      2.373373      4.829356
  C      -8.681719      3.217806      5.730386
  H      -3.254320      3.978616      8.628521
  H      -4.242816      3.120479      7.430953
  H      -3.068126      5.880905      6.798975
  H      -4.646295      5.627123      7.621568
  H      -7.968199      3.902771      2.918389
  H      -5.942452      4.894202     -1.057299
  H      -3.714892      5.825728     -1.736471
  H      -2.047658      6.451764      0.006745
  H      -2.578172      6.201095      2.408147
  H      -2.395186     -0.336715      3.345492
  H      -0.719606     -0.530139      2.829616
  H      -2.010300      0.512064      1.074491
  H      -0.799989      1.696804      1.667061
  H      -7.837956      0.082013      3.394067
  H      -7.959239      0.441369     -1.146351
  H      -6.395867      1.270672     -2.919058
  H      -4.171484      2.191396     -2.269311
  H      -3.492109      2.282850      0.084788
  H      -4.699716      0.023179      5.369835
  H      -4.103148     -1.362046      6.317985
  H      -6.188218     -0.756665      7.293071
  H      -4.976879     -0.064569      8.422427
  H      -7.013074      5.641576      8.131867
  H     -10.232142      6.188996      4.939707
  H     -11.426294      4.668451      3.349190
  H     -10.875410      2.238971      3.303848
  H      -9.157138      1.311520      4.813906
  N      -1.227865      3.900920      4.105907
  H      -1.542761      4.828512      4.401277
  H      -1.583047      3.738599      3.159876
  H      -0.209029      3.915930      4.054774
99
Coordinates from ORCA-job orca E -6652.848052911997
  N      -2.196500      3.351028      6.921546
  Mo     -2.268721      1.885732      5.556038
  N      -3.041945      0.433702      6.623433
  C      -2.195589     -0.236192      7.623015
  C      -1.088526      0.697115      8.093500
  N      -0.477735      1.386072      6.912387
  C       0.139072      2.701355      7.260960
  C      -0.968104      3.705934      7.628587
  C       0.484383      0.511095      6.180380
  C       0.394202      0.825506      4.690010
  N      -1.021804      0.897179      4.349503
  H      -0.621097      4.745400      7.389160
  H      -1.175834      3.688105      8.730513
  H       0.696434      3.038731      6.363645
  H       0.867359      2.577317      8.090797
  H       0.896062      0.035362      4.109631
  H       0.923170      1.769894      4.461436
  H       0.180423     -0.529141      6.343770
  H       1.499002      0.647772      6.579719
  H      -2.792191     -0.549607      8.496680
  H      -1.774923     -1.161120      7.181545
  H      -1.514093      1.473177      8.739194
  H      -0.317365      0.154325      8.659605
  C      -3.426291      3.850417      7.548345
  C      -3.897310      5.183789      6.987991
  O      -4.572679      4.933306      5.737883
  C      -4.134000      5.525620      4.627547
  O      -3.169438      6.248566      4.581368
  C      -4.976333      5.168330      3.429697
  N      -6.136218      4.638316      3.701663
  C      -6.934613      4.331265      2.654667
  N      -6.687957      4.492352      1.374439
  C      -5.492696      5.026939      1.075065
  C      -5.178481      5.206135     -0.289059
  C      -3.968767      5.733537     -0.637471
  C      -3.029482      6.100216      0.361451
  C      -3.308297      5.944608      1.698655
  C      -4.549828      5.403296      2.093666
  C      -1.472309      0.210795      3.140912
  C      -1.721331      1.111270      1.933987
  O      -2.737790      2.149554      2.154233
  C      -3.824403      1.776884      2.892775
  O      -3.719283      1.818804      4.179737
  C      -5.054801      1.337889      2.286233
  N      -5.944464      0.884358      3.166257
  C      -7.107581      0.430728      2.695440
  N      -7.529361      0.396456      1.447202
  C      -6.660294      0.863514      0.532954
  C      -7.074948      0.857678     -0.806946
  C      -6.237106      1.317853     -1.775744
  C      -4.961511      1.808623     -1.432922
  C      -4.530590      1.833507     -0.132521
  C      -5.358069      1.357856      0.887291
  C      -4.297995     -0.280000      6.364129
  C      -5.380999     -0.021694      7.404732
  O      -5.922716      1.311957      7.248241
  C      -7.117434      1.399840      6.634350
  O      -7.727362      0.445955      6.224568
  C      -7.605780      2.822466      6.551517
  N      -7.036574      3.678980      7.379198
  C      -7.473370      4.951818      7.331903
  N      -8.377585      5.453446      6.529809
  C      -8.969599      4.591682      5.666311
  C      -9.943562      5.085791      4.776789
  C     -10.580843      4.242804      3.901431
  C     -10.269726      2.879917      3.883108
  C      -9.320164      2.368855      4.730851
  C      -8.637640      3.208882      5.644292
  H      -3.262267      3.967775      8.635573
  H      -4.249595      3.126959      7.423603
  H      -3.074015      5.894543      6.834151
  H      -4.647918      5.620683      7.657567
  H      -7.881333      3.902363      2.906583
  H      -5.917363      4.909858     -1.033233
  H      -3.727023      5.871656     -1.687313
  H      -2.076469      6.526953      0.068715
  H      -2.594983      6.262133      2.461621
  H      -2.398685     -0.354405      3.353810
  H      -0.724243     -0.536095      2.825909
  H      -2.043121      0.484452      1.083947
  H      -0.819147      1.673643      1.652594
  H      -7.787276      0.048216      3.427507
  H      -8.070705      0.481382     -1.030278
  H      -6.559665      1.310765     -2.805626
  H      -4.310370      2.188563     -2.201998
  H      -3.558932      2.248647      0.107151
  H      -4.688939      0.010582      5.380370
  H      -4.096131     -1.365807      6.338969
  H      -6.187650     -0.755360      7.294670
  H      -4.988193     -0.056835      8.427511
  H      -7.013041      5.634103      8.043885
  H     -10.165012      6.140633      4.815781
  H     -11.331084      4.623724      3.217461
  H     -10.783213      2.224290      3.182838
  H      -9.094294      1.320325      4.717779
  N      -1.248064      3.889985      4.107350
  H      -1.550430      4.803822      4.418776
  H      -1.608768      3.749164      3.166586
  H      -0.238282      3.905257      4.036286
99
Coordinates from ORCA-job orca E -6652.845976316176
  N      -2.186143      3.352486      6.925049
  Mo     -2.263506      1.890468      5.559973
  N      -3.047496      0.434128      6.622443
  C      -2.198190     -0.234499      7.626080
  C      -1.092136      0.701622      8.101312
  N      -0.477672      1.391086      6.924893
  C       0.135292      2.708797      7.272115
  C      -0.956610      3.694123      7.622737
  C       0.487662      0.515800      6.200540
  C       0.401964      0.829204      4.706162
  N      -1.015668      0.900716      4.354618
  H      -0.616266      4.687821      7.394272
  H      -1.150546      3.677480      8.680004
  H       0.683123      3.038269      6.403559
  H       0.842796      2.603064      8.087952
  H       0.908083      0.039052      4.130841
  H       0.934494      1.775566      4.478318
  H       0.181256     -0.525704      6.365719
  H       1.504163      0.653465      6.607477
  H      -2.796688     -0.550153      8.498205
  H      -1.773734     -1.157605      7.185580
  H      -1.521072      1.476067      8.744995
  H      -0.321102      0.160066      8.670502
  C      -3.414219      3.851688      7.541309
  C      -3.887449      5.183451      6.977804
  O      -4.559496      4.927972      5.721713
  C      -4.105434      5.534126      4.612130
  O      -3.133234      6.279659      4.570279
  C      -4.947795      5.169646      3.411578
  N      -6.106908      4.633384      3.680053
  C      -6.912736      4.325571      2.645792
  N      -6.668281      4.494187      1.376376
  C      -5.479916      5.032421      1.080986
  C      -5.178599      5.217050     -0.267560
  C      -3.987102      5.744502     -0.613072
  C      -3.050685      6.104690      0.372794
  C      -3.312611      5.944278      1.693070
  C      -4.534743      5.405088      2.087376
  C      -1.467642      0.217717      3.145580
  C      -1.717764      1.118258      1.935903
  O      -2.732435      2.150894      2.152215
  C      -3.814186      1.777449      2.891126
  O      -3.713910      1.823764      4.174954
  C      -5.046346      1.323904      2.294617
  N      -5.935557      0.851955      3.200205
  C      -7.098572      0.380256      2.732242
  N      -7.525187      0.342927      1.453697
  C      -6.658461      0.829086      0.517418
  C      -7.085162      0.826707     -0.857077
  C      -6.254649      1.311844     -1.849637
  C      -4.979240      1.823277     -1.499454
  C      -4.537829      1.846147     -0.167549
  C      -5.356598      1.344736      0.876025
  C      -4.303954     -0.287787      6.366106
  C      -5.379450     -0.031717      7.413937
  O      -5.929675      1.298917      7.261094
  C      -7.134661      1.380866      6.652312
  O      -7.756903      0.417038      6.249039
  C      -7.617184      2.813462      6.569822
  N      -7.042258      3.673968      7.403319
  C      -7.473277      4.959993      7.358198
  N      -8.379944      5.475479      6.551013
  C      -8.975613      4.611551      5.678979
  C      -9.950177      5.122110      4.779762
  C     -10.589306      4.277618      3.892762
  C     -10.277299      2.896409      3.873712
  C      -9.328055      2.369641      4.732446
  C      -8.646216      3.210916      5.657050
  H      -3.257881      3.972239      8.628951
  H      -4.234326      3.123986      7.413122
  H      -3.068023      5.897281      6.825652
  H      -4.642196      5.617732      7.645916
  H      -7.861705      3.888426      2.901678
  H      -5.918962      4.923286     -1.001435
  H      -3.756623      5.887006     -1.651552
  H      -2.113735      6.528772      0.082658
  H      -2.601136      6.254397      2.443930
  H      -2.393124     -0.347074      3.357689
  H      -0.718514     -0.529580      2.832248
  H      -2.036500      0.490423      1.086439
  H      -0.818522      1.680562      1.655175
  H      -7.777977     -0.023638      3.489900
  H      -8.083070      0.436178     -1.082628
  H      -6.584594      1.308501     -2.904086
  H      -4.335932      2.225479     -2.286091
  H      -3.568301      2.280628      0.075230
  H      -4.702654     -0.004551      5.379807
  H      -4.097490     -1.373248      6.344698
  H      -6.184714     -0.772438      7.310795
  H      -4.974672     -0.061884      8.435924
  H      -7.002370      5.642698      8.075541
  H     -10.169356      6.190327      4.818994
  H     -11.340226      4.670141      3.200628
  H     -10.790174      2.239274      3.164924
  H      -9.102642      1.307967      4.716763
  N      -1.253534      3.894486      4.110144
  H      -1.572906      4.829596      4.432933
  H      -1.624464      3.738232      3.153433
  H      -0.217078      3.902249      4.048454
99
Coordinates from ORCA-job orca E -6652.848726583115
  N      -2.194619      3.351920      6.917283
  Mo     -2.273519      1.884516      5.556564
  N      -3.047595      0.434429      6.631233
  C      -2.196985     -0.233312      7.633814
  C      -1.086927      0.701323      8.102540
  N      -0.479863      1.385136      6.918321
  C       0.136792      2.701989      7.259609
  C      -0.960799      3.700584      7.617227
  C       0.480481      0.504501      6.189372
  C       0.387839      0.813318      4.695575
  N      -1.030181      0.888327      4.352820
  H      -0.616113      4.714937      7.379011
  H      -1.155075      3.688470      8.698275
  H       0.686457      3.032095      6.375220
  H       0.856962      2.590054      8.079516
  H       0.888498      0.018844      4.118974
  H       0.919369      1.756398      4.462671
  H       0.173480     -0.535979      6.358691
  H       1.499607      0.640769      6.588771
  H      -2.791590     -0.543724      8.510277
  H      -1.777226     -1.160317      7.193900
  H      -1.511849      1.479877      8.747685
  H      -0.313056      0.159216      8.670874
  C      -3.418598      3.859242      7.544397
  C      -3.888003      5.194015      6.973446
  O      -4.572441      4.941418      5.720623
  C      -4.111948      5.544656      4.608369
  O      -3.109723      6.290965      4.566454
  C      -4.974098      5.178157      3.407748
  N      -6.184398      4.636319      3.690619
  C      -7.001507      4.329976      2.647834
  N      -6.722286      4.502935      1.353260
  C      -5.483524      5.042551      1.037492
  C      -5.145999      5.226709     -0.339209
  C      -3.906703      5.752258     -0.697549
  C      -2.967656      6.108239      0.300479
  C      -3.263584      5.949836      1.648601
  C      -4.530141      5.413174      2.056460
  C      -1.486812      0.199363      3.146868
  C      -1.737153      1.099760      1.935464
  O      -2.748769      2.137833      2.149831
  C      -3.835430      1.772277      2.887196
  O      -3.732461      1.819737      4.175567
  C      -5.068708      1.333007      2.280430
  N      -5.998393      0.863867      3.175089
  C      -7.164768      0.409396      2.682799
  N      -7.547531      0.390546      1.398937
  C      -6.640673      0.872335      0.474209
  C      -7.019835      0.883911     -0.904762
  C      -6.147750      1.362257     -1.880968
  C      -4.876948      1.852511     -1.507296
  C      -4.479450      1.860689     -0.172078
  C      -5.340644      1.366085      0.855043
  C      -4.302131     -0.291914      6.392003
  C      -5.362084     -0.023019      7.454175
  O      -5.910863      1.309610      7.294628
  C      -7.132802      1.377869      6.703902
  O      -7.773634      0.396370      6.317718
  C      -7.619182      2.810860      6.614882
  N      -7.033694      3.689511      7.425779
  C      -7.475491      4.980394      7.371671
  N      -8.402903      5.481661      6.571182
  C      -9.009746      4.595813      5.722836
  C     -10.006406      5.087734      4.833666
  C     -10.653947      4.217554      3.974724
  C     -10.328381      2.826532      3.975094
  C      -9.357733      2.318439      4.825146
  C      -8.668140      3.187354      5.717537
  H      -3.251328      3.982406      8.631736
  H      -4.244670      3.136480      7.427661
  H      -3.062058      5.898762      6.812314
  H      -4.637563      5.641923      7.643102
  H      -7.987120      3.890580      2.909236
  H      -5.891507      4.935680     -1.081284
  H      -3.651400      5.893068     -1.753364
  H      -1.998996      6.529463      0.003781
  H      -2.548788      6.256515      2.407213
  H      -2.412543     -0.362167      3.362340
  H      -0.739419     -0.552027      2.834786
  H      -2.059526      0.474676      1.086424
  H      -0.836373      1.657915      1.652683
  H      -7.882302      0.009222      3.429636
  H      -8.014249      0.509083     -1.154000
  H      -6.444853      1.367937     -2.939760
  H      -4.200162      2.247680     -2.278539
  H      -3.508903      2.277853      0.092057
  H      -4.711819     -0.016716      5.407634
  H      -4.096563     -1.380189      6.377276
  H      -6.171633     -0.761987      7.373242
  H      -4.941709     -0.043841      8.470880
  H      -6.997383      5.677796      8.072093
  H     -10.235302      6.161819      4.858962
  H     -11.421501      4.594666      3.290047
  H     -10.848052      2.150179      3.289914
  H      -9.121017      1.249601      4.826185
  N      -1.252217      3.884480      4.094823
  H      -1.562741      4.819213      4.409762
  H      -1.622207      3.729670      3.145508
  H      -0.225222      3.891967      4.028754
99
Coordinates from ORCA-job orca E -6652.845209366826
  N      -2.195472      3.348444      6.900534
  Mo     -2.271787      1.889021      5.542631
  N      -3.055278      0.439475      6.614174
  C      -2.216858     -0.234081      7.623479
  C      -1.100314      0.695109      8.099868
  N      -0.485818      1.375765      6.916862
  C       0.144603      2.688279      7.262191
  C      -0.962802      3.702748      7.604167
  C       0.472960      0.489330      6.194498
  C       0.395797      0.811760      4.701729
  N      -1.023437      0.898653      4.345404
  H      -0.623037      4.723847      7.342536
  H      -1.158600      3.707070      8.693297
  H       0.719859      3.005370      6.368630
  H       0.867945      2.572008      8.108186
  H       0.899480      0.018555      4.125146
  H       0.936666      1.757184      4.483140
  H       0.148581     -0.551509      6.351895
  H       1.493913      0.609193      6.609891
  H      -2.819956     -0.542827      8.497097
  H      -1.799137     -1.164710      7.186787
  H      -1.523732      1.475086      8.745893
  H      -0.328493      0.148663      8.670679
  C      -3.418129      3.848209      7.520846
  C      -3.888814      5.175642      6.933724
  O      -4.570762      4.916619      5.685350
  C      -4.120721      5.511819      4.575913
  O      -3.125791      6.252317      4.528471
  C      -4.995889      5.149737      3.392568
  N      -6.207721      4.619188      3.682125
  C      -7.036141      4.314505      2.654087
  N      -6.767471      4.487598      1.370539
  C      -5.526586      5.011767      1.045800
  C      -5.200455      5.192818     -0.319295
  C      -3.960943      5.702093     -0.686404
  C      -3.011614      6.042470      0.291978
  C      -3.296207      5.886931      1.629581
  C      -4.561758      5.371654      2.046841
  C      -1.484966      0.218459      3.143385
  C      -1.732591      1.119559      1.939701
  O      -2.750498      2.133700      2.138447
  C      -3.823776      1.778268      2.866121
  O      -3.725627      1.832129      4.153114
  C      -5.035495      1.352987      2.259436
  N      -5.972104      0.897840      3.156650
  C      -7.118286      0.441247      2.664815
  N      -7.470307      0.404688      1.382807
  C      -6.555149      0.880607      0.456499
  C      -6.901109      0.877864     -0.919446
  C      -6.021663      1.355579     -1.896756
  C      -4.776491      1.859366     -1.528634
  C      -4.410317      1.876684     -0.196045
  C      -5.280207      1.379923      0.832609
  C      -4.313518     -0.281355      6.366369
  C      -5.370246     -0.021652      7.431942
  O      -5.916221      1.314219      7.289665
  C      -7.147129      1.389015      6.704726
  O      -7.795784      0.410061      6.308854
  C      -7.635451      2.825442      6.638762
  N      -7.043326      3.698301      7.450976
  C      -7.485543      4.995358      7.415262
  N      -8.420933      5.509925      6.628326
  C      -9.036490      4.629201      5.781202
  C     -10.042437      5.136154      4.908084
  C     -10.700322      4.269042      4.056881
  C     -10.375302      2.866889      4.050082
  C      -9.395071      2.345247      4.882558
  C      -8.694488      3.211926      5.762785
  H      -3.251667      3.977161      8.606986
  H      -4.239957      3.121060      7.408455
  H      -3.067324      5.871976      6.765370
  H      -4.635716      5.631325      7.590266
  H      -8.024412      3.876092      2.923550
  H      -5.955040      4.910310     -1.046737
  H      -3.712923      5.840790     -1.735537
  H      -2.041130      6.444043     -0.012276
  H      -2.570080      6.176032      2.368641
  H      -2.410059     -0.339090      3.352267
  H      -0.737203     -0.532197      2.833338
  H      -2.039352      0.506392      1.085820
  H      -0.839192      1.679796      1.675702
  H      -7.841982      0.049290      3.418024
  H      -7.877980      0.492132     -1.166699
  H      -6.293350      1.350104     -2.953405
  H      -4.092629      2.258389     -2.301015
  H      -3.458911      2.305205      0.065036
  H      -4.725122      0.008595      5.383115
  H      -4.112760     -1.372067      6.337907
  H      -6.182331     -0.756963      7.342231
  H      -4.948420     -0.053709      8.448530
  H      -7.005331      5.682598      8.125689
  H     -10.271083      6.217655      4.942065
  H     -11.475179      4.657194      3.384638
  H     -10.903983      2.192172      3.374417
  H      -9.159715      1.267556      4.879321
  N      -1.249738      3.897096      4.083689
  H      -1.572486      4.834249      4.384198
  H      -1.611639      3.726262      3.136409
  H      -0.216653      3.911957      4.029616
99
Coordinates from ORCA-job orca E -6652.843280033152
  N      -2.192322      3.352843      6.883263
  Mo     -2.260627      1.880844      5.544008
  N      -3.051590      0.442762      6.620368
  C      -2.227447     -0.216323      7.647235
  C      -1.109345      0.716889      8.115595
  N      -0.489254      1.380689      6.929985
  C       0.146216      2.694141      7.259300
  C      -0.953220      3.726231      7.586646
  C       0.469163      0.483710      6.225161
  C       0.402261      0.785126      4.730287
  N      -1.015991      0.878972      4.366554
  H      -0.607182      4.758383      7.295569
  H      -1.140297      3.755174      8.696722
  H       0.724719      2.996428      6.361652
  H       0.870167      2.582276      8.107295
  H       0.902773     -0.020143      4.172243
  H       0.953049      1.723215      4.500214
  H       0.138693     -0.552159      6.396216
  H       1.489729      0.604290      6.643240
  H      -2.838319     -0.504470      8.520177
  H      -1.812137     -1.156401      7.234521
  H      -1.532299      1.505397      8.749175
  H      -0.342022      0.174839      8.696206
  C      -3.417051      3.838842      7.509378
  C      -3.889751      5.166363      6.919883
  O      -4.588417      4.918059      5.682618
  C      -4.136407      5.474039      4.564447
  O      -3.134861      6.165016      4.503058
  C      -5.019577      5.128085      3.395557
  N      -6.225527      4.607169      3.694869
  C      -7.055775      4.309321      2.681779
  N      -6.799350      4.491792      1.408561
  C      -5.564499      5.009244      1.071772
  C      -5.249144      5.199968     -0.285557
  C      -4.012830      5.703436     -0.668142
  C      -3.057671      6.032798      0.289379
  C      -3.333447      5.868791      1.621327
  C      -4.595080      5.355157      2.053600
  C      -1.480722      0.202749      3.148222
  C      -1.707734      1.114225      1.932934
  O      -2.717233      2.142318      2.133576
  C      -3.802954      1.780218      2.852433
  O      -3.715687      1.830099      4.138720
  C      -5.022028      1.360706      2.234538
  N      -5.975200      0.903772      3.126903
  C      -7.131056      0.437707      2.627575
  N      -7.477392      0.387151      1.345005
  C      -6.546442      0.873612      0.421824
  C      -6.885795      0.860220     -0.953343
  C      -5.987610      1.358566     -1.924039
  C      -4.729003      1.892221     -1.549933
  C      -4.368558      1.912108     -0.217199
  C      -5.258489      1.392475      0.804410
  C      -4.305441     -0.280055      6.360569
  C      -5.378089     -0.019878      7.407402
  O      -5.919421      1.315897      7.263205
  C      -7.146917      1.403455      6.683413
  O      -7.787445      0.441109      6.277635
  C      -7.634450      2.835687      6.626891
  N      -7.037897      3.702818      7.440564
  C      -7.478803      4.996816      7.418939
  N      -8.412442      5.513381      6.642150
  C      -9.034987      4.637622      5.797108
  C     -10.041659      5.145827      4.940808
  C     -10.707649      4.281610      4.098207
  C     -10.391613      2.881787      4.084025
  C      -9.410653      2.359311      4.899459
  C      -8.698729      3.223567      5.766789
  H      -3.247219      3.962158      8.597468
  H      -4.237505      3.113581      7.393197
  H      -3.069800      5.852515      6.741223
  H      -4.626366      5.628197      7.578844
  H      -8.042053      3.879065      2.960564
  H      -6.006964      4.926030     -0.997947
  H      -3.769839      5.846387     -1.715542
  H      -2.086370      6.427139     -0.028722
  H      -2.602769      6.153293      2.344261
  H      -2.413419     -0.355080      3.344797
  H      -0.740060     -0.558337      2.844511
  H      -2.014569      0.497360      1.064440
  H      -0.805580      1.674428      1.671356
  H      -7.869036      0.057089      3.380349
  H      -7.873168      0.450986     -1.206856
  H      -6.253929      1.347464     -2.980648
  H      -4.028598      2.309225     -2.317571
  H      -3.404666      2.358973      0.051244
  H      -4.706521      0.009965      5.373528
  H      -4.104733     -1.369013      6.337503
  H      -6.189134     -0.749371      7.301900
  H      -4.974444     -0.057458      8.427357
  H      -6.997556      5.679688      8.131917
  H     -10.265402      6.225082      4.983277
  H     -11.482809      4.670786      3.438814
  H     -10.928412      2.208921      3.417709
  H      -9.183429      1.282630      4.893210
  N      -1.200440      3.874203      4.081377
  H      -1.514742      4.806222      4.370087
  H      -1.570481      3.693487      3.151755
  H      -0.171334      3.890370      4.013271
99
Coordinates from ORCA-job orca E -6652.844152048549
  N      -2.199280      3.347463      6.875377
  Mo     -2.258487      1.885263      5.532710
  N      -3.060781      0.451623      6.598752
  C      -2.254099     -0.199803      7.643829
  C      -1.139346      0.736934      8.117855
  N      -0.513378      1.392085      6.932928
  C       0.126142      2.703194      7.243984
  C      -0.956713      3.718126      7.566158
  C       0.447525      0.485322      6.248759
  C       0.405588      0.785018      4.755841
  N      -1.003705      0.891666      4.372524
  H      -0.612008      4.717647      7.286773
  H      -1.123232      3.746489      8.644901
  H       0.675531      3.002141      6.354672
  H       0.852014      2.606365      8.057825
  H       0.906204     -0.023467      4.206490
  H       0.963848      1.718119      4.532646
  H       0.104358     -0.545689      6.416593
  H       1.461123      0.596238      6.681747
  H      -2.876722     -0.474744      8.509511
  H      -1.838254     -1.145223      7.250076
  H      -1.565804      1.529244      8.742420
  H      -0.377422      0.198051      8.706333
  C      -3.416607      3.831432      7.510662
  C      -3.894350      5.158534      6.925036
  O      -4.603106      4.905268      5.700921
  C      -4.174565      5.447380      4.571347
  O      -3.186689      6.112452      4.487347
  C      -5.071659      5.114848      3.425888
  N      -6.274617      4.627118      3.747642
  C      -7.105793      4.322453      2.741239
  N      -6.858571      4.476974      1.463241
  C      -5.624771      4.963577      1.101366
  C      -5.309574      5.123087     -0.270554
  C      -4.066245      5.593938     -0.682209
  C      -3.102550      5.924921      0.262799
  C      -3.380394      5.790785      1.610374
  C      -4.649487      5.309074      2.070522
  C      -1.459075      0.221326      3.145810
  C      -1.660087      1.141458      1.932267
  O      -2.672416      2.165813      2.118213
  C      -3.768332      1.808593      2.823907
  O      -3.695881      1.850239      4.112397
  C      -4.982313      1.423247      2.196735
  N      -5.940017      1.010601      3.083645
  C      -7.091299      0.559388      2.578144
  N      -7.424253      0.473341      1.302043
  C      -6.487570      0.920682      0.380149
  C      -6.809501      0.862161     -0.991285
  C      -5.905358      1.318115     -1.962754
  C      -4.656007      1.852410     -1.591927
  C      -4.310316      1.910645     -0.258827
  C      -5.207220      1.431393      0.762774
  C      -4.308228     -0.270251      6.317866
  C      -5.390516     -0.037274      7.357710
  O      -5.922432      1.300705      7.241476
  C      -7.153121      1.407625      6.672023
  O      -7.792712      0.467653      6.241709
  C      -7.637888      2.835885      6.650263
  N      -7.033198      3.685157      7.482818
  C      -7.468810      4.974235      7.493978
  N      -8.401189      5.502147      6.727193
  C      -9.034430      4.643936      5.865205
  C     -10.041010      5.165574      5.022031
  C     -10.717982      4.319446      4.168276
  C     -10.415624      2.925316      4.132444
  C      -9.436151      2.389143      4.935268
  C      -8.707865      3.236376      5.805908
  H      -3.241714      3.951835      8.594516
  H      -4.233926      3.106194      7.399577
  H      -3.079646      5.845032      6.731340
  H      -4.620964      5.623220      7.588858
  H      -8.094130      3.923589      3.038465
  H      -6.070290      4.844115     -0.977915
  H      -3.818389      5.706867     -1.748222
  H      -2.120868      6.289339     -0.082346
  H      -2.642935      6.072438      2.321599
  H      -2.398298     -0.330743      3.326778
  H      -0.723308     -0.543760      2.850339
  H      -1.947118      0.529126      1.051051
  H      -0.752704      1.708243      1.690965
  H      -7.834900      0.220573      3.331865
  H      -7.790498      0.451846     -1.243999
  H      -6.158449      1.272951     -3.018386
  H      -3.950097      2.236857     -2.361802
  H      -3.352346      2.352858      0.009085
  H      -4.703185      0.040347      5.334772
  H      -4.105054     -1.357425      6.274941
  H      -6.201800     -0.757633      7.222268
  H      -5.001454     -0.105308      8.377666
  H      -6.980196      5.643004      8.224163
  H     -10.256218      6.239952      5.086250
  H     -11.492635      4.719479      3.517943
  H     -10.963257      2.266234      3.461371
  H      -9.220599      1.315752      4.915134
  N      -1.158754      3.887201      4.076107
  H      -1.467268      4.815942      4.352073
  H      -1.525729      3.699295      3.154461
  H      -0.134701      3.897462      4.010925
99
Coordinates from ORCA-job orca E -6652.848109045826
  N      -2.210512      3.346213      6.868914
  Mo     -2.254666      1.880641      5.526037
  N      -3.052055      0.460733      6.599226
  C      -2.249913     -0.174664      7.651669
  C      -1.133346      0.761675      8.111958
  N      -0.511453      1.402873      6.919735
  C       0.124689      2.712494      7.215142
  C      -0.966080      3.742224      7.544479
  C       0.451335      0.491316      6.243613
  C       0.409147      0.781714      4.752778
  N      -0.994334      0.889007      4.375987
  H      -0.616696      4.760850      7.242893
  H      -1.138638      3.787360      8.643450
  H       0.663776      3.007780      6.308498
  H       0.862598      2.609598      8.023176
  H       0.906802     -0.029917      4.205378
  H       0.960912      1.708732      4.526187
  H       0.112615     -0.536038      6.414852
  H       1.458813      0.604574      6.674551
  H      -2.873454     -0.430068      8.516371
  H      -1.837691     -1.126305      7.277046
  H      -1.556281      1.561043      8.729845
  H      -0.370528      0.227573      8.702079
  C      -3.423411      3.813498      7.532120
  C      -3.916953      5.141700      6.962284
  O      -4.614849      4.870290      5.728929
  C      -4.185618      5.446087      4.592853
  O      -3.210172      6.131414      4.505257
  C      -5.084328      5.112755      3.450818
  N      -6.265724      4.630130      3.761788
  C      -7.088593      4.313404      2.743250
  N      -6.850610      4.454312      1.467928
  C      -5.633294      4.934689      1.116890
  C      -5.321232      5.074664     -0.257873
  C      -4.088596      5.534260     -0.657185
  C      -3.133363      5.877957      0.307594
  C      -3.410756      5.765356      1.659515
  C      -4.668533      5.293348      2.101528
  C      -1.437797      0.218817      3.148753
  C      -1.621192      1.142907      1.936228
  O      -2.640692      2.170436      2.117158
  C      -3.751240      1.812504      2.819386
  O      -3.683490      1.838853      4.110895
  C      -4.977609      1.439452      2.185780
  N      -5.935704      1.044067      3.065608
  C      -7.096625      0.601212      2.550258
  N      -7.431400      0.518038      1.280731
  C      -6.494493      0.942624      0.362212
  C      -6.818587      0.880836     -1.005883
  C      -5.917315      1.302125     -1.978691
  C      -4.662998      1.809489     -1.609630
  C      -4.312367      1.878531     -0.274509
  C      -5.209390      1.433453      0.746793
  C      -4.292643     -0.260281      6.305763
  C      -5.393359     -0.044615      7.328791
  O      -5.926050      1.290827      7.224912
  C      -7.151363      1.411415      6.652852
  O      -7.779274      0.492412      6.197426
  C      -7.640383      2.832649      6.660259
  N      -7.038766      3.659882      7.522614
  C      -7.472547      4.942062      7.553345
  N      -8.398072      5.483543      6.771879
  C      -9.030253      4.647501      5.879368
  C     -10.030907      5.185240      5.020382
  C     -10.712551      4.361540      4.146046
  C     -10.423869      2.974373      4.106372
  C      -9.450338      2.422689      4.922152
  C      -8.711828      3.248048      5.807766
  H      -3.233874      3.927160      8.613435
  H      -4.233246      3.079068      7.431133
  H      -3.104876      5.850575      6.776517
  H      -4.661924      5.592575      7.632603
  H      -8.066429      3.917575      3.032445
  H      -6.071141      4.777739     -0.984228
  H      -3.837228      5.623297     -1.732545
  H      -2.156217      6.228510     -0.031765
  H      -2.678281      6.051658      2.386411
  H      -2.381327     -0.326876      3.321734
  H      -0.704971     -0.548571      2.860753
  H      -1.895608      0.531824      1.046700
  H      -0.709775      1.720373      1.704434
  H      -7.841266      0.283143      3.302396
  H      -7.803311      0.488239     -1.260926
  H      -6.175186      1.249345     -3.035512
  H      -3.957163      2.164184     -2.381881
  H      -3.349192      2.302817     -0.005525
  H      -4.675983      0.059237      5.325711
  H      -4.084269     -1.342729      6.254644
  H      -6.198683     -0.761835      7.168755
  H      -5.024777     -0.128561      8.350407
  H      -6.993334      5.591054      8.317666
  H     -10.239149      6.253718      5.093655
  H     -11.482190      4.775041      3.482629
  H     -10.978359      2.332036      3.422338
  H      -9.246467      1.353287      4.902519
  N      -1.131726      3.891346      4.066696
  H      -1.435253      4.813792      4.353373
  H      -1.505321      3.718827      3.144176
  H      -0.117493      3.902123      3.996303
99
Coordinates from ORCA-job orca E -6652.849163232383
  N      -2.226608      3.345389      6.871548
  Mo     -2.268774      1.878602      5.524002
  N      -3.049113      0.452482      6.598430
  C      -2.233435     -0.174607      7.646727
  C      -1.120173      0.768515      8.097649
  N      -0.509541      1.415596      6.900331
  C       0.116452      2.731029      7.195054
  C      -0.986164      3.744475      7.535264
  C       0.455415      0.509163      6.217325
  C       0.398982      0.795368      4.727790
  N      -1.006220      0.891471      4.364459
  H      -0.648668      4.753658      7.242713
  H      -1.157185      3.782481      8.620159
  H       0.643635      3.034489      6.282541
  H       0.860509      2.633462      7.998182
  H       0.896640     -0.014293      4.174673
  H       0.940238      1.724991      4.496183
  H       0.129121     -0.519693      6.391025
  H       1.462074      0.631269      6.637406
  H      -2.850036     -0.428366      8.517322
  H      -1.820165     -1.126881      7.271116
  H      -1.543936      1.565355      8.719219
  H      -0.348697      0.240766      8.680765
  C      -3.438347      3.803799      7.547010
  C      -3.933560      5.142161      7.008814
  O      -4.622569      4.892448      5.757699
  C      -4.175515      5.479916      4.626589
  O      -3.199453      6.167965      4.555545
  C      -5.059717      5.143623      3.461599
  N      -6.237733      4.646665      3.752572
  C      -7.051737      4.320275      2.722692
  N      -6.809295      4.452676      1.456764
  C      -5.592927      4.947234      1.127727
  C      -5.275993      5.079954     -0.234064
  C      -4.041849      5.561468     -0.613511
  C      -3.087456      5.938893      0.360084
  C      -3.370634      5.830630      1.698912
  C      -4.632840      5.331532      2.122291
  C      -1.443442      0.219029      3.141281
  C      -1.644707      1.139711      1.933193
  O      -2.664671      2.168550      2.122354
  C      -3.774337      1.798653      2.829118
  O      -3.703318      1.826090      4.119258
  C      -5.003079      1.413798      2.197532
  N      -5.947452      1.008539      3.070912
  C      -7.111271      0.554400      2.557428
  N      -7.460232      0.469625      1.294298
  C      -6.537744      0.901555      0.382313
  C      -6.878380      0.839656     -0.978753
  C      -5.992618      1.268063     -1.943129
  C      -4.733750      1.785065     -1.570279
  C      -4.366986      1.854642     -0.242962
  C      -5.249648      1.404268      0.768171
  C      -4.288225     -0.275934      6.318207
  C      -5.392543     -0.043789      7.333463
  O      -5.925677      1.287995      7.206577
  C      -7.158633      1.394614      6.645764
  O      -7.798976      0.466439      6.224426
  C      -7.637448      2.818191      6.624783
  N      -7.046253      3.639019      7.468098
  C      -7.473970      4.921208      7.478062
  N      -8.384570      5.466689      6.698932
  C      -9.003478      4.638314      5.824949
  C      -9.986239      5.181888      4.970388
  C     -10.651509      4.369374      4.109980
  C     -10.362888      2.988290      4.073884
  C      -9.407550      2.430091      4.884866
  C      -8.688477      3.242629      5.765803
  H      -3.246932      3.896673      8.629660
  H      -4.250119      3.072199      7.429833
  H      -3.119771      5.865214      6.852465
  H      -4.689262      5.568122      7.689983
  H      -8.029986      3.920667      2.996839
  H      -6.023218      4.759892     -0.967784
  H      -3.785653      5.646808     -1.678632
  H      -2.104694      6.314101      0.035701
  H      -2.640047      6.146279      2.434115
  H      -2.381687     -0.330773      3.321280
  H      -0.704549     -0.541650      2.848549
  H      -1.927184      0.529955      1.052654
  H      -0.740518      1.715910      1.692893
  H      -7.842234      0.227952      3.307793
  H      -7.864628      0.437910     -1.234188
  H      -6.263250      1.214737     -2.994999
  H      -4.039578      2.143674     -2.335666
  H      -3.401827      2.284528      0.026271
  H      -4.668111      0.023422      5.334587
  H      -4.076791     -1.355245      6.288562
  H      -6.198214     -0.763036      7.185503
  H      -5.024427     -0.111662      8.354923
  H      -7.003867      5.568737      8.222740
  H     -10.194268      6.246984      5.036996
  H     -11.407194      4.788518      3.451907
  H     -10.902927      2.355499      3.396322
  H      -9.204804      1.365037      4.869037
  N      -1.154176      3.893366      4.073395
  H      -1.438015      4.836434      4.376794
  H      -1.557962      3.730894      3.144897
  H      -0.128872      3.882102      3.987672
99
Coordinates from ORCA-job orca E -6652.851047942466
  N      -2.220036      3.351505      6.887301
  Mo     -2.280537      1.890993      5.530687
  N      -3.044432      0.448079      6.599965
  C      -2.211374     -0.200820      7.624829
  C      -1.095985      0.739901      8.079367
  N      -0.500348      1.408222      6.883673
  C       0.123396      2.725108      7.197126
  C      -0.978578      3.733490      7.555081
  C       0.459608      0.515874      6.172031
  C       0.382016      0.824340      4.682526
  N      -1.030420      0.914215      4.336536
  H      -0.649545      4.743565      7.278435
  H      -1.138789      3.750890      8.642227
  H       0.649396      3.040528      6.285277
  H       0.873118      2.621561      8.003035
  H       0.877558      0.023941      4.110219
  H       0.916151      1.765339      4.456496
  H       0.142205     -0.521818      6.337305
  H       1.473914      0.641273      6.581993
  H      -2.815082     -0.479390      8.500464
  H      -1.797411     -1.143874      7.219859
  H      -1.515619      1.526835      8.720542
  H      -0.315662      0.202267      8.646964
  C      -3.426342      3.809763      7.566514
  C      -3.919685      5.151933      7.036720
  O      -4.600488      4.913283      5.778896
  C      -4.149740      5.526171      4.666491
  O      -3.176521      6.242532      4.620588
  C      -5.010987      5.174378      3.484867
  N      -6.181903      4.660653      3.769367
  C      -6.977146      4.326022      2.730416
  N      -6.721728      4.452413      1.461148
  C      -5.514324      4.964976      1.141658
  C      -5.187729      5.095423     -0.214721
  C      -3.965269      5.601066     -0.578051
  C      -3.028917      6.004379      0.402607
  C      -3.320189      5.896174      1.733832
  C      -4.574391      5.372112      2.145689
  C      -1.484528      0.241301      3.123177
  C      -1.723792      1.160712      1.924104
  O      -2.742600      2.182187      2.132628
  C      -3.831179      1.803077      2.850815
  O      -3.743438      1.843152      4.139056
  C      -5.050467      1.390998      2.228761
  N      -5.976087      0.966495      3.096670
  C      -7.126698      0.491138      2.582659
  N      -7.484653      0.390652      1.315477
  C      -6.581907      0.838719      0.410178
  C      -6.934344      0.753000     -0.957352
  C      -6.067215      1.200883     -1.912704
  C      -4.816297      1.762331     -1.523726
  C      -4.440079      1.846628     -0.194004
  C      -5.302903      1.376636      0.806744
  C      -4.291992     -0.277117      6.330049
  C      -5.391817     -0.024962      7.351858
  O      -5.918824      1.312728      7.198981
  C      -7.161594      1.404912      6.655962
  O      -7.810545      0.459258      6.271335
  C      -7.637032      2.833378      6.599643
  N      -7.059346      3.672598      7.443612
  C      -7.492768      4.954460      7.435893
  N      -8.397799      5.481011      6.650319
  C      -9.001195      4.635104      5.773961
  C      -9.975541      5.158183      4.907710
  C     -10.618852      4.327715      4.026092
  C     -10.315629      2.949836      3.981737
  C      -9.370279      2.410460      4.811301
  C      -8.675088      3.240354      5.717308
  H      -3.231401      3.896770      8.648004
  H      -4.240784      3.082499      7.447350
  H      -3.106867      5.875297      6.891312
  H      -4.679491      5.571843      7.714695
  H      -7.951772      3.919625      3.000539
  H      -5.921490      4.759406     -0.952002
  H      -3.704626      5.691709     -1.632958
  H      -2.054966      6.401340      0.090573
  H      -2.605193      6.233479      2.478531
  H      -2.412066     -0.312259      3.325643
  H      -0.742129     -0.515343      2.811343
  H      -2.021788      0.558006      1.057644
  H      -0.832899      1.727882      1.666925
  H      -7.841630      0.148899      3.327257
  H      -7.912253      0.320846     -1.223222
  H      -6.345806      1.132293     -2.968480
  H      -4.137486      2.134672     -2.281563
  H      -3.483989      2.300986      0.082636
  H      -4.673102      0.016942      5.340114
  H      -4.091245     -1.363534      6.308753
  H      -6.204429     -0.748598      7.220631
  H      -5.018182     -0.075372      8.380269
  H      -7.033706      5.618360      8.176578
  H     -10.193698      6.222277      4.975859
  H     -11.367106      4.731139      3.355758
  H     -10.836137      2.303646      3.280965
  H      -9.157423      1.347298      4.789130
  N      -1.196406      3.906968      4.085911
  H      -1.474252      4.833577      4.392588
  H      -1.593122      3.761256      3.161483
  H      -0.186364      3.902834      3.991154
99
Coordinates from ORCA-job orca E -6652.852103185095
  N      -2.218230      3.353675      6.898971
  Mo     -2.287476      1.892192      5.539868
  N      -3.040309      0.437084      6.607856
  C      -2.189789     -0.221563      7.614545
  C      -1.078157      0.722915      8.070076
  N      -0.492136      1.407829      6.875501
  C       0.125343      2.727910      7.199831
  C      -0.976546      3.723315      7.569288
  C       0.467891      0.528682      6.146009
  C       0.372371      0.843836      4.654327
  N      -1.046378      0.919302      4.323591
  H      -0.649731      4.731946      7.310312
  H      -1.138279      3.722215      8.651871
  H       0.648967      3.055255      6.292310
  H       0.873666      2.624661      8.004181
  H       0.868693      0.050597      4.070774
  H       0.899751      1.792152      4.425726
  H       0.161940     -0.514276      6.312105
  H       1.487565      0.665416      6.544839
  H      -2.782837     -0.520732      8.495111
  H      -1.771754     -1.154893      7.186377
  H      -1.499370      1.500865      8.721780
  H      -0.291503      0.185182      8.628321
  C      -3.429503      3.815461      7.572141
  C      -3.918143      5.162780      7.051784
  O      -4.592459      4.943259      5.787903
  C      -4.125067      5.558756      4.690202
  O      -3.145052      6.278097      4.666418
  C      -4.965865      5.208145      3.489343
  N      -6.132355      4.678436      3.759328
  C      -6.908975      4.343085      2.706743
  N      -6.634378      4.471803      1.430355
  C      -5.434474      5.004647      1.129358
  C      -5.094298      5.143447     -0.227780
  C      -3.885983      5.677127     -0.570831
  C      -2.973752      6.097787      0.428449
  C      -3.275299      5.977680      1.757197
  C      -4.517318      5.424305      2.151549
  C      -1.506551      0.243961      3.107360
  C      -1.763522      1.165726      1.908767
  O      -2.790650      2.190050      2.142575
  C      -3.873583      1.790219      2.877237
  O      -3.763722      1.837994      4.164962
  C      -5.103509      1.337882      2.269361
  N      -6.013366      0.878934      3.144491
  C      -7.163818      0.391725      2.654656
  N      -7.543649      0.309480      1.398226
  C      -6.658999      0.787732      0.487876
  C      -7.032276      0.729451     -0.862356
  C      -6.181208      1.211868     -1.818659
  C      -4.928754      1.776581     -1.452901
  C      -4.534044      1.834787     -0.143695
  C      -5.377107      1.337284      0.862334
  C      -4.293483     -0.289419      6.352521
  C      -5.385716     -0.021178      7.383294
  O      -5.915837      1.317006      7.209315
  C      -7.156147      1.396588      6.666561
  O      -7.806134      0.436804      6.310736
  C      -7.630747      2.826576      6.577027
  N      -7.067628      3.679939      7.418076
  C      -7.502904      4.960788      7.380675
  N      -8.397662      5.473242      6.575926
  C      -8.983410      4.614070      5.699518
  C      -9.943245      5.121649      4.803539
  C     -10.563054      4.279537      3.902493
  C     -10.249720      2.905603      3.867499
  C      -9.319387      2.380564      4.730077
  C      -8.651143      3.221038      5.662055
  H      -3.241051      3.897366      8.656976
  H      -4.247441      3.091322      7.440736
  H      -3.104643      5.884078      6.919240
  H      -4.677585      5.574395      7.730500
  H      -7.877774      3.922394      2.963437
  H      -5.812355      4.800476     -0.975356
  H      -3.621176      5.783235     -1.619005
  H      -2.013508      6.524192      0.134837
  H      -2.580883      6.331708      2.519139
  H      -2.429117     -0.322522      3.321146
  H      -0.760438     -0.506074      2.781745
  H      -2.073066      0.552609      1.044480
  H      -0.871161      1.741474      1.635437
  H      -7.863462      0.019359      3.399277
  H      -8.009879      0.295663     -1.109238
  H      -6.473370      1.168786     -2.856708
  H      -4.264783      2.172618     -2.213466
  H      -3.579089      2.290717      0.111996
  H      -4.680239     -0.006494      5.358983
  H      -4.094715     -1.379021      6.341363
  H      -6.199700     -0.752776      7.270711
  H      -5.002226     -0.052637      8.414617
  H      -7.052203      5.638948      8.109404
  H     -10.167421      6.184495      4.857566
  H     -11.298865      4.671536      3.206375
  H     -10.748643      2.251073      3.144197
  H      -9.098149      1.320986      4.712192
  N      -1.231929      3.904200      4.091620
  H      -1.497728      4.842976      4.418625
  H      -1.653558      3.767040      3.164175
  H      -0.211749      3.886888      3.979350
99
Coordinates from ORCA-job orca E -6652.851564966109
  N      -2.226284      3.361059      6.916751
  Mo     -2.301444      1.899053      5.552575
  N      -3.035825      0.426042      6.618100
  C      -2.168566     -0.240968      7.605654
  C      -1.062409      0.703842      8.064481
  N      -0.488812      1.409947      6.876082
  C       0.118005      2.731758      7.216911
  C      -0.986185      3.722431      7.604096
  C       0.472648      0.549332      6.126637
  C       0.359604      0.880758      4.635704
  N      -1.062593      0.938086      4.312842
  H      -0.658561      4.752943      7.361812
  H      -1.154861      3.700327      8.703240
  H       0.641785      3.072482      6.315755
  H       0.863224      2.618976      8.021246
  H       0.861373      0.100441      4.039645
  H       0.873140      1.839775      4.409437
  H       0.181056     -0.501039      6.286453
  H       1.495957      0.695524      6.517043
  H      -2.751792     -0.560245      8.487035
  H      -1.746359     -1.163013      7.156722
  H      -1.484085      1.470314      8.728582
  H      -0.269223      0.162232      8.609579
  C      -3.446507      3.825257      7.578596
  C      -3.927705      5.174039      7.057132
  O      -4.588069      4.968398      5.789066
  C      -4.118095      5.576387      4.703354
  O      -3.145815      6.291393      4.696151
  C      -4.930504      5.225119      3.481689
  N      -6.099572      4.675019      3.728941
  C      -6.852712      4.342042      2.657561
  N      -6.549319      4.486543      1.376688
  C      -5.348463      5.039901      1.103055
  C      -4.981671      5.192687     -0.252969
  C      -3.774356      5.741414     -0.568035
  C      -2.886981      6.163234      0.456157
  C      -3.212876      6.031252      1.782004
  C      -4.455708      5.460455      2.149387
  C      -1.523107      0.257618      3.103911
  C      -1.803618      1.174360      1.906493
  O      -2.845277      2.190286      2.159053
  C      -3.914634      1.779292      2.907774
  O      -3.788135      1.827867      4.195548
  C      -5.150528      1.294995      2.314103
  N      -6.027253      0.812582      3.213358
  C      -7.175974      0.332190      2.744998
  N      -7.592951      0.275859      1.478342
  C      -6.742695      0.767826      0.544585
  C      -7.156051      0.736220     -0.815366
  C      -6.338985      1.230443     -1.795611
  C      -5.084604      1.776841     -1.447321
  C      -4.652595      1.813453     -0.129891
  C      -5.458617      1.309459      0.902320
  C      -4.290993     -0.302203      6.377901
  C      -5.371461     -0.023459      7.419998
  O      -5.906185      1.311821      7.231022
  C      -7.143664      1.379791      6.689990
  O      -7.797764      0.408989      6.366153
  C      -7.613517      2.809750      6.563320
  N      -7.064954      3.673609      7.394245
  C      -7.498760      4.951573      7.325787
  N      -8.378201      5.450873      6.503657
  C      -8.945788      4.582245      5.634155
  C      -9.886405      5.075919      4.714045
  C     -10.483409      4.226505      3.806389
  C     -10.164574      2.858859      3.786655
  C      -9.253110      2.346555      4.674743
  C      -8.611570      3.193225      5.620323
  H      -3.268744      3.904650      8.668597
  H      -4.266543      3.103706      7.435167
  H      -3.117840      5.892184      6.934176
  H      -4.685162      5.579231      7.729301
  H      -7.818528      3.900762      2.891573
  H      -5.683902      4.853247     -1.015349
  H      -3.494557      5.863978     -1.608186
  H      -1.931062      6.608035      0.187693
  H      -2.539377      6.390516      2.564214
  H      -2.436887     -0.322986      3.329063
  H      -0.768317     -0.479400      2.769824
  H      -2.117524      0.544657      1.050161
  H      -0.911670      1.764603      1.613275
  H      -7.847534     -0.063476      3.500261
  H      -8.134058      0.317811     -1.045367
  H      -6.661199      1.210266     -2.838895
  H      -4.449799      2.177324     -2.228025
  H      -3.699514      2.253970      0.109116
  H      -4.685731     -0.028243      5.384697
  H      -4.092069     -1.392691      6.373799
  H      -6.185716     -0.759360      7.329816
  H      -4.973752     -0.038678      8.446710
  H      -7.057699      5.640599      8.038305
  H     -10.112775      6.135411      4.749661
  H     -11.203625      4.608397      3.090259
  H     -10.642662      2.199670      3.052643
  H      -9.026251      1.292842      4.666180
  N      -1.282649      3.911706      4.109059
  H      -1.541054      4.852448      4.459624
  H      -1.721267      3.789198      3.178302
  H      -0.256706      3.886955      3.978136
99
Coordinates from ORCA-job orca E -6652.850484579258
  N      -2.225193      3.358409      6.938926
  Mo     -2.306380      1.903351      5.558207
  N      -3.040299      0.417332      6.620003
  C      -2.162412     -0.258087      7.594190
  C      -1.060771      0.686193      8.059302
  N      -0.486641      1.405184      6.875204
  C       0.114274      2.726846      7.232855
  C      -0.987214      3.700822      7.636628
  C       0.476371      0.554608      6.113361
  C       0.356276      0.898030      4.621513
  N      -1.066653      0.946825      4.304708
  H      -0.653974      4.727579      7.426080
  H      -1.169179      3.653259      8.721461
  H       0.632826      3.084436      6.346151
  H       0.850461      2.605309      8.027821
  H       0.862245      0.129450      4.015393
  H       0.863348      1.860425      4.402058
  H       0.189439     -0.497378      6.265370
  H       1.498847      0.701744      6.501230
  H      -2.738530     -0.594758      8.477357
  H      -1.736637     -1.170542      7.127988
  H      -1.486369      1.444289      8.727532
  H      -0.267667      0.146048      8.600540
  C      -3.457818      3.844337      7.571289
  C      -3.918724      5.193150      7.037227
  O      -4.571071      4.984348      5.762928
  C      -4.098167      5.598230      4.682130
  O      -3.130938      6.338921      4.683282
  C      -4.898606      5.227003      3.446756
  N      -6.071061      4.659233      3.671862
  C      -6.816954      4.322227      2.588936
  N      -6.494877      4.475633      1.308355
  C      -5.293614      5.051038      1.060940
  C      -4.912565      5.221910     -0.292652
  C      -3.711417      5.794786     -0.584526
  C      -2.843651      6.218324      0.461294
  C      -3.181910      6.068837      1.784513
  C      -4.415541      5.476348      2.125415
  C      -1.527774      0.266351      3.101416
  C      -1.813968      1.170391      1.905893
  O      -2.859184      2.183795      2.164422
  C      -3.921742      1.780077      2.929042
  O      -3.776567      1.824776      4.213056
  C      -5.161591      1.278856      2.357226
  N      -6.020239      0.774847      3.274514
  C      -7.172131      0.286663      2.834226
  N      -7.616161      0.243481      1.572427
  C      -6.782783      0.758185      0.623806
  C      -7.223299      0.749355     -0.729002
  C      -6.424914      1.267656     -1.728479
  C      -5.167375      1.813480     -1.411899
  C      -4.709918      1.833146     -0.101673
  C      -5.494227      1.306181      0.953343
  C      -4.297154     -0.312217      6.387663
  C      -5.365830     -0.034766      7.443375
  O      -5.911825      1.296939      7.255635
  C      -7.142140      1.354888      6.700781
  O      -7.790708      0.376196      6.379664
  C      -7.615716      2.783583      6.562054
  N      -7.075341      3.647574      7.383521
  C      -7.507797      4.926479      7.289085
  N      -8.380938      5.428585      6.449743
  C      -8.939454      4.559809      5.589375
  C      -9.872061      5.056511      4.646392
  C     -10.460653      4.208226      3.746128
  C     -10.139486      2.838409      3.753772
  C      -9.233911      2.323793      4.660654
  C      -8.604446      3.169063      5.604286
  H      -3.302276      3.932162      8.667898
  H      -4.284952      3.126510      7.415521
  H      -3.099169      5.902522      6.918371
  H      -4.676744      5.607083      7.702216
  H      -7.778923      3.857421      2.801222
  H      -5.606044      4.885330     -1.065506
  H      -3.426862      5.938600     -1.617115
  H      -1.898977      6.685054      0.216621
  H      -2.523079      6.429692      2.581089
  H      -2.439798     -0.318591      3.335061
  H      -0.771964     -0.461408      2.761423
  H      -2.134845      0.532222      1.060533
  H      -0.919306      1.761127      1.602549
  H      -7.829237     -0.141361      3.595370
  H      -8.203951      0.333145     -0.931659
  H      -6.765714      1.265797     -2.763613
  H      -4.550321      2.235621     -2.209564
  H      -3.756033      2.280792      0.113620
  H      -4.702334     -0.043499      5.399832
  H      -4.091992     -1.400323      6.380343
  H      -6.176880     -0.777969      7.366787
  H      -4.953173     -0.040820      8.467050
  H      -7.068685      5.614420      7.987823
  H     -10.098393      6.117888      4.657661
  H     -11.175566      4.592115      3.014728
  H     -10.609418      2.180028      3.024471
  H      -9.001880      1.270242      4.667226
  N      -1.310728      3.916743      4.111891
  H      -1.579429      4.818036      4.449010
  H      -1.704875      3.803608      3.185231
  H      -0.316487      3.917678      3.991459
99
Coordinates from ORCA-job orca E -6652.852264288683
  N      -2.214093      3.362206      6.934074
  Mo     -2.296802      1.901291      5.557296
  N      -3.044636      0.423977      6.625797
  C      -2.168641     -0.253283      7.603051
  C      -1.065902      0.686682      8.071003
  N      -0.478951      1.400130      6.888242
  C       0.121439      2.720487      7.255192
  C      -0.981537      3.703840      7.640543
  C       0.485318      0.543204      6.134631
  C       0.367694      0.869414      4.642133
  N      -1.055066      0.922091      4.324443
  H      -0.641486      4.734144      7.424593
  H      -1.183405      3.667021      8.724049
  H       0.661769      3.076458      6.383639
  H       0.835655      2.591187      8.065794
  H       0.871588      0.091057      4.046960
  H       0.881040      1.825026      4.415746
  H       0.199515     -0.504084      6.294357
  H       1.503380      0.691633      6.521003
  H      -2.746430     -0.588683      8.485500
  H      -1.744069     -1.167565      7.136270
  H      -1.494279      1.448227      8.731367
  H      -0.279428      0.147919      8.620278
  C      -3.450366      3.862026      7.549209
  C      -3.911884      5.203892      7.000715
  O      -4.570828      4.979923      5.730728
  C      -4.096167      5.584054      4.641784
  O      -3.122661      6.335136      4.633992
  C      -4.908610      5.202555      3.407740
  N      -6.090676      4.635166      3.642033
  C      -6.860708      4.314259      2.573575
  N      -6.550923      4.489147      1.293179
  C      -5.337421      5.060146      1.034083
  C      -4.966136      5.249488     -0.326748
  C      -3.753687      5.810390     -0.640907
  C      -2.866331      6.199852      0.390519
  C      -3.196218      6.036324      1.724022
  C      -4.437033      5.458361      2.083630
  C      -1.516983      0.236993      3.129159
  C      -1.805371      1.124607      1.931145
  O      -2.827374      2.152162      2.168892
  C      -3.891553      1.777331      2.923138
  O      -3.760878      1.821668      4.207534
  C      -5.122214      1.298796      2.340987
  N      -5.993567      0.807634      3.250381
  C      -7.152878      0.320993      2.799154
  N      -7.593136      0.283479      1.531323
  C      -6.742835      0.796186      0.595610
  C      -7.175765      0.802859     -0.760375
  C      -6.361456      1.311818     -1.754668
  C      -5.096026      1.833386     -1.431174
  C      -4.645151      1.845419     -0.117153
  C      -5.445972      1.327242      0.935224
  C      -4.298358     -0.307931      6.390140
  C      -5.366303     -0.046450      7.450819
  O      -5.926451      1.282590      7.290855
  C      -7.128925      1.354237      6.696899
  O      -7.742259      0.389150      6.318709
  C      -7.620663      2.778833      6.596406
  N      -7.077423      3.636938      7.433355
  C      -7.518701      4.913248      7.359330
  N      -8.406589      5.420336      6.520179
  C      -8.969761      4.556766      5.644868
  C      -9.920425      5.057577      4.703772
  C     -10.521405      4.214916      3.804313
  C     -10.194231      2.845746      3.808484
  C      -9.268282      2.328183      4.705754
  C      -8.626729      3.168072      5.649212
  H      -3.301249      3.964095      8.645423
  H      -4.276682      3.140959      7.399414
  H      -3.087281      5.913543      6.874372
  H      -4.669378      5.625684      7.666878
  H      -7.824552      3.842838      2.791407
  H      -5.677080      4.940212     -1.085157
  H      -3.478312      5.969360     -1.678021
  H      -1.917478      6.658004      0.131180
  H      -2.521319      6.368317      2.507447
  H      -2.431505     -0.335726      3.364696
  H      -0.763046     -0.496359      2.796693
  H      -2.143692      0.494919      1.105122
  H      -0.915202      1.685323      1.624580
  H      -7.822654     -0.116434      3.547063
  H      -8.162572      0.405152     -0.967250
  H      -6.696129      1.318704     -2.792012
  H      -4.466272      2.251500     -2.224034
  H      -3.680774      2.287649      0.107834
  H      -4.706485     -0.037762      5.407668
  H      -4.082011     -1.393078      6.374622
  H      -6.169362     -0.794043      7.362868
  H      -4.952244     -0.064488      8.472132
  H      -7.073339      5.594901      8.068992
  H     -10.151411      6.117624      4.720626
  H     -11.252318      4.601410      3.080438
  H     -10.675439      2.190809      3.085287
  H      -9.028688      1.277227      4.704716
  N      -1.307858      3.908521      4.107288
  H      -1.593317      4.826441      4.438703
  H      -1.695839      3.778017      3.169641
  H      -0.299984      3.914674      4.005221
99
Coordinates from ORCA-job orca E -6652.853658463539
  N      -2.198427      3.344317      6.932282
  Mo     -2.276017      1.886283      5.556779
  N      -3.048973      0.425668      6.625170
  C      -2.191085     -0.251009      7.615763
  C      -1.088849      0.684414      8.092811
  N      -0.478359      1.385216      6.916029
  C       0.130322      2.700739      7.280617
  C      -0.976153      3.685518      7.648717
  C       0.488331      0.519184      6.178152
  C       0.395113      0.841226      4.686561
  N      -1.022872      0.903765      4.348634
  H      -0.629734      4.714779      7.433902
  H      -1.194425      3.651457      8.728889
  H       0.689437      3.052677      6.403347
  H       0.840716      2.573485      8.107061
  H       0.904095      0.061299      4.099443
  H       0.916964      1.791283      4.464940
  H       0.189946     -0.522453      6.335653
  H       1.502203      0.658245      6.577119
  H      -2.782123     -0.577918      8.493514
  H      -1.766902     -1.169852      7.160102
  H      -1.520212      1.451568      8.742057
  H      -0.317062      0.145655      8.656182
  C      -3.437253      3.861234      7.531436
  C      -3.893242      5.193947      6.956467
  O      -4.553707      4.942896      5.692730
  C      -4.102616      5.547647      4.593787
  O      -3.130664      6.302109      4.564449
  C      -4.943743      5.174001      3.381023
  N      -6.131838      4.624059      3.640936
  C      -6.936856      4.316579      2.592289
  N      -6.662658      4.489934      1.312506
  C      -5.442318      5.045395      1.026341
  C      -5.103158      5.238492     -0.339360
  C      -3.875981      5.781479     -0.682623
  C      -2.943913      6.145784      0.323594
  C      -3.245735      5.979885      1.664733
  C      -4.499824      5.423200      2.050660
  C      -1.470665      0.213675      3.141896
  C      -1.717027      1.106547      1.931066
  O      -2.738995      2.140186      2.150333
  C      -3.822021      1.770321      2.898471
  O      -3.712854      1.801538      4.181300
  C      -5.054535      1.327965      2.306489
  N      -5.949935      0.855138      3.205408
  C      -7.120048      0.391019      2.737639
  N      -7.545579      0.372575      1.468178
  C      -6.669305      0.863794      0.542747
  C      -7.087781      0.884482     -0.817807
  C      -6.251295      1.362018     -1.809062
  C      -4.977711      1.842777     -1.473474
  C      -4.539783      1.850271     -0.151536
  C      -5.363019      1.359241      0.895337
  C      -4.307363     -0.297329      6.385662
  C      -5.371389     -0.030516      7.446908
  O      -5.922831      1.302149      7.291773
  C      -7.130873      1.371328      6.688687
  O      -7.754740      0.395328      6.298366
  C      -7.625647      2.798234      6.606872
  N      -7.060848      3.663304      7.443370
  C      -7.506017      4.942891      7.392151
  N      -8.418701      5.449113      6.572081
  C      -9.005421      4.578774      5.697879
  C      -9.988420      5.077085      4.788857
  C     -10.622763      4.224199      3.913424
  C     -10.296706      2.846417      3.909815
  C      -9.337180      2.332096      4.770088
  C      -8.661505      3.182596      5.689091
  H      -3.292246      3.987955      8.622711
  H      -4.265640      3.137834      7.397951
  H      -3.060615      5.899596      6.814273
  H      -4.651624      5.637617      7.613835
  H      -7.899193      3.856506      2.827335
  H      -5.844442      4.947623     -1.080864
  H      -3.621902      5.940093     -1.726173
  H      -1.984022      6.588674      0.041183
  H      -2.536054      6.292836      2.429836
  H      -2.399017     -0.357399      3.354385
  H      -0.719487     -0.525257      2.831209
  H      -2.036526      0.468514      1.083601
  H      -0.810740      1.677455      1.646221
  H      -7.811126     -0.031807      3.475452
  H      -8.082593      0.516952     -1.034027
  H      -6.576601      1.373294     -2.854330
  H      -4.330865      2.237456     -2.261764
  H      -3.565455      2.272334      0.086057
  H      -4.715443     -0.025430      5.404738
  H      -4.098408     -1.382105      6.370084
  H      -6.179119     -0.773012      7.358329
  H      -4.954611     -0.054669      8.467838
  H      -7.042855      5.629434      8.105041
  H     -10.219588      6.142381      4.818402
  H     -11.381919      4.606930      3.222111
  H     -10.806183      2.182509      3.212078
  H      -9.098670      1.274192      4.763311
  N      -1.280272      3.893244      4.104615
  H      -1.570115      4.815468      4.428354
  H      -1.654990      3.759422      3.161993
  H      -0.269264      3.895833      4.021144
99
Coordinates from ORCA-job orca E -6652.853468306335
  N      -2.182077      3.340644      6.927507
  Mo     -2.256902      1.887011      5.552490
  N      -3.048001      0.435439      6.617746
  C      -2.206349     -0.246745      7.617235
  C      -1.099516      0.682785      8.102487
  N      -0.479361      1.374624      6.928229
  C       0.139367      2.686013      7.286730
  C      -0.958626      3.684225      7.645475
  C       0.485468      0.499924      6.201473
  C       0.410062      0.821809      4.708931
  N      -1.006222      0.900516      4.357664
  H      -0.606078      4.710843      7.418179
  H      -1.169761      3.661448      8.731144
  H       0.701981      3.026228      6.407287
  H       0.851705      2.559619      8.115484
  H       0.917802      0.037045      4.128944
  H       0.943630      1.768018      4.491087
  H       0.173034     -0.539261      6.357824
  H       1.499800      0.628201      6.612713
  H      -2.805103     -0.569069      8.490399
  H      -1.783549     -1.168551      7.169773
  H      -1.529498      1.453845      8.748775
  H      -0.335051      0.137583      8.673150
  C      -3.417304      3.849302      7.534845
  C      -3.892247      5.171182      6.944614
  O      -4.561833      4.889796      5.692048
  C      -4.125368      5.513380      4.585545
  O      -3.149985      6.281576      4.541962
  C      -4.989917      5.149491      3.393025
  N      -6.179080      4.623749      3.671372
  C      -6.994150      4.327713      2.627830
  N      -6.729610      4.502142      1.337142
  C      -5.508594      5.029608      1.028539
  C      -5.174423      5.213335     -0.352704
  C      -3.945711      5.720514     -0.712176
  C      -3.010957      6.057164      0.292805
  C      -3.306641      5.901189      1.648975
  C      -4.559276      5.383733      2.050150
  C      -1.462516      0.218844      3.140518
  C      -1.687085      1.125449      1.928037
  O      -2.703320      2.158206      2.140258
  C      -3.790087      1.787563      2.876562
  O      -3.693080      1.822588      4.159411
  C      -5.013418      1.354342      2.273394
  N      -5.928264      0.897576      3.161928
  C      -7.091891      0.440562      2.677150
  N      -7.488680      0.408666      1.405185
  C      -6.593665      0.882173      0.486795
  C      -6.985358      0.879824     -0.882312
  C      -6.128846      1.346105     -1.865657
  C      -4.861073      1.840862     -1.510914
  C      -4.449605      1.862427     -0.181661
  C      -5.294956      1.376469      0.854278
  C      -4.309039     -0.277574      6.362085
  C      -5.377130     -0.013989      7.415944
  O      -5.923667      1.321428      7.264548
  C      -7.142593      1.394850      6.665858
  O      -7.770434      0.420942      6.259069
  C      -7.642030      2.821118      6.604830
  N      -7.065356      3.682558      7.436101
  C      -7.515648      4.963857      7.410420
  N      -8.441823      5.475832      6.615795
  C      -9.043628      4.608667      5.751049
  C     -10.045603      5.111767      4.881967
  C     -10.697812      4.258175      4.031840
  C     -10.370675      2.876406      4.015526
  C      -9.392201      2.358414      4.834754
  C      -8.697001      3.209114      5.724004
  H      -3.263525      3.992949      8.620865
  H      -4.238494      3.114967      7.423663
  H      -3.065566      5.882514      6.778888
  H      -4.654964      5.626215      7.599199
  H      -7.958024      3.883282      2.881602
  H      -5.917705      4.937042     -1.095393
  H      -3.691237      5.866527     -1.772458
  H      -2.050542      6.460968     -0.003922
  H      -2.590419      6.185889      2.410665
  H      -2.398837     -0.342730      3.341429
  H      -0.720387     -0.533460      2.834746
  H      -1.994118      0.497949      1.062522
  H      -0.778357      1.695400      1.662254
  H      -7.798310      0.042327      3.412400
  H      -7.977742      0.504644     -1.115935
  H      -6.435042      1.338958     -2.920320
  H      -4.196422      2.229981     -2.290997
  H      -3.478078      2.292070      0.071374
  H      -4.712619      0.009412      5.380593
  H      -4.110000     -1.364620      6.337010
  H      -6.186596     -0.751420      7.319487
  H      -4.966082     -0.043253      8.438700
  H      -7.043446      5.645501      8.124172
  H     -10.278694      6.179075      4.927397
  H     -11.472626      4.642923      3.374870
  H     -10.896259      2.212127      3.343842
  H      -9.154097      1.296212      4.821094
  N      -1.238670      3.898865      4.104058
  H      -1.542127      4.826176      4.417999
  H      -1.603874      3.753994      3.157249
  H      -0.220425      3.904096      4.041112
99
Coordinates from ORCA-job orca E -6652.852973985606
  N      -2.190714      3.345128      6.906689
  Mo     -2.251415      1.881644      5.541906
  N      -3.051102      0.444003      6.603620
  C      -2.220013     -0.222948      7.622331
  C      -1.111977      0.702442      8.104435
  N      -0.485981      1.378063      6.930273
  C       0.133658      2.688758      7.278620
  C      -0.967285      3.696265      7.625065
  C       0.483270      0.488796      6.227168
  C       0.423326      0.793243      4.740515
  N      -0.986099      0.883698      4.366998
  H      -0.618654      4.720902      7.387051
  H      -1.171949      3.686774      8.713995
  H       0.690553      3.010671      6.396945
  H       0.848339      2.569118      8.104242
  H       0.930057     -0.005897      4.179820
  H       0.963216      1.728940      4.517188
  H       0.167449     -0.543992      6.389405
  H       1.490228      0.613695      6.647049
  H      -2.830657     -0.519467      8.486846
  H      -1.799995     -1.154799      7.199362
  H      -1.541021      1.484075      8.738238
  H      -0.349069      0.159689      8.681987
  C      -3.413437      3.845765      7.533993
  C      -3.900931      5.165349      6.946770
  O      -4.580901      4.872672      5.702750
  C      -4.146240      5.479179      4.579614
  O      -3.167290      6.215083      4.516976
  C      -5.034663      5.137476      3.399336
  N      -6.234376      4.637118      3.693126
  C      -7.065457      4.341731      2.653210
  N      -6.809833      4.495538      1.355642
  C      -5.579676      4.993306      1.033106
  C      -5.263090      5.156550     -0.346542
  C      -4.029275      5.640871     -0.710972
  C      -3.070866      5.977408      0.286626
  C      -3.345681      5.837018      1.636294
  C      -4.608110      5.344164      2.047604
  C      -1.424282      0.210206      3.151028
  C      -1.659266      1.118825      1.949374
  O      -2.673020      2.149213      2.138311
  C      -3.768404      1.784575      2.848902
  O      -3.689778      1.828332      4.143734
  C      -5.004266      1.362358      2.215295
  N      -5.951378      0.920511      3.092231
  C      -7.111299      0.488150      2.585518
  N      -7.466997      0.462327      1.309859
  C      -6.544485      0.911546      0.396394
  C      -6.896331      0.908389     -0.979095
  C      -6.002537      1.361009     -1.940534
  C      -4.730299      1.843679     -1.552350
  C      -4.362432      1.856497     -0.224427
  C      -5.249405      1.384857      0.786445
  C      -4.306702     -0.263755      6.342498
  C      -5.378961     -0.002119      7.384508
  O      -5.917466      1.331388      7.241821
  C      -7.133609      1.414341      6.643783
  O      -7.762067      0.451301      6.220323
  C      -7.626722      2.844507      6.603742
  N      -7.022946      3.704606      7.425231
  C      -7.470901      4.986497      7.434440
  N      -8.422320      5.497459      6.685567
  C      -9.051217      4.630596      5.828178
  C     -10.079145      5.133756      5.006167
  C     -10.757321      4.281007      4.158781
  C     -10.433655      2.897485      4.105309
  C      -9.432691      2.379002      4.885214
  C      -8.707250      3.231070      5.761957
  H      -3.242781      3.988651      8.613265
  H      -4.228050      3.108743      7.439214
  H      -3.083292      5.884509      6.771402
  H      -4.660440      5.618455      7.607782
  H      -8.040096      3.923882      2.920463
  H      -6.021340      4.875938     -1.088419
  H      -3.784535      5.763025     -1.774612
  H      -2.103362      6.365800     -0.016599
  H      -2.611114      6.129482      2.391633
  H      -2.355113     -0.338934      3.340735
  H      -0.676220     -0.546912      2.850597
  H      -1.961723      0.514468      1.092848
  H      -0.766717      1.670766      1.695760
  H      -7.840931      0.121640      3.321197
  H      -7.894362      0.535482     -1.240820
  H      -6.279707      1.353189     -3.000659
  H      -4.033201      2.220767     -2.311728
  H      -3.392778      2.265639      0.048743
  H      -4.701199      0.028038      5.364217
  H      -4.108721     -1.345741      6.319273
  H      -6.190371     -0.727441      7.282915
  H      -4.973912     -0.042537      8.399211
  H      -6.981866      5.665841      8.153206
  H     -10.309748      6.200779      5.081468
  H     -11.550408      4.667153      3.531016
  H     -10.980974      2.232937      3.435733
  H      -9.198223      1.315059      4.847167
  N      -1.195035      3.894285      4.113094
  H      -1.511093      4.822033      4.413911
  H      -1.543398      3.740689      3.163224
  H      -0.174590      3.902545      4.068897
99
Coordinates from ORCA-job orca E -6652.853545288819
  N      -2.190677      3.351967      6.895184
  Mo     -2.246888      1.883869      5.543984
  N      -3.046443      0.454447      6.605694
  C      -2.223914     -0.206110      7.634163
  C      -1.112008      0.720502      8.111271
  N      -0.489315      1.384412      6.932500
  C       0.136224      2.696197      7.262331
  C      -0.961627      3.715255      7.595418
  C       0.477427      0.485650      6.237283
  C       0.420394      0.785254      4.747891
  N      -0.987774      0.881035      4.371411
  H      -0.618182      4.730117      7.333008
  H      -1.149321      3.727287      8.687056
  H       0.689713      3.003621      6.368381
  H       0.862432      2.588823      8.087932
  H       0.922095     -0.022791      4.190699
  H       0.965278      1.720411      4.520946
  H       0.156738     -0.548988      6.405500
  H       1.487127      0.610869      6.660561
  H      -2.839744     -0.489711      8.496872
  H      -1.806429     -1.145286      7.223847
  H      -1.536880      1.510290      8.743765
  H      -0.347747      0.174498      8.691766
  C      -3.402037      3.837292      7.542659
  C      -3.902877      5.150648      6.953730
  O      -4.590039      4.851718      5.714831
  C      -4.158144      5.462738      4.587506
  O      -3.175470      6.195114      4.517685
  C      -5.053098      5.116650      3.417648
  N      -6.251831      4.626660      3.731834
  C      -7.089017      4.332319      2.708079
  N      -6.844715      4.483298      1.416040
  C      -5.613905      4.966169      1.069671
  C      -5.311770      5.129093     -0.297876
  C      -4.076184      5.601583     -0.679871
  C      -3.101683      5.929619      0.285956
  C      -3.362295      5.788936      1.622600
  C      -4.631195      5.311000      2.058576
  C      -1.424695      0.210310      3.141571
  C      -1.648447      1.141654      1.936390
  O      -2.668496      2.180250      2.134579
  C      -3.773442      1.803678      2.837270
  O      -3.701844      1.849573      4.135497
  C      -5.010204      1.389641      2.188173
  N      -5.972599      0.970079      3.051642
  C      -7.124340      0.547735      2.525738
  N      -7.454096      0.507090      1.248723
  C      -6.519782      0.930783      0.343918
  C      -6.845148      0.900022     -1.035086
  C      -5.936046      1.325638     -1.976632
  C      -4.670532      1.808795     -1.562017
  C      -4.327856      1.841682     -0.231823
  C      -5.232560      1.398085      0.756287
  C      -4.295337     -0.256303      6.329215
  C      -5.379624     -0.014351      7.365009
  O      -5.923387      1.316973      7.238308
  C      -7.145885      1.413841      6.649226
  O      -7.768644      0.468022      6.207329
  C      -7.642821      2.838773      6.634124
  N      -7.033133      3.687279      7.449152
  C      -7.476962      4.969762      7.463912
  N      -8.427142      5.491392      6.720417
  C      -9.062712      4.636583      5.868726
  C     -10.083533      5.155852      5.032902
  C     -10.760735      4.319163      4.165553
  C     -10.447705      2.934968      4.117292
  C      -9.456908      2.399486      4.921523
  C      -8.725715      3.237239      5.800636
  H      -3.214367      3.979218      8.616673
  H      -4.209754      3.099299      7.458126
  H      -3.094388      5.867285      6.771220
  H      -4.659202      5.603957      7.613953
  H      -8.071928      3.934705      2.996836
  H      -6.078501      4.850927     -1.021253
  H      -3.838981      5.717674     -1.738371
  H      -2.127702      6.303182     -0.038529
  H      -2.616534      6.072957      2.355925
  H      -2.357376     -0.339855      3.323637
  H      -0.678382     -0.556252      2.839080
  H      -1.941015      0.538259      1.059658
  H      -0.750594      1.707207      1.688622
  H      -7.862738      0.216264      3.262784
  H      -7.836544      0.524173     -1.320860
  H      -6.193247      1.298498     -3.038481
  H      -3.959506      2.159199     -2.304746
  H      -3.366108      2.236114      0.056728
  H      -4.682221      0.053960      5.349895
  H      -4.096105     -1.341574      6.290480
  H      -6.185033     -0.740145      7.246169
  H      -4.986581     -0.069461      8.378908
  H      -6.988484      5.640105      8.185272
  H     -10.306307      6.223610      5.101658
  H     -11.543760      4.720937      3.508184
  H     -10.995276      2.283204      3.429053
  H      -9.230982      1.334074      4.887908
  N      -1.164660      3.895291      4.118441
  H      -1.491944      4.819646      4.415256
  H      -1.510937      3.738020      3.171902
  H      -0.144841      3.915246      4.081415
99
Coordinates from ORCA-job orca E -6652.853872853978
  N      -2.206893      3.348736      6.897401
  Mo     -2.264504      1.888016      5.541549
  N      -3.052602      0.448385      6.604897
  C      -2.229179     -0.212791      7.631309
  C      -1.117439      0.719549      8.107928
  N      -0.502715      1.390885      6.923239
  C       0.127936      2.703451      7.248416
  C      -0.974493      3.717067      7.585872
  C       0.460887      0.497520      6.215306
  C       0.402575      0.819390      4.722479
  N      -1.004310      0.905581      4.350416
  H      -0.634736      4.729779      7.317559
  H      -1.158046      3.730946      8.676084
  H       0.681461      3.017564      6.340352
  H       0.866636      2.596571      8.077008
  H       0.907650      0.023249      4.148939
  H       0.939891      1.763849      4.506280
  H       0.134859     -0.543952      6.371419
  H       1.474701      0.618887      6.642015
  H      -2.844868     -0.502335      8.497751
  H      -1.812269     -1.151661      7.215357
  H      -1.540727      1.506826      8.749209
  H      -0.348312      0.172269      8.683603
  C      -3.420537      3.834532      7.544750
  C      -3.904929      5.159004      6.964593
  O      -4.587971      4.891792      5.722180
  C      -4.155351      5.496165      4.602672
  O      -3.181468      6.215266      4.542390
  C      -5.034167      5.150128      3.427947
  N      -6.217183      4.642794      3.730874
  C      -7.036635      4.327814      2.697218
  N      -6.791040      4.469904      1.407646
  C      -5.574783      4.971847      1.070563
  C      -5.267944      5.127308     -0.301017
  C      -4.042603      5.624104     -0.678860
  C      -3.082257      5.985259      0.296793
  C      -3.349470      5.851400      1.638354
  C      -4.608676      5.347119      2.069875
  C      -1.435224      0.227541      3.141039
  C      -1.663302      1.143372      1.941702
  O      -2.702113      2.156690      2.133195
  C      -3.793452      1.788597      2.845114
  O      -3.711201      1.840935      4.138926
  C      -5.015949      1.377005      2.212862
  N      -5.961464      0.945104      3.082212
  C      -7.117793      0.494121      2.561014
  N      -7.467373      0.434437      1.282205
  C      -6.544433      0.883183      0.378368
  C      -6.883498      0.846184     -0.992539
  C      -5.988640      1.293422     -1.936649
  C      -4.722579      1.806494     -1.532704
  C      -4.361476      1.852852     -0.202268
  C      -5.251803      1.386605      0.788284
  C      -4.299265     -0.273082      6.322986
  C      -5.385116     -0.048851      7.368703
  O      -5.928045      1.287453      7.252104
  C      -7.160932      1.387528      6.680736
  O      -7.799370      0.441751      6.255594
  C      -7.646670      2.817000      6.660740
  N      -7.043878      3.655900      7.482201
  C      -7.474625      4.943293      7.478553
  N      -8.404754      5.478246      6.715295
  C      -9.032063      4.633429      5.857795
  C     -10.027715      5.168849      4.992342
  C     -10.690694      4.345256      4.100102
  C     -10.389353      2.958457      4.056439
  C      -9.424879      2.406270      4.894322
  C      -8.707683      3.230940      5.799822
  H      -3.239877      3.963420      8.625273
  H      -4.234379      3.102432      7.443538
  H      -3.092917      5.863361      6.789827
  H      -4.648760      5.609521      7.625217
  H      -8.012470      3.924145      2.980837
  H      -6.021622      4.823415     -1.035174
  H      -3.799995      5.734235     -1.743027
  H      -2.111911      6.378840     -0.026186
  H      -2.614347      6.157934      2.379248
  H      -2.360612     -0.330717      3.333499
  H      -0.681127     -0.521352      2.836418
  H      -1.946178      0.529141      1.072309
  H      -0.763158      1.723558      1.692347
  H      -7.844033      0.142270      3.302597
  H      -7.871528      0.451911     -1.267563
  H      -6.255083      1.264540     -2.989382
  H      -4.022407      2.176790     -2.278362
  H      -3.398434      2.272496      0.080018
  H      -4.687848      0.045325      5.337749
  H      -4.096025     -1.364898      6.272297
  H      -6.190406     -0.779896      7.236792
  H      -4.994337     -0.115968      8.388767
  H      -6.993620      5.606728      8.202407
  H     -10.240920      6.239417      5.052420
  H     -11.452000      4.760806      3.414465
  H     -10.923950      2.317468      3.342625
  H      -9.207857      1.338738      4.863858
  N      -1.195004      3.900603      4.102918
  H      -1.499872      4.831866      4.411339
  H      -1.571615      3.744996      3.163203
  H      -0.170966      3.901547      4.040485
99
Coordinates from ORCA-job orca E -6652.854540283929
  N      -2.211751      3.346478      6.911050
  Mo     -2.272756      1.889798      5.544447
  N      -3.052024      0.438960      6.606848
  C      -2.218706     -0.231452      7.618488
  C      -1.111152      0.706010      8.097455
  N      -0.502803      1.394259      6.912975
  C       0.119879      2.709001      7.248529
  C      -0.978600      3.709709      7.611350
  C       0.461229      0.514188      6.188646
  C       0.391590      0.842691      4.693276
  N      -1.018746      0.919128      4.340235
  H      -0.633173      4.732694      7.365614
  H      -1.168773      3.699455      8.702858
  H       0.659740      3.040936      6.346515
  H       0.857186      2.596337      8.062830
  H       0.896908      0.055044      4.109718
  H       0.922912      1.791495      4.478797
  H       0.141948     -0.530665      6.341789
  H       1.477290      0.641140      6.606474
  H      -2.824016     -0.539136      8.490521
  H      -1.799293     -1.161654      7.184383
  H      -1.538442      1.483447      8.748188
  H      -0.337626      0.160070      8.666500
  C      -3.441693      3.831647      7.546452
  C      -3.912808      5.169933      6.986960
  O      -4.592909      4.932071      5.731487
  C      -4.139067      5.541029      4.618853
  O      -3.159956      6.266544      4.574751
  C      -4.992358      5.183683      3.427893
  N      -6.166682      4.657110      3.711883
  C      -6.968292      4.334522      2.673746
  N      -6.712388      4.479484      1.397638
  C      -5.502471      5.005579      1.078612
  C      -5.178611      5.164135     -0.284987
  C      -3.958233      5.690306     -0.651001
  C      -3.020846      6.080626      0.332394
  C      -3.307587      5.942944      1.669300
  C      -4.558202      5.401181      2.084156
  C      -1.455916      0.237044      3.135143
  C      -1.692273      1.141171      1.934018
  O      -2.729840      2.156797      2.137814
  C      -3.817247      1.782904      2.865545
  O      -3.718443      1.833793      4.153801
  C      -5.038244      1.350333      2.255833
  N      -5.953130      0.898586      3.139063
  C      -7.111783      0.418924      2.644172
  N      -7.496903      0.353435      1.375683
  C      -6.602833      0.830930      0.460640
  C      -6.974776      0.798779     -0.896650
  C      -6.116996      1.265163     -1.866546
  C      -4.860766      1.788500     -1.508337
  C      -4.461330      1.842517     -0.180256
  C      -5.310915      1.358667      0.839273
  C      -4.304890     -0.283743      6.333135
  C      -5.391870     -0.048460      7.380865
  O      -5.929500      1.292834      7.248530
  C      -7.147360      1.389107      6.666993
  O      -7.772459      0.440127      6.251255
  C      -7.633326      2.817716      6.618305
  N      -7.053454      3.662455      7.456968
  C      -7.487366      4.944983      7.435316
  N      -8.398744      5.470195      6.649660
  C      -9.003501      4.619211      5.780300
  C      -9.985841      5.138292      4.912469
  C     -10.628817      4.305075      4.016889
  C     -10.317162      2.927191      3.960764
  C      -9.364177      2.391003      4.796824
  C      -8.672821      3.223295      5.724073
  H      -3.278925      3.940544      8.638533
  H      -4.263887      3.104893      7.414334
  H      -3.087762      5.873714      6.833115
  H      -4.660710      5.610438      7.657382
  H      -7.941866      3.919547      2.944820
  H      -5.917383      4.845359     -1.021847
  H      -3.705457      5.809719     -1.706311
  H      -2.055457      6.501955      0.021990
  H      -2.593232      6.270216      2.417487
  H      -2.377360     -0.331016      3.343901
  H      -0.701898     -0.503385      2.820678
  H      -1.988198      0.515085      1.077103
  H      -0.788870      1.718944      1.668817
  H      -7.814560      0.033548      3.392407
  H      -7.954545      0.397127     -1.136320
  H      -6.407062      1.240442     -2.908462
  H      -4.193712      2.173402     -2.280971
  H      -3.503499      2.278522      0.073106
  H      -4.695471      0.024647      5.342634
  H      -4.102460     -1.377649      6.290012
  H      -6.201027     -0.783704      7.247710
  H      -5.003990     -0.107558      8.411441
  H      -7.019415      5.615470      8.159121
  H     -10.207277      6.203081      4.980000
  H     -11.382679      4.706020      3.341802
  H     -10.834421      2.278493      3.241513
  H      -9.141807      1.329334      4.761783
  N      -1.217875      3.897741      4.095074
  H      -1.501833      4.831323      4.406164
  H      -1.606436      3.745415      3.159576
  H      -0.195076      3.886648      4.015867
99
Coordinates from ORCA-job orca E -6652.855136184769
  N      -2.209054      3.348293      6.924071
  Mo     -2.285166      1.891697      5.553456
  N      -3.047058      0.433600      6.622208
  C      -2.192030     -0.238365      7.616062
  C      -1.080049      0.697268      8.081110
  N      -0.484061      1.390516      6.894356
  C       0.132271      2.707147      7.239965
  C      -0.972132      3.707507      7.612530
  C       0.475747      0.517796      6.155360
  C       0.375150      0.836951      4.664932
  N      -1.045643      0.913666      4.338524
  H      -0.634426      4.727085      7.363519
  H      -1.158039      3.698917      8.697864
  H       0.676416      3.042021      6.344032
  H       0.865112      2.588548      8.059392
  H       0.872987      0.048059      4.078614
  H       0.903551      1.783666      4.439411
  H       0.172788     -0.524499      6.317029
  H       1.494038      0.652743      6.551181
  H      -2.779933     -0.554921      8.495762
  H      -1.772779     -1.162386      7.170258
  H      -1.501955      1.469397      8.736036
  H      -0.298903      0.154136      8.638938
  C      -3.439342      3.838528      7.550858
  C      -3.907369      5.174427      6.992566
  O      -4.567516      4.940526      5.723802
  C      -4.112523      5.558401      4.630706
  O      -3.146458      6.296735      4.610112
  C      -4.945307      5.197407      3.422008
  N      -6.119721      4.646000      3.674095
  C      -6.899666      4.324893      2.616327
  N      -6.617126      4.493503      1.343173
  C      -5.408117      5.048228      1.059551
  C      -5.055573      5.228352     -0.300216
  C      -3.838241      5.775999     -0.629871
  C      -2.930501      6.164114      0.386038
  C      -3.245203      6.007674      1.719922
  C      -4.491789      5.443575      2.094448
  C      -1.508954      0.241620      3.118063
  C      -1.765638      1.160855      1.917046
  O      -2.783949      2.190839      2.157145
  C      -3.862128      1.792624      2.900178
  O      -3.753441      1.831570      4.182280
  C      -5.085154      1.334412      2.305721
  N      -5.978567      0.855988      3.192996
  C      -7.131742      0.365194      2.719724
  N      -7.535816      0.309266      1.460989
  C      -6.665287      0.806274      0.540812
  C      -7.066415      0.775583     -0.817486
  C      -6.235716      1.262378     -1.800887
  C      -4.982269      1.803985     -1.457476
  C      -4.558928      1.852501     -0.134863
  C      -5.379892      1.346767      0.898172
  C      -4.301100     -0.293150      6.371866
  C      -5.381372     -0.035626      7.420516
  O      -5.926728      1.300401      7.262269
  C      -7.147544      1.375106      6.689696
  O      -7.781434      0.406915      6.319789
  C      -7.632204      2.802888      6.595999
  N      -7.077284      3.660095      7.446349
  C      -7.517610      4.939604      7.391938
  N      -8.413180      5.450234      6.562868
  C      -8.992334      4.587008      5.681147
  C      -9.960526      5.088112      4.777586
  C     -10.584907      4.238958      3.897014
  C     -10.263767      2.864953      3.879151
  C      -9.320436      2.347838      4.737058
  C      -8.653524      3.193718      5.663696
  H      -3.276894      3.947096      8.643572
  H      -4.263155      3.115974      7.416221
  H      -3.083528      5.881517      6.857185
  H      -4.667793      5.604971      7.652507
  H      -7.868330      3.876650      2.859084
  H      -5.775780      4.914524     -1.055143
  H      -3.569976      5.921026     -1.673364
  H      -1.971669      6.602742      0.108773
  H      -2.554286      6.334638      2.493619
  H      -2.434052     -0.329260      3.330942
  H      -0.762340     -0.504568      2.790891
  H      -2.084285      0.547148      1.057161
  H      -0.873269      1.729733      1.640161
  H      -7.819053     -0.047673      3.464592
  H      -8.046972      0.359084     -1.045116
  H      -6.549929      1.233174     -2.848439
  H      -4.337763      2.206087     -2.240943
  H      -3.600366      2.310093      0.110500
  H      -4.701186     -0.011370      5.385660
  H      -4.092810     -1.380450      6.350898
  H      -6.189552     -0.776139      7.312522
  H      -4.983375     -0.067066      8.449529
  H      -7.068567      5.619332      8.123645
  H     -10.190153      6.150538      4.819137
  H     -11.332144      4.623489      3.210582
  H     -10.766229      2.204051      3.176292
  H      -9.091805      1.289365      4.731674
  N      -1.261603      3.904561      4.104683
  H      -1.534542      4.834961      4.433654
  H      -1.667397      3.772512      3.170891
  H      -0.243846      3.893014      4.000770
99
Coordinates from ORCA-job orca E -6652.854406886570
  N      -2.199408      3.344258      6.924911
  Mo     -2.271654      1.892066      5.546451
  N      -3.046810      0.432269      6.605210
  C      -2.196838     -0.243594      7.601971
  C      -1.092999      0.686404      8.083091
  N      -0.484454      1.382303      6.909531
  C       0.125828      2.695162      7.267224
  C      -0.972669      3.688376      7.644889
  C       0.483239      0.510484      6.182383
  C       0.400086      0.834937      4.696226
  N      -1.015395      0.914906      4.343063
  H      -0.627883      4.725490      7.428150
  H      -1.174009      3.652385      8.737561
  H       0.665175      3.037950      6.391778
  H       0.843107      2.569815      8.074273
  H       0.906857      0.050036      4.116796
  H       0.928685      1.781102      4.478038
  H       0.179038     -0.529316      6.336630
  H       1.494874      0.640800      6.589903
  H      -2.793261     -0.563844      8.471121
  H      -1.772259     -1.163105      7.156432
  H      -1.522581      1.455328      8.730324
  H      -0.320566      0.143323      8.645978
  C      -3.431917      3.844342      7.539976
  C      -3.907521      5.170640      6.963003
  O      -4.564567      4.900742      5.698368
  C      -4.130576      5.523794      4.600225
  O      -3.172282      6.289222      4.566158
  C      -4.979923      5.151857      3.400168
  N      -6.165282      4.621175      3.673002
  C      -6.968649      4.314345      2.625978
  N      -6.697761      4.483054      1.343931
  C      -5.479582      5.016780      1.043366
  C      -5.143490      5.201597     -0.321295
  C      -3.918214      5.719900     -0.668202
  C      -2.984521      6.069100      0.332006
  C      -3.283120      5.913127      1.671985
  C      -4.537152      5.382977      2.063591
  C      -1.468617      0.239247      3.130926
  C      -1.709837      1.147813      1.928607
  O      -2.737368      2.168480      2.146537
  C      -3.818172      1.791350      2.879824
  O      -3.717402      1.830433      4.168595
  C      -5.047822      1.342912      2.273484
  N      -5.949086      0.893157      3.167259
  C      -7.107921      0.423729      2.679946
  N      -7.508645      0.365015      1.400459
  C      -6.626086      0.837199      0.481400
  C      -7.014460      0.822372     -0.881456
  C      -6.159560      1.309851     -1.844871
  C      -4.898068      1.828054     -1.482874
  C      -4.498019      1.843663     -0.173535
  C      -5.336158      1.349683      0.851557
  C      -4.304148     -0.282547      6.358368
  C      -5.371537     -0.015886      7.411325
  O      -5.914632      1.317181      7.254918
  C      -7.150422      1.385250      6.689508
  O      -7.804954      0.408769      6.325377
  C      -7.630905      2.817178      6.608162
  N      -7.060004      3.671056      7.449727
  C      -7.504351      4.950352      7.426488
  N      -8.419787      5.463791      6.627256
  C      -9.011559      4.605678      5.743924
  C      -9.996567      5.114125      4.852767
  C     -10.635836      4.272526      3.974809
  C     -10.313148      2.897693      3.952273
  C      -9.352748      2.373579      4.794438
  C      -8.669525      3.212125      5.709139
  H      -3.275032      3.971404      8.626703
  H      -4.249417      3.114213      7.420882
  H      -3.086240      5.889529      6.814775
  H      -4.675531      5.608633      7.619235
  H      -7.934519      3.869571      2.875646
  H      -5.885248      4.918476     -1.060765
  H      -3.665228      5.870152     -1.711699
  H      -2.022768      6.485745      0.042860
  H      -2.571800      6.214272      2.433170
  H      -2.400194     -0.322668      3.331009
  H      -0.722132     -0.506028      2.822643
  H      -2.010958      0.525275      1.066333
  H      -0.809066      1.727188      1.663263
  H      -7.803591      0.034523      3.422949
  H      -8.001460      0.427018     -1.120203
  H      -6.459866      1.302473     -2.888370
  H      -4.234142      2.233619     -2.247244
  H      -3.532185      2.289121      0.086941
  H      -4.706273     -0.001929      5.380192
  H      -4.102289     -1.365191      6.340141
  H      -6.182567     -0.749488      7.322054
  H      -4.959114     -0.043005      8.428329
  H      -7.040004      5.627061      8.150948
  H     -10.226298      6.176794      4.901132
  H     -11.396217      4.663219      3.296025
  H     -10.827820      2.243073      3.256381
  H      -9.120122      1.316045      4.777862
  N      -1.251846      3.914223      4.113190
  H      -1.546859      4.842039      4.430974
  H      -1.627601      3.772493      3.168561
  H      -0.235930      3.912007      4.037175
99
Coordinates from ORCA-job orca E -6652.854798856243
  N      -2.196323      3.347901      6.908999
  Mo     -2.262929      1.883862      5.544094
  N      -3.050344      0.437090      6.609929
  C      -2.208750     -0.229715      7.618372
  C      -1.107964      0.704619      8.098612
  N      -0.485014      1.386327      6.924590
  C       0.130017      2.701738      7.269666
  C      -0.978649      3.695776      7.621281
  C       0.483922      0.505625      6.211690
  C       0.412409      0.815952      4.721715
  N      -1.000934      0.891467      4.356595
  H      -0.638241      4.720679      7.390346
  H      -1.188814      3.676847      8.704449
  H       0.687987      3.034625      6.380743
  H       0.851193      2.588753      8.098770
  H       0.922672      0.024741      4.151815
  H       0.945553      1.760491      4.496268
  H       0.175186     -0.531805      6.375319
  H       1.494706      0.639157      6.624895
  H      -2.813676     -0.542130      8.487106
  H      -1.781303     -1.154689      7.182220
  H      -1.541630      1.481279      8.732986
  H      -0.344512      0.167693      8.674635
  C      -3.419908      3.847362      7.533755
  C      -3.901971      5.178182      6.966069
  O      -4.579370      4.908475      5.715287
  C      -4.130931      5.506946      4.602914
  O      -3.147913      6.251963      4.555015
  C      -4.998358      5.147987      3.408036
  N      -6.190097      4.630309      3.694640
  C      -7.012830      4.333443      2.656051
  N      -6.753403      4.496707      1.364495
  C      -5.530491      5.015689      1.050968
  C      -5.209147      5.195322     -0.322755
  C      -3.979564      5.698624     -0.686322
  C      -3.027278      6.036666      0.304827
  C      -3.309454      5.884575      1.652609
  C      -4.567914      5.371368      2.062431
  C      -1.444698      0.203062      3.150649
  C      -1.673340      1.097533      1.938392
  O      -2.698809      2.126154      2.133226
  C      -3.788322      1.768927      2.860735
  O      -3.698145      1.811993      4.152393
  C      -5.022203      1.341995      2.243472
  N      -5.945535      0.903395      3.132572
  C      -7.106790      0.465126      2.641764
  N      -7.492772      0.430267      1.362929
  C      -6.590936      0.885192      0.444021
  C      -6.971084      0.885202     -0.928630
  C      -6.097927      1.348196     -1.897030
  C      -4.821674      1.834795     -1.523931
  C      -4.430182      1.841348     -0.204138
  C      -5.291844      1.364740      0.820080
  C      -4.304799     -0.277264      6.354217
  C      -5.376308     -0.016401      7.399997
  O      -5.921462      1.314653      7.252472
  C      -7.128408      1.397508      6.645550
  O      -7.745012      0.437794      6.222128
  C      -7.627540      2.823112      6.601359
  N      -7.041121      3.680980      7.424867
  C      -7.491800      4.959695      7.425584
  N      -8.428654      5.469881      6.664003
  C      -9.036150      4.607368      5.795745
  C     -10.039480      5.115621      4.927552
  C     -10.691708      4.271602      4.051903
  C     -10.367588      2.891920      4.020080
  C      -9.389707      2.368215      4.843785
  C      -8.689582      3.211794      5.742895
  H      -3.256062      3.974444      8.614970
  H      -4.235710      3.114353      7.423313
  H      -3.080920      5.899519      6.804762
  H      -4.661354      5.619602      7.634583
  H      -7.976656      3.896744      2.911154
  H      -5.963810      4.920036     -1.056394
  H      -3.734569      5.839650     -1.741097
  H      -2.061898      6.441969      0.001284
  H      -2.581580      6.176664      2.405893
  H      -2.379177     -0.355233      3.347276
  H      -0.696642     -0.545860      2.857178
  H      -1.975900      0.463780      1.080094
  H      -0.763297      1.671034      1.671834
  H      -7.817884      0.094897      3.377784
  H      -7.968044      0.515583     -1.174652
  H      -6.394876      1.346146     -2.951813
  H      -4.142310      2.219872     -2.291413
  H      -3.458639      2.253994      0.055620
  H      -4.702423      0.006906      5.375252
  H      -4.102892     -1.358744      6.334054
  H      -6.184416     -0.748337      7.302290
  H      -4.969134     -0.050155      8.415738
  H      -7.013157      5.640024      8.133198
  H     -10.270155      6.181271      4.982680
  H     -11.464032      4.663612      3.380829
  H     -10.893806      2.234855      3.326338
  H      -9.151824      1.309011      4.812627
  N      -1.240206      3.898564      4.103676
  H      -1.564763      4.821932      4.408053
  H      -1.588433      3.743647      3.154180
  H      -0.225895      3.919789      4.058574
99
Coordinates from ORCA-job orca E -6652.854533959942
  N      -2.187279      3.345175      6.920072
  Mo     -2.248389      1.890494      5.550838
  N      -3.050332      0.443183      6.602382
  C      -2.219361     -0.238560      7.613043
  C      -1.115631      0.692395      8.108933
  N      -0.489947      1.381885      6.937358
  C       0.130820      2.692826      7.287059
  C      -0.962201      3.693453      7.642566
  C       0.479490      0.499799      6.221682
  C       0.417960      0.818342      4.727642
  N      -0.992534      0.901204      4.362870
  H      -0.608926      4.723813      7.419087
  H      -1.166817      3.666266      8.736092
  H       0.679272      3.028695      6.402356
  H       0.850885      2.575090      8.102192
  H       0.925450      0.026317      4.153631
  H       0.955194      1.762146      4.509987
  H       0.163438     -0.540180      6.380130
  H       1.491961      0.629569      6.641597
  H      -2.829145     -0.554920      8.477591
  H      -1.796408     -1.163559      7.171399
  H      -1.549006      1.469151      8.753103
  H      -0.352860      0.143926      8.686806
  C      -3.416572      3.845155      7.539281
  C      -3.899678      5.164449      6.944932
  O      -4.584735      4.883539      5.706805
  C      -4.153024      5.486171      4.590247
  O      -3.168606      6.220108      4.531416
  C      -5.036224      5.139617      3.412427
  N      -6.225542      4.636053      3.711624
  C      -7.051776      4.336429      2.677043
  N      -6.804915      4.480768      1.385848
  C      -5.585212      4.987037      1.055777
  C      -5.276225      5.150076     -0.319553
  C      -4.046470      5.646854     -0.696947
  C      -3.083936      5.997789      0.282280
  C      -3.353524      5.856350      1.628101
  C      -4.613809      5.348347      2.056017
  C      -1.430246      0.224413      3.139645
  C      -1.662905      1.141519      1.936261
  O      -2.677255      2.175995      2.135648
  C      -3.774107      1.803191      2.853267
  O      -3.690222      1.847880      4.144475
  C      -5.004010      1.377584      2.225073
  N      -5.956241      0.927557      3.091469
  C      -7.118404      0.479770      2.581709
  N      -7.472696      0.448408      1.313788
  C      -6.546976      0.905632      0.409050
  C      -6.898074      0.885924     -0.964174
  C      -6.013307      1.315397     -1.930679
  C      -4.748115      1.795478     -1.547166
  C      -4.369357      1.843801     -0.204343
  C      -5.249337      1.391850      0.804965
  C      -4.308201     -0.266872      6.329944
  C      -5.380357     -0.025529      7.384633
  O      -5.922134      1.310772      7.258426
  C      -7.140565      1.404189      6.660886
  O      -7.762240      0.451286      6.221269
  C      -7.635060      2.831493      6.633117
  N      -7.038272      3.681627      7.454102
  C      -7.480169      4.965127      7.449726
  N      -8.416882      5.488579      6.684476
  C      -9.038478      4.632687      5.828882
  C     -10.046905      5.151253      4.974687
  C     -10.710552      4.313234      4.102942
  C     -10.394160      2.929439      4.063467
  C      -9.414118      2.394432      4.882866
  C      -8.701112      3.232116      5.776841
  H      -3.252042      3.988722      8.620593
  H      -4.232301      3.110158      7.435512
  H      -3.082037      5.868109      6.764765
  H      -4.646150      5.624937      7.603206
  H      -8.018029      3.921649      2.946384
  H      -6.034494      4.861327     -1.052186
  H      -3.804919      5.765598     -1.761631
  H      -2.115424      6.396258     -0.036598
  H      -2.618346      6.156522      2.372044
  H      -2.358409     -0.334753      3.336128
  H      -0.681225     -0.530962      2.827613
  H      -1.972757      0.536087      1.076075
  H      -0.765731      1.693524      1.679683
  H      -7.849167      0.101758      3.311001
  H      -7.887013      0.514766     -1.224040
  H      -6.290277      1.292686     -2.990155
  H      -4.061785      2.146848     -2.314884
  H      -3.408915      2.244093      0.061731
  H      -4.704380      0.046369      5.348963
  H      -4.112602     -1.357270      6.283211
  H      -6.188870     -0.759072      7.270698
  H      -4.975546     -0.078683      8.403707
  H      -6.996147      5.639790      8.160658
  H     -10.271047      6.219977      5.033358
  H     -11.485378      4.713607      3.437408
  H     -10.929055      2.276815      3.369741
  H      -9.184677      1.329746      4.852664
  N      -1.196391      3.897574      4.115668
  H      -1.510337      4.825484      4.414808
  H      -1.545589      3.740973      3.170846
  H      -0.174001      3.907754      4.073689
99
Coordinates from ORCA-job orca E -6652.854987646329
  N      -2.199689      3.348132      6.912639
  Mo     -2.265004      1.887137      5.550571
  N      -3.050527      0.446122      6.616795
  C      -2.217123     -0.225737      7.629212
  C      -1.100406      0.701796      8.103504
  N      -0.491938      1.381763      6.916993
  C       0.134269      2.694955      7.253049
  C      -0.962170      3.710318      7.602574
  C       0.469464      0.495209      6.194089
  C       0.393833      0.811949      4.701020
  N      -1.017289      0.899949      4.352066
  H      -0.615517      4.721659      7.340334
  H      -1.146604      3.719326      8.690341
  H       0.684460      3.013465      6.351880
  H       0.866905      2.581346      8.078478
  H       0.891815      0.014096      4.122608
  H       0.929729      1.753072      4.479370
  H       0.153719     -0.545708      6.354379
  H       1.484214      0.622595      6.606445
  H      -2.821700     -0.525329      8.500597
  H      -1.803126     -1.160103      7.198453
  H      -1.520248      1.484661      8.754120
  H      -0.327197      0.150429      8.671595
  C      -3.422194      3.840925      7.548442
  C      -3.894445      5.168658      6.972118
  O      -4.576246      4.910563      5.722034
  C      -4.132158      5.526450      4.605488
  O      -3.157163      6.251887      4.556015
  C      -4.998718      5.177857      3.417606
  N      -6.186114      4.653781      3.701506
  C      -6.994739      4.340158      2.659639
  N      -6.731499      4.498631      1.374544
  C      -5.511330      5.019096      1.056965
  C      -5.186897      5.187507     -0.309384
  C      -3.963862      5.702689     -0.665307
  C      -3.024481      6.069669      0.329349
  C      -3.306566      5.920072      1.663790
  C      -4.561640      5.395580      2.070728
  C      -1.459362      0.229420      3.130008
  C      -1.699774      1.156281      1.931716
  O      -2.726626      2.186278      2.149170
  C      -3.817860      1.802549      2.872911
  O      -3.725607      1.849189      4.161553
  C      -5.041747      1.365582      2.254439
  N      -5.967933      0.910196      3.131519
  C      -7.121498      0.435094      2.626229
  N      -7.488815      0.376632      1.353135
  C      -6.586538      0.846978      0.438921
  C      -6.940635      0.816635     -0.923738
  C      -6.072279      1.275239     -1.887350
  C      -4.820739      1.794541     -1.512439
  C      -4.437173      1.851983     -0.176731
  C      -5.300438      1.370931      0.831183
  C      -4.301105     -0.273554      6.342947
  C      -5.386584     -0.037512      7.388061
  O      -5.934249      1.298738      7.257418
  C      -7.151923      1.390171      6.671186
  O      -7.774901      0.436095      6.253340
  C      -7.643903      2.818442      6.621334
  N      -7.057536      3.670624      7.454576
  C      -7.495194      4.955976      7.422153
  N      -8.417822      5.477128      6.626164
  C      -9.032113      4.617018      5.768846
  C     -10.032597      5.127505      4.916256
  C     -10.690135      4.282022      4.051739
  C     -10.374406      2.899718      4.008505
  C      -9.403139      2.372420      4.828948
  C      -8.698043      3.216532      5.730317
  H      -3.250098      3.966185      8.636537
  H      -4.244911      3.113481      7.433626
  H      -3.072500      5.868111      6.807127
  H      -4.641139      5.619587      7.634043
  H      -7.976118      3.920544      2.931424
  H      -5.928427      4.882900     -1.053339
  H      -3.710145      5.826852     -1.722785
  H      -2.061292      6.479499      0.028052
  H      -2.588809      6.228432      2.418662
  H      -2.382366     -0.334255      3.332369
  H      -0.707237     -0.522231      2.806668
  H      -1.999360      0.548287      1.064222
  H      -0.804038      1.726686      1.671626
  H      -7.833217      0.053210      3.373410
  H      -7.918832      0.416336     -1.177193
  H      -6.347967      1.251409     -2.931629
  H      -4.142937      2.174712     -2.273711
  H      -3.478178      2.291443      0.095522
  H      -4.693643      0.035679      5.357583
  H      -4.096433     -1.364973      6.299706
  H      -6.190975     -0.772939      7.261805
  H      -4.994789     -0.092208      8.412929
  H      -7.024980      5.630914      8.151980
  H     -10.257841      6.194907      4.976548
  H     -11.459990      4.674994      3.396035
  H     -10.904648      2.240967      3.317019
  H      -9.178193      1.307080      4.808870
  N      -1.201993      3.894215      4.107778
  H      -1.503559      4.820453      4.417742
  H      -1.574688      3.744692      3.167194
  H      -0.179952      3.895424      4.042845
99
Coordinates from ORCA-job orca E -6652.854920761304
  N      -2.206331      3.344531      6.918263
  Mo     -2.278379      1.888076      5.547982
  N      -3.050535      0.438168      6.615467
  C      -2.208495     -0.233399      7.618136
  C      -1.093848      0.696521      8.086984
  N      -0.492364      1.383131      6.900149
  C       0.129829      2.696583      7.240441
  C      -0.967765      3.702613      7.610793
  C       0.465561      0.503445      6.166472
  C       0.380969      0.828699      4.676431
  N      -1.032218      0.912630      4.334519
  H      -0.621369      4.722448      7.360267
  H      -1.152039      3.697440      8.701315
  H       0.671024      3.026935      6.341247
  H       0.865911      2.577127      8.056868
  H       0.880038      0.038974      4.091649
  H       0.913172      1.772412      4.457438
  H       0.151185     -0.537881      6.321670
  H       1.481660      0.627925      6.572922
  H      -2.805027     -0.539705      8.493505
  H      -1.793198     -1.162944      7.181518
  H      -1.513371      1.473773      8.739999
  H      -0.317744      0.148405      8.648427
  C      -3.434251      3.834631      7.553718
  C      -3.906323      5.169083      6.992778
  O      -4.576646      4.921068      5.730405
  C      -4.127115      5.549109      4.621246
  O      -3.164886      6.292569      4.585414
  C      -4.964775      5.183205      3.418911
  N      -6.138796      4.633336      3.683878
  C      -6.929174      4.311865      2.635833
  N      -6.659961      4.483987      1.363066
  C      -5.449304      5.032872      1.062890
  C      -5.110316      5.216533     -0.297916
  C      -3.890305      5.757731     -0.642944
  C      -2.969279      6.137628      0.359896
  C      -3.270703      5.978536      1.694626
  C      -4.519923      5.422925      2.085406
  C      -1.481061      0.244161      3.121229
  C      -1.726005      1.160729      1.927197
  O      -2.759744      2.179908      2.152530
  C      -3.840587      1.790548      2.886816
  O      -3.735278      1.837448      4.172537
  C      -5.061833      1.338180      2.286803
  N      -5.955080      0.867590      3.179583
  C      -7.102221      0.387322      2.709539
  N      -7.498576      0.328200      1.452947
  C      -6.629361      0.815177      0.523249
  C      -7.025499      0.773955     -0.837009
  C      -6.188479      1.263785     -1.818724
  C      -4.930903      1.822117     -1.466930
  C      -4.518882      1.868395     -0.150576
  C      -5.348239      1.355302      0.877905
  C      -4.303742     -0.280565      6.353682
  C      -5.383971     -0.032126      7.402290
  O      -5.927745      1.305570      7.254611
  C      -7.157063      1.385190      6.687047
  O      -7.801541      0.419875      6.311934
  C      -7.640089      2.813702      6.605558
  N      -7.070693      3.667570      7.444905
  C      -7.507373      4.947779      7.396107
  N      -8.412020      5.460745      6.582769
  C      -9.006031      4.600056      5.712696
  C      -9.983442      5.103799      4.824052
  C     -10.619148      4.258680      3.939379
  C     -10.302750      2.884806      3.909287
  C      -9.352693      2.364223      4.761332
  C      -8.671649      3.207243      5.685875
  H      -3.268199      3.948354      8.645578
  H      -4.258199      3.108464      7.427116
  H      -3.081506      5.879266      6.844614
  H      -4.664830      5.606023      7.658575
  H      -7.902061      3.871485      2.894025
  H      -5.838954      4.905420     -1.046187
  H      -3.628386      5.899301     -1.692264
  H      -2.008619      6.569565      0.069748
  H      -2.569302      6.299577      2.456799
  H      -2.403997     -0.322944      3.328347
  H      -0.730885     -0.497848      2.796643
  H      -2.025629      0.544331      1.064152
  H      -0.827901      1.740205      1.662438
  H      -7.785652     -0.009296      3.465800
  H      -8.013303      0.338714     -1.074547
  H      -6.500988      1.223797     -2.871257
  H      -4.279917      2.229275     -2.246243
  H      -3.563361      2.327049      0.093612
  H      -4.700819      0.016887      5.369035
  H      -4.099252     -1.370653      6.319974
  H      -6.191683     -0.767294      7.287838
  H      -4.987907     -0.074497      8.427858
  H      -7.049667      5.624730      8.125673
  H     -10.208955      6.165787      4.872253
  H     -11.371470      4.646543      3.255615
  H     -10.814187      2.226974      3.199483
  H      -9.126680      1.305637      4.747102
  N      -1.231520      3.901412      4.101246
  H      -1.505142      4.833857      4.426222
  H      -1.632178      3.762939      3.164039
  H      -0.210173      3.880465      4.008049
99
Coordinates from ORCA-job orca E -6652.854370354185
  N      -2.209032      3.351788      6.913445
  Mo     -2.282705      1.894857      5.544434
  N      -3.046747      0.434717      6.609010
  C      -2.193284     -0.228461      7.607860
  C      -1.091231      0.710955      8.076639
  N      -0.483674      1.397377      6.898956
  C       0.129786      2.714644      7.242793
  C      -0.982793      3.706647      7.613521
  C       0.479082      0.520545      6.177827
  C       0.389311      0.835508      4.690325
  N      -1.033507      0.914923      4.341635
  H      -0.654567      4.733906      7.376642
  H      -1.175741      3.686622      8.697672
  H       0.675643      3.048637      6.351056
  H       0.862538      2.601895      8.062779
  H       0.892542      0.044607      4.117063
  H       0.925114      1.782644      4.463124
  H       0.171035     -0.519241      6.341571
  H       1.496177      0.652017      6.582259
  H      -2.786464     -0.545894      8.481392
  H      -1.764875     -1.148594      7.169260
  H      -1.521814      1.482673      8.715282
  H      -0.316765      0.178110      8.643220
  C      -3.434141      3.835568      7.542839
  C      -3.918572      5.169227      6.990586
  O      -4.579041      4.927904      5.725812
  C      -4.124216      5.538528      4.636150
  O      -3.152543      6.288663      4.614195
  C      -4.962187      5.175428      3.430254
  N      -6.137438      4.632529      3.687456
  C      -6.926061      4.320199      2.632690
  N      -6.649396      4.488989      1.357966
  C      -5.439607      5.035883      1.071178
  C      -5.089675      5.214390     -0.292853
  C      -3.863950      5.745352     -0.630495
  C      -2.945902      6.119099      0.381422
  C      -3.262382      5.971529      1.725049
  C      -4.514177      5.419776      2.103170
  C      -1.501755      0.236318      3.128177
  C      -1.749147      1.143355      1.918874
  O      -2.767692      2.164906      2.140625
  C      -3.843861      1.779205      2.879569
  O      -3.742244      1.823176      4.167053
  C      -5.071091      1.321955      2.279410
  N      -5.967681      0.859588      3.171996
  C      -7.130407      0.372204      2.684974
  N      -7.537218      0.315012      1.410999
  C      -6.656357      0.806732      0.497802
  C      -7.054759      0.791792     -0.865374
  C      -6.208454      1.287534     -1.834740
  C      -4.948507      1.808632     -1.484299
  C      -4.539671      1.824802     -0.175367
  C      -5.366311      1.328942      0.860393
  C      -4.301257     -0.289726      6.364326
  C      -5.375546     -0.024652      7.412839
  O      -5.916468      1.308894      7.252417
  C      -7.136081      1.383127      6.675769
  O      -7.772740      0.415639      6.301668
  C      -7.619407      2.811163      6.593926
  N      -7.054459      3.666960      7.431799
  C      -7.499148      4.944642      7.409642
  N      -8.408127      5.453552      6.620875
  C      -8.991185      4.594380      5.735032
  C      -9.960341      5.102600      4.827583
  C     -10.585332      4.260904      3.931798
  C     -10.265823      2.886232      3.912221
  C      -9.319941      2.363053      4.768769
  C      -8.649072      3.202876      5.693572
  H      -3.268392      3.942754      8.627716
  H      -4.247309      3.107953      7.417242
  H      -3.104489      5.889858      6.853816
  H      -4.683602      5.590360      7.653557
  H      -7.886753      3.871262      2.871961
  H      -5.819130      4.915354     -1.042717
  H      -3.600517      5.892280     -1.672865
  H      -1.980852      6.547593      0.099248
  H      -2.564088      6.291408      2.498583
  H      -2.435611     -0.326071      3.330291
  H      -0.760102     -0.513348      2.824347
  H      -2.061044      0.521333      1.057792
  H      -0.852960      1.717699      1.647041
  H      -7.823268     -0.030835      3.424264
  H      -8.038272      0.394428     -1.096512
  H      -6.521003      1.272723     -2.885987
  H      -4.294953      2.212437     -2.262426
  H      -3.581889      2.261766      0.069276
  H      -4.701271     -0.016169      5.381282
  H      -4.096098     -1.371475      6.351731
  H      -6.187324     -0.760541      7.317204
  H      -4.970358     -0.050130      8.435096
  H      -7.040062      5.623116      8.128418
  H     -10.188195      6.165237      4.872711
  H     -11.331409      4.652553      3.232412
  H     -10.769316      2.231501      3.201743
  H      -9.088827      1.306205      4.750499
  N      -1.276487      3.918312      4.102900
  H      -1.571358      4.845164      4.422841
  H      -1.660754      3.778865      3.163317
  H      -0.261074      3.924541      4.019333
99
Coordinates from ORCA-job orca E -6652.854765892843
  N      -2.201585      3.348720      6.912770
  Mo     -2.266291      1.891614      5.542369
  N      -3.054165      0.438233      6.599828
  C      -2.211870     -0.236347      7.604627
  C      -1.112454      0.699357      8.091600
  N      -0.492963      1.388983      6.918308
  C       0.122280      2.702664      7.265244
  C      -0.977739      3.697061      7.627479
  C       0.476748      0.511542      6.200540
  C       0.404862      0.828823      4.709968
  N      -1.008691      0.907262      4.348233
  H      -0.630995      4.728808      7.403715
  H      -1.183330      3.668711      8.717803
  H       0.667477      3.041079      6.380983
  H       0.843137      2.587069      8.078290
  H       0.913510      0.040306      4.135888
  H       0.938230      1.774035      4.488620
  H       0.167581     -0.527627      6.361105
  H       1.489148      0.645035      6.613846
  H      -2.815675     -0.557759      8.471503
  H      -1.783537     -1.156795      7.160437
  H      -1.547833      1.472777      8.731804
  H      -0.346305      0.159611      8.665893
  C      -3.428918      3.846641      7.535620
  C      -3.905272      5.181625      6.968837
  O      -4.576124      4.923194      5.711093
  C      -4.129255      5.516311      4.607918
  O      -3.146962      6.253744      4.568104
  C      -4.995695      5.157857      3.415270
  N      -6.185577      4.646486      3.706184
  C      -6.999433      4.336164      2.662653
  N      -6.735356      4.476696      1.367605
  C      -5.517545      4.996645      1.051739
  C      -5.199256      5.167894     -0.316471
  C      -3.977517      5.683600     -0.675842
  C      -3.027253      6.040085      0.311032
  C      -3.306861      5.893573      1.652453
  C      -4.561361      5.370514      2.063645
  C      -1.453803      0.223504      3.139181
  C      -1.683183      1.124033      1.931181
  O      -2.710549      2.147088      2.131644
  C      -3.798758      1.781841      2.861095
  O      -3.703503      1.829357      4.151664
  C      -5.030043      1.346049      2.247594
  N      -5.956298      0.900554      3.128661
  C      -7.112499      0.450635      2.638324
  N      -7.491202      0.404290      1.365137
  C      -6.590378      0.862183      0.450189
  C      -6.964460      0.845505     -0.920581
  C      -6.097973      1.301318     -1.888926
  C      -4.831340      1.802695     -1.514494
  C      -4.436192      1.837874     -0.183779
  C      -5.296516      1.359108      0.830988
  C      -4.309174     -0.279636      6.339538
  C      -5.382498     -0.030539      7.390760
  O      -5.924670      1.303503      7.253176
  C      -7.134131      1.391425      6.653421
  O      -7.750163      0.436466      6.226274
  C      -7.627866      2.819833      6.611054
  N      -7.051205      3.670753      7.454973
  C      -7.498413      4.952217      7.456925
  N      -8.423175      5.472099      6.677307
  C      -9.021918      4.616360      5.792175
  C     -10.014100      5.133695      4.912626
  C     -10.660522      4.294124      4.036402
  C     -10.340252      2.911227      4.008798
  C      -9.372145      2.379260      4.836559
  C      -8.678688      3.217685      5.739786
  H      -3.267945      3.967114      8.620843
  H      -4.246895      3.116674      7.416551
  H      -3.081956      5.898961      6.815716
  H      -4.664668      5.620896      7.635465
  H      -7.964912      3.908708      2.922456
  H      -5.951723      4.880632     -1.048562
  H      -3.738009      5.822983     -1.722620
  H      -2.065413      6.455190      0.008288
  H      -2.583505      6.200192      2.406071
  H      -2.387015     -0.337896      3.337388
  H      -0.706364     -0.522439      2.839389
  H      -1.984806      0.496792      1.069074
  H      -0.775680      1.698039      1.669654
  H      -7.824908      0.074100      3.372616
  H      -7.945954      0.475545     -1.161201
  H      -6.386376      1.292630     -2.935953
  H      -4.153866      2.188968     -2.277186
  H      -3.461361      2.276463      0.090031
  H      -4.706874      0.013080      5.359424
  H      -4.107026     -1.363331      6.308738
  H      -6.191828     -0.765793      7.283291
  H      -4.977192     -0.073483      8.410894
  H      -7.027822      5.627036      8.180313
  H     -10.242719      6.201723      4.968061
  H     -11.425660      4.692158      3.363879
  H     -10.862518      2.257426      3.319014
  H      -9.139591      1.316309      4.812247
  N      -1.238299      3.907342      4.101785
  H      -1.555477      4.835326      4.405430
  H      -1.591611      3.751435      3.155418
  H      -0.221679      3.922392      4.054770
99
Coordinates from ORCA-job orca E -6652.854551566769
  N      -2.181850      3.343703      6.927419
  Mo     -2.253848      1.882594      5.558418
  N      -3.045861      0.442441      6.624550
  C      -2.206915     -0.238499      7.628236
  C      -1.090640      0.684727      8.109723
  N      -0.478523      1.373129      6.927307
  C       0.142322      2.686209      7.271591
  C      -0.953370      3.691540      7.630777
  C       0.485149      0.493564      6.193889
  C       0.403632      0.808788      4.700346
  N      -1.004365      0.887238      4.357683
  H      -0.602978      4.711150      7.394192
  H      -1.152746      3.677432      8.719653
  H       0.690704      3.018521      6.374080
  H       0.869295      2.567379      8.094090
  H       0.904974      0.015959      4.115312
  H       0.929429      1.749976      4.475933
  H       0.180687     -0.546394      6.354856
  H       1.497011      0.628685      6.597842
  H      -2.809254     -0.546691      8.500371
  H      -1.794160     -1.170043      7.184395
  H      -1.511274      1.464974      8.765094
  H      -0.321347      0.128567      8.676045
  C      -3.406203      3.849927      7.556063
  C      -3.876599      5.175687      6.971485
  O      -4.564272      4.898423      5.727381
  C      -4.128012      5.509774      4.601918
  O      -3.153367      6.244348      4.542337
  C      -5.000984      5.156871      3.414003
  N      -6.189414      4.633417      3.704186
  C      -7.012801      4.335995      2.670032
  N      -6.761485      4.511694      1.382879
  C      -5.540507      5.031744      1.061078
  C      -5.226618      5.215642     -0.311971
  C      -3.999992      5.716879     -0.681601
  C      -3.045118      6.050024      0.303447
  C      -3.315847      5.886912      1.642981
  C      -4.573662      5.379479      2.063507
  C      -1.438608      0.211100      3.139645
  C      -1.682259      1.128444      1.941322
  O      -2.703543      2.170587      2.153130
  C      -3.798099      1.801992      2.879561
  O      -3.706177      1.841720      4.168424
  C      -5.028730      1.371744      2.259419
  N      -5.958407      0.914928      3.140038
  C      -7.115638      0.458457      2.640306
  N      -7.488115      0.419014      1.365977
  C      -6.584101      0.885610      0.447715
  C      -6.946775      0.872766     -0.917735
  C      -6.074857      1.328769     -1.885859
  C      -4.813225      1.826715     -1.512807
  C      -4.425190      1.866628     -0.178194
  C      -5.289398      1.391746      0.837274
  C      -4.302092     -0.264880      6.358220
  C      -5.377310     -0.008819      7.403143
  O      -5.928278      1.322675      7.253800
  C      -7.148364      1.399560      6.656373
  O      -7.775124      0.432326      6.245152
  C      -7.646004      2.826965      6.596464
  N      -7.054548      3.690945      7.410564
  C      -7.499751      4.973833      7.374625
  N      -8.434552      5.483145      6.584265
  C      -9.052569      4.611481      5.742653
  C     -10.065574      5.109639      4.892251
  C     -10.727881      4.254604      4.039596
  C     -10.404472      2.873565      4.009558
  C      -9.420821      2.357700      4.831482
  C      -8.711550      3.211696      5.719009
  H      -3.239141      3.989322      8.641009
  H      -4.230353      3.118852      7.450110
  H      -3.048674      5.880457      6.795385
  H      -4.624199      5.636184      7.638169
  H      -7.981142      3.900206      2.935466
  H      -5.979217      4.935083     -1.048377
  H      -3.749845      5.844282     -1.751736
  H      -2.079745      6.446628     -0.010519
  H      -2.583849      6.168522      2.384628
  H      -2.360680     -0.351998      3.346619
  H      -0.683866     -0.540059      2.813521
  H      -1.994798      0.517322      1.086592
  H      -0.782792      1.685460      1.672857
  H      -7.827932      0.077562      3.381292
  H      -7.943642      0.474344     -1.178328
  H      -6.356926      1.316125     -2.933176
  H      -4.136939      2.198951     -2.280738
  H      -3.468228      2.279199      0.080902
  H      -4.697433      0.037080      5.377097
  H      -4.104449     -1.353903      6.325375
  H      -6.180929     -0.743111      7.300357
  H      -4.974517     -0.044914      8.420377
  H      -7.020310      5.660798      8.078789
  H     -10.295386      6.176847      4.940362
  H     -11.507476      4.638374      3.384331
  H     -10.937921      2.207515      3.325469
  H      -9.186819      1.294673      4.815299
  N      -1.199799      3.884239      4.118326
  H      -1.514867      4.808497      4.424781
  H      -1.553321      3.731303      3.169422
  H      -0.182101      3.893616      4.071061
99
Coordinates from ORCA-job orca E -6652.855510433027
  N      -2.202345      3.345955      6.911731
  Mo     -2.267726      1.889639      5.546414
  N      -3.053033      0.442019      6.607293
  C      -2.219922     -0.231887      7.617776
  C      -1.108913      0.697771      8.096316
  N      -0.496072      1.380742      6.915819
  C       0.128331      2.692764      7.260215
  C      -0.966397      3.702704      7.614282
  C       0.464859      0.494890      6.196082
  C       0.394772      0.816862      4.705043
  N      -1.017921      0.907101      4.347613
  H      -0.617118      4.722190      7.363947
  H      -1.154141      3.700863      8.704281
  H       0.679905      3.017931      6.370507
  H       0.853940      2.575408      8.082129
  H       0.895777      0.021836      4.129652
  H       0.935738      1.759849      4.488176
  H       0.143790     -0.545564      6.352245
  H       1.479695      0.616145      6.612863
  H      -2.824257     -0.537295      8.487675
  H      -1.802208     -1.162548      7.185128
  H      -1.533711      1.476925      8.742398
  H      -0.338746      0.150600      8.666395
  C      -3.429016      3.838118      7.539664
  C      -3.908669      5.161722      6.959668
  O      -4.589497      4.900501      5.714927
  C      -4.144724      5.523094      4.601800
  O      -3.171706      6.265257      4.557931
  C      -5.001850      5.166963      3.408179
  N      -6.188030      4.634008      3.679402
  C      -6.991912      4.320044      2.633986
  N      -6.725513      4.481630      1.355358
  C      -5.505477      5.012174      1.048253
  C      -5.172011      5.182052     -0.318889
  C      -3.945508      5.704949     -0.669110
  C      -3.014061      6.081265      0.335612
  C      -3.307049      5.933047      1.673576
  C      -4.561773      5.394607      2.069416
  C      -1.464989      0.241106      3.123595
  C      -1.701172      1.167744      1.925989
  O      -2.730778      2.188809      2.143570
  C      -3.815699      1.801718      2.868513
  O      -3.722425      1.850572      4.156651
  C      -5.035074      1.358818      2.255369
  N      -5.951546      0.903224      3.139754
  C      -7.103560      0.425898      2.646469
  N      -7.478282      0.365209      1.378820
  C      -6.584892      0.837139      0.458169
  C      -6.952263      0.801989     -0.905966
  C      -6.092971      1.268313     -1.879010
  C      -4.836984      1.803104     -1.509650
  C      -4.448962      1.852259     -0.184712
  C      -5.302258      1.362306      0.833609
  C      -4.306683     -0.273873      6.338596
  C      -5.382082     -0.033573      7.391977
  O      -5.925493      1.304335      7.264107
  C      -7.148962      1.396247      6.685613
  O      -7.781899      0.442279      6.276110
  C      -7.636942      2.823468      6.636001
  N      -7.051397      3.672824      7.467171
  C      -7.488194      4.955283      7.436906
  N      -8.409652      5.475023      6.646768
  C      -9.020947      4.618364      5.786575
  C     -10.016861      5.128977      4.925412
  C     -10.668393      4.288631      4.045931
  C     -10.351322      2.911515      3.999748
  C      -9.384603      2.383773      4.830354
  C      -8.686184      3.222704      5.744263
  H      -3.260390      3.965710      8.625172
  H      -4.248004      3.109252      7.424866
  H      -3.093714      5.859378      6.791186
  H      -4.652942      5.612706      7.616033
  H      -7.967690      3.890243      2.892743
  H      -5.909532      4.874189     -1.068064
  H      -3.686338      5.832437     -1.725056
  H      -2.050588      6.501108      0.043208
  H      -2.595451      6.250968      2.436583
  H      -2.391326     -0.323040      3.319639
  H      -0.715961     -0.508842      2.803767
  H      -1.994740      0.557090      1.053795
  H      -0.803988      1.746681      1.671228
  H      -7.806788      0.041805      3.396820
  H      -7.934519      0.391394     -1.153463
  H      -6.384607      1.231205     -2.935715
  H      -4.167341      2.191313     -2.279235
  H      -3.491103      2.299141      0.076730
  H      -4.705091      0.034818      5.356772
  H      -4.104485     -1.365070      6.294512
  H      -6.190242     -0.765679      7.273540
  H      -4.981580     -0.087612      8.413540
  H      -7.017604      5.627967      8.164149
  H     -10.242326      6.192721      4.986001
  H     -11.434000      4.682469      3.378385
  H     -10.875499      2.257371      3.293538
  H      -9.156892      1.323396      4.802929
  N      -1.213996      3.902667      4.106102
  H      -1.504603      4.831591      4.417939
  H      -1.594128      3.754246      3.168668
  H      -0.188675      3.893732      4.032863
99
Coordinates from ORCA-job orca E -6652.854825343590
  N      -2.208977      3.351835      6.910140
  Mo     -2.278565      1.893939      5.541659
  N      -3.048418      0.440862      6.608622
  C      -2.203488     -0.219170      7.615060
  C      -1.097857      0.717681      8.082648
  N      -0.488651      1.397943      6.900413
  C       0.130660      2.712992      7.235915
  C      -0.977323      3.712226      7.602976
  C       0.472797      0.516850      6.181273
  C       0.390682      0.832310      4.691278
  N      -1.028882      0.916378      4.339187
  H      -0.640021      4.733344      7.355742
  H      -1.167725      3.702740      8.688664
  H       0.674672      3.041034      6.334736
  H       0.869209      2.600793      8.055495
  H       0.891345      0.039265      4.117770
  H       0.929932      1.775415      4.464900
  H       0.158070     -0.522090      6.344519
  H       1.490322      0.645254      6.590195
  H      -2.802620     -0.528031      8.487317
  H      -1.777987     -1.142852      7.183992
  H      -1.525314      1.493133      8.721037
  H      -0.325098      0.182455      8.651204
  C      -3.434933      3.835255      7.548524
  C      -3.915714      5.173746      7.002305
  O      -4.573706      4.929870      5.727205
  C      -4.119467      5.543808      4.630489
  O      -3.149293      6.277742      4.600818
  C      -4.962301      5.184520      3.431080
  N      -6.138836      4.652808      3.706930
  C      -6.929606      4.336851      2.655850
  N      -6.656071      4.497539      1.372156
  C      -5.445903      5.035032      1.068065
  C      -5.109470      5.219450     -0.291593
  C      -3.887968      5.749246     -0.637022
  C      -2.959136      6.113247      0.359480
  C      -3.263325      5.960437      1.699428
  C      -4.515571      5.416933      2.091486
  C      -1.488701      0.236800      3.132924
  C      -1.729612      1.138721      1.927389
  O      -2.750544      2.158667      2.140524
  C      -3.832934      1.778029      2.876867
  O      -3.728989      1.823858      4.164138
  C      -5.065026      1.321724      2.276829
  N      -5.963961      0.850687      3.166009
  C      -7.125721      0.370456      2.685252
  N      -7.528234      0.325723      1.423690
  C      -6.648807      0.816759      0.506104
  C      -7.048842      0.791454     -0.857898
  C      -6.205783      1.276901     -1.831918
  C      -4.943916      1.803502     -1.480549
  C      -4.528036      1.835619     -0.163184
  C      -5.357650      1.338489      0.866086
  C      -4.298907     -0.288487      6.351920
  C      -5.383376     -0.040360      7.398004
  O      -5.925274      1.295747      7.249692
  C      -7.144865      1.375089      6.670365
  O      -7.780672      0.409403      6.287512
  C      -7.628868      2.804286      6.593340
  N      -7.065273      3.656065      7.439055
  C      -7.507652      4.935608      7.414021
  N      -8.413221      5.450105      6.617816
  C      -8.996854      4.594369      5.729229
  C      -9.964852      5.107201      4.823927
  C     -10.591983      4.267473      3.930813
  C     -10.275605      2.890382      3.909774
  C      -9.330768      2.362923      4.762601
  C      -8.657109      3.200801      5.686407
  H      -3.267566      3.940105      8.638831
  H      -4.252989      3.105652      7.421032
  H      -3.091625      5.905125      6.873882
  H      -4.693212      5.591531      7.673659
  H      -7.900052      3.905031      2.917105
  H      -5.846391      4.928029     -1.030125
  H      -3.638533      5.905675     -1.670891
  H      -1.997595      6.539934      0.070118
  H      -2.560947      6.276943      2.466791
  H      -2.420857     -0.322033      3.337546
  H      -0.745710     -0.509520      2.830838
  H      -2.037635      0.518917      1.068511
  H      -0.831472      1.707533      1.661492
  H      -7.818766     -0.034642      3.429162
  H      -8.027973      0.396834     -1.084646
  H      -6.517069      1.258511     -2.878790
  H      -4.289798      2.203014     -2.257208
  H      -3.565496      2.277172      0.085390
  H      -4.693221     -0.005392      5.364855
  H      -4.090255     -1.373014      6.329042
  H      -6.193229     -0.778452      7.284836
  H      -4.987466     -0.079686      8.425246
  H      -7.052840      5.610270      8.146454
  H     -10.190641      6.171387      4.870925
  H     -11.337617      4.662228      3.234729
  H     -10.781897      2.236792      3.204147
  H      -9.103840      1.302863      4.747747
  N      -1.249503      3.911325      4.093501
  H      -1.542905      4.839317      4.412521
  H      -1.632032      3.771282      3.152523
  H      -0.232411      3.912352      4.013716
99
Coordinates from ORCA-job orca E -6652.855265457949
  N      -2.199521      3.350109      6.926766
  Mo     -2.276247      1.894114      5.553454
  N      -3.048909      0.434950      6.612807
  C      -2.192978     -0.248120      7.601634
  C      -1.086131      0.684369      8.082035
  N      -0.483031      1.384529      6.904564
  C       0.129715      2.700068      7.255914
  C      -0.972096      3.693453      7.634624
  C       0.481075      0.514724      6.165691
  C       0.386742      0.838119      4.676882
  N      -1.029685      0.912827      4.337256
  H      -0.634047      4.724912      7.413199
  H      -1.167281      3.659299      8.725110
  H       0.667340      3.042598      6.367900
  H       0.859172      2.581008      8.066739
  H       0.890860      0.052506      4.091351
  H       0.911575      1.786234      4.454068
  H       0.181367     -0.527863      6.324245
  H       1.496864      0.650893      6.564916
  H      -2.783519     -0.576603      8.474691
  H      -1.770289     -1.166907      7.144164
  H      -1.514051      1.454725      8.737261
  H      -0.309770      0.136989      8.643152
  C      -3.422861      3.845134      7.554739
  C      -3.893569      5.182827      6.993854
  O      -4.564449      4.939088      5.735202
  C      -4.114117      5.542558      4.635550
  O      -3.140604      6.288724      4.605986
  C      -4.962579      5.179345      3.433407
  N      -6.137342      4.635115      3.699928
  C      -6.936526      4.318481      2.652682
  N      -6.671757      4.480315      1.375450
  C      -5.465026      5.027531      1.078861
  C      -5.129897      5.196645     -0.290510
  C      -3.907606      5.726249     -0.643146
  C      -2.977484      6.106050      0.356771
  C      -3.274443      5.961325      1.699217
  C      -4.525469      5.415247      2.098078
  C      -1.482277      0.238422      3.122065
  C      -1.735485      1.151636      1.921480
  O      -2.766907      2.175368      2.147486
  C      -3.845582      1.788957      2.885905
  O      -3.740880      1.841672      4.175231
  C      -5.072683      1.330596      2.279960
  N      -5.979505      0.870301      3.168909
  C      -7.126858      0.398520      2.685495
  N      -7.517988      0.335516      1.407892
  C      -6.634937      0.814454      0.489072
  C      -7.019474      0.794303     -0.877316
  C      -6.165290      1.283867     -1.842247
  C      -4.908944      1.809375     -1.479618
  C      -4.508146      1.842010     -0.157670
  C      -5.348859      1.342830      0.865295
  C      -4.307428     -0.279267      6.359910
  C      -5.379939     -0.018253      7.410127
  O      -5.927819      1.313215      7.250152
  C      -7.141005      1.388085      6.659570
  O      -7.762377      0.423314      6.262513
  C      -7.629654      2.818162      6.582740
  N      -7.058502      3.681514      7.417662
  C      -7.501186      4.965366      7.388070
  N      -8.415041      5.475535      6.588028
  C      -9.008344      4.606755      5.713319
  C      -9.989785      5.112121      4.817097
  C     -10.630240      4.259346      3.949081
  C     -10.313768      2.875437      3.942997
  C      -9.355832      2.354871      4.787761
  C      -8.669817      3.206026      5.688205
  H      -3.259752      3.958231      8.641346
  H      -4.243270      3.120688      7.430781
  H      -3.071310      5.893448      6.844612
  H      -4.647134      5.618966      7.660347
  H      -7.893101      3.869629      2.897119
  H      -5.863706      4.885345     -1.038785
  H      -3.644928      5.850582     -1.704108
  H      -2.011068      6.528069      0.055951
  H      -2.562434      6.277887      2.455033
  H      -2.406701     -0.331319      3.329751
  H      -0.731635     -0.506176      2.799788
  H      -2.045317      0.530381      1.061831
  H      -0.837631      1.728917      1.647432
  H      -7.822018      0.007664      3.426870
  H      -8.006799      0.385807     -1.123313
  H      -6.460407      1.272959     -2.885252
  H      -4.246091      2.213439     -2.248485
  H      -3.549776      2.286836      0.099299
  H      -4.706580      0.009544      5.378844
  H      -4.108643     -1.364327      6.334882
  H      -6.187047     -0.758221      7.315561
  H      -4.973133     -0.042386      8.431080
  H      -7.035534      5.650716      8.102260
  H     -10.215706      6.181753      4.853779
  H     -11.387322      4.648001      3.265560
  H     -10.830646      2.211398      3.256579
  H      -9.127321      1.290415      4.782493
  N      -1.265021      3.912962      4.116478
  H      -1.569462      4.840944      4.435227
  H      -1.636113      3.769296      3.169809
  H      -0.251380      3.920809      4.053194
99
Coordinates from ORCA-job orca E -6652.855349535096
  N      -2.197198      3.342042      6.915107
  Mo     -2.262941      1.883703      5.546666
  N      -3.053228      0.439188      6.609718
  C      -2.217292     -0.234248      7.619253
  C      -1.107010      0.695033      8.100211
  N      -0.491033      1.379570      6.920626
  C       0.128675      2.692845      7.263368
  C      -0.969299      3.695486      7.619559
  C       0.474148      0.496649      6.198908
  C       0.399840      0.809942      4.708259
  N      -1.008198      0.890760      4.356938
  H      -0.621516      4.719410      7.380022
  H      -1.168229      3.684431      8.708520
  H       0.677183      3.025034      6.372707
  H       0.851016      2.576077      8.082099
  H       0.903486      0.016943      4.130185
  H       0.929403      1.751531      4.486127
  H       0.165301     -0.541817      6.359329
  H       1.483780      0.627851      6.607991
  H      -2.821880     -0.539710      8.489438
  H      -1.800493     -1.166163      7.183832
  H      -1.532964      1.475378      8.746043
  H      -0.339533      0.147469      8.671586
  C      -3.423331      3.843799      7.538491
  C      -3.898441      5.168656      6.956427
  O      -4.586929      4.903131      5.717554
  C      -4.145305      5.503144      4.600850
  O      -3.165235      6.244298      4.547824
  C      -5.016006      5.145523      3.410583
  N      -6.211699      4.631770      3.695245
  C      -7.029160      4.327886      2.652792
  N      -6.765566      4.488965      1.363139
  C      -5.539319      5.004841      1.049213
  C      -5.217879      5.184572     -0.319627
  C      -3.992385      5.693149     -0.674088
  C      -3.044488      6.034983      0.321600
  C      -3.321594      5.873838      1.656184
  C      -4.579361      5.361279      2.062670
  C      -1.445502      0.215909      3.134981
  C      -1.675442      1.134242      1.932788
  O      -2.700328      2.167005      2.139067
  C      -3.791560      1.799947      2.864748
  O      -3.705083      1.837754      4.152969
  C      -5.011389      1.376375      2.246596
  N      -5.940262      0.928645      3.124202
  C      -7.097036      0.462503      2.622562
  N      -7.466516      0.408186      1.350570
  C      -6.561429      0.872231      0.437265
  C      -6.921276      0.851300     -0.926965
  C      -6.053004      1.306187     -1.899874
  C      -4.794481      1.816343     -1.528819
  C      -4.408924      1.861972     -0.196399
  C      -5.271745      1.383442      0.822262
  C      -4.309207     -0.268961      6.348783
  C      -5.378475     -0.009718      7.396770
  O      -5.919516      1.324268      7.255769
  C      -7.141052      1.409379      6.666415
  O      -7.773139      0.450884      6.253037
  C      -7.635278      2.834781      6.622356
  N      -7.046729      3.687980      7.447838
  C      -7.494269      4.965880      7.436382
  N      -8.429313      5.478952      6.660433
  C      -9.042196      4.618644      5.801208
  C     -10.051889      5.122744      4.949908
  C     -10.707251      4.280179      4.075657
  C     -10.380468      2.906301      4.026230
  C      -9.400245      2.384557      4.848109
  C      -8.697722      3.226207      5.753196
  H      -3.257266      3.976503      8.620616
  H      -4.242595      3.115519      7.428298
  H      -3.079412      5.864631      6.779013
  H      -4.635681      5.626274      7.617475
  H      -8.002168      3.896630      2.911371
  H      -5.968092      4.901041     -1.060809
  H      -3.741926      5.826576     -1.733359
  H      -2.080458      6.439309      0.022641
  H      -2.594749      6.163373      2.406979
  H      -2.374583     -0.347875      3.330459
  H      -0.694479     -0.534337      2.819978
  H      -1.975067      0.518344      1.067549
  H      -0.771839      1.706356      1.674675
  H      -7.811437      0.087831      3.358834
  H      -7.910880      0.453291     -1.180298
  H      -6.338567      1.280107     -2.955686
  H      -4.118731      2.194673     -2.299291
  H      -3.447680      2.294575      0.067406
  H      -4.708743      0.028450      5.371079
  H      -4.110748     -1.355278      6.319045
  H      -6.187564     -0.736472      7.293633
  H      -4.972770     -0.052282      8.411493
  H      -7.014996      5.643724      8.143848
  H     -10.284680      6.184119      5.014469
  H     -11.483968      4.668964      3.418394
  H     -10.907859      2.250480      3.324147
  H      -9.162981      1.327961      4.813606
  N      -1.208361      3.893620      4.108933
  H      -1.518156      4.822496      4.409733
  H      -1.568162      3.734615      3.165025
  H      -0.188108      3.899305      4.056980
99
Coordinates from ORCA-job orca E -6652.855010528253
  N      -2.190957      3.352268      6.911158
  Mo     -2.259393      1.893288      5.548335
  N      -3.049611      0.448742      6.611475
  C      -2.216722     -0.225221      7.621620
  C      -1.107589      0.704581      8.101411
  N      -0.488793      1.384725      6.922272
  C       0.137535      2.696721      7.265920
  C      -0.956954      3.705858      7.615485
  C       0.471765      0.498327      6.204540
  C       0.403350      0.816522      4.709593
  N      -1.012913      0.906685      4.349064
  H      -0.604648      4.722540      7.367866
  H      -1.151002      3.701638      8.703641
  H       0.696000      3.020403      6.372734
  H       0.863659      2.582013      8.094607
  H       0.903666      0.019341      4.136731
  H       0.950379      1.758414      4.487819
  H       0.147861     -0.541366      6.365639
  H       1.490199      0.621834      6.622536
  H      -2.823491     -0.534569      8.491226
  H      -1.795823     -1.152526      7.186110
  H      -1.533822      1.483058      8.743923
  H      -0.341300      0.159255      8.674332
  C      -3.418631      3.843073      7.544020
  C      -3.903271      5.169905      6.971668
  O      -4.575115      4.898261      5.714558
  C      -4.128018      5.522473      4.601403
  O      -3.152926      6.253660      4.557369
  C      -4.985119      5.172104      3.408023
  N      -6.167801      4.637153      3.684730
  C      -6.976985      4.334247      2.646084
  N      -6.718099      4.504778      1.367516
  C      -5.500509      5.035514      1.053544
  C      -5.172099      5.211386     -0.317065
  C      -3.943707      5.727038     -0.677918
  C      -3.005682      6.092481      0.319537
  C      -3.297378      5.944345      1.665195
  C      -4.551691      5.407918      2.067931
  C      -1.464770      0.234070      3.132704
  C      -1.703840      1.149398      1.931544
  O      -2.723588      2.176274      2.144316
  C      -3.810730      1.795573      2.870706
  O      -3.712611      1.847236      4.158588
  C      -5.044306      1.345550      2.260036
  N      -5.958982      0.884313      3.151866
  C      -7.117127      0.420913      2.666183
  N      -7.503330      0.381395      1.396779
  C      -6.612755      0.850739      0.468027
  C      -6.991373      0.827691     -0.898426
  C      -6.132335      1.287557     -1.870602
  C      -4.864005      1.807338     -1.496255
  C      -4.470221      1.840026     -0.177386
  C      -5.322253      1.357285      0.838701
  C      -4.301700     -0.273148      6.340575
  C      -5.379762     -0.041396      7.396388
  O      -5.930714      1.294888      7.270796
  C      -7.149714      1.382001      6.679798
  O      -7.774604      0.421739      6.266204
  C      -7.642811      2.808640      6.622837
  N      -7.061779      3.661728      7.453458
  C      -7.499513      4.945776      7.411005
  N      -8.418111      5.464478      6.611141
  C      -9.025438      4.604535      5.754265
  C     -10.019138      5.114232      4.888524
  C     -10.667202      4.270250      4.013464
  C     -10.347830      2.890433      3.975105
  C      -9.382729      2.363627      4.810200
  C      -8.688914      3.205707      5.722924
  H      -3.249698      3.971302      8.631627
  H      -4.238474      3.107764      7.430468
  H      -3.081671      5.890174      6.817547
  H      -4.671306      5.611321      7.635688
  H      -7.947585      3.902159      2.908706
  H      -5.915585      4.917335     -1.057071
  H      -3.691530      5.862428     -1.732121
  H      -2.043312      6.510675      0.020544
  H      -2.584323      6.258899      2.428478
  H      -2.392517     -0.324358      3.335266
  H      -0.718634     -0.518557      2.818295
  H      -2.011267      0.537949      1.069152
  H      -0.806218      1.710439      1.670801
  H      -7.818007      0.030228      3.421310
  H      -7.972165      0.442430     -1.138268
  H      -6.429123      1.265656     -2.922609
  H      -4.194182      2.189911     -2.261305
  H      -3.507292      2.269085      0.083171
  H      -4.699112      0.035226      5.355864
  H      -4.096209     -1.364888      6.294131
  H      -6.184844     -0.780752      7.276394
  H      -4.978148     -0.095288      8.420244
  H      -7.033717      5.622000      8.141517
  H     -10.245236      6.180551      4.941289
  H     -11.431341      4.663081      3.342247
  H     -10.868960      2.233494      3.272759
  H      -9.153328      1.300963      4.789078
  N      -1.209025      3.895803      4.098316
  H      -1.507466      4.819570      4.409028
  H      -1.577757      3.748869      3.160092
  H      -0.182260      3.894691      4.030884
99
Coordinates from ORCA-job orca E -6652.855444431687
  N      -2.208146      3.348661      6.920681
  Mo     -2.277863      1.893914      5.548014
  N      -3.048502      0.436875      6.608466
  C      -2.201655     -0.234911      7.609187
  C      -1.094555      0.696936      8.084675
  N      -0.489333      1.386881      6.905136
  C       0.127754      2.700419      7.251542
  C      -0.976497      3.701541      7.623159
  C       0.473488      0.509781      6.178837
  C       0.390776      0.835623      4.690902
  N      -1.025773      0.920400      4.338582
  H      -0.637334      4.726497      7.385490
  H      -1.165547      3.684066      8.711623
  H       0.668780      3.032598      6.359157
  H       0.861207      2.581329      8.067471
  H       0.893127      0.045932      4.112215
  H       0.925208      1.781332      4.471997
  H       0.161618     -0.531837      6.334126
  H       1.489386      0.635850      6.588824
  H      -2.798475     -0.550033      8.479401
  H      -1.778125     -1.157343      7.169222
  H      -1.521782      1.469804      8.732002
  H      -0.319096      0.153864      8.648960
  C      -3.433386      3.838841      7.550267
  C      -3.905214      5.172843      6.987847
  O      -4.573597      4.927616      5.725533
  C      -4.127524      5.548722      4.622235
  O      -3.161821      6.292091      4.586487
  C      -4.975762      5.186791      3.425502
  N      -6.152528      4.651142      3.700062
  C      -6.945565      4.326278      2.648668
  N      -6.674834      4.481698      1.365617
  C      -5.465226      5.020912      1.061542
  C      -5.131752      5.196391     -0.299982
  C      -3.909383      5.724525     -0.649501
  C      -2.977927      6.096609      0.345587
  C      -3.277690      5.951555      1.686009
  C      -4.531229      5.410960      2.083797
  C      -1.478723      0.247013      3.129118
  C      -1.721378      1.157966      1.928782
  O      -2.755084      2.172556      2.146467
  C      -3.836035      1.788014      2.880800
  O      -3.733214      1.837908      4.170313
  C      -5.063298      1.333412      2.275735
  N      -5.968371      0.869712      3.159787
  C      -7.124633      0.387408      2.670716
  N      -7.513727      0.330407      1.406272
  C      -6.627671      0.818851      0.495031
  C      -7.015366      0.786598     -0.871453
  C      -6.163757      1.274544     -1.839596
  C      -4.910146      1.801863     -1.485802
  C      -4.504503      1.843867     -0.161889
  C      -5.341487      1.348163      0.865178
  C      -4.301677     -0.285358      6.346518
  C      -5.385223     -0.040229      7.393714
  O      -5.928977      1.295724      7.249603
  C      -7.144192      1.379835      6.665765
  O      -7.772929      0.419908      6.268385
  C      -7.626252      2.812405      6.594340
  N      -7.051717      3.667568      7.433334
  C      -7.488717      4.952390      7.407355
  N      -8.401221      5.468880      6.615404
  C      -8.997543      4.609004      5.735698
  C      -9.975475      5.122826      4.841962
  C     -10.617263      4.278566      3.965454
  C     -10.305917      2.895338      3.949656
  C      -9.351305      2.367093      4.788811
  C      -8.662872      3.209643      5.695919
  H      -3.269942      3.950774      8.639837
  H      -4.252992      3.113367      7.424529
  H      -3.083927      5.883595      6.840156
  H      -4.661777      5.607500      7.652203
  H      -7.915673      3.893363      2.909135
  H      -5.868601      4.893678     -1.041865
  H      -3.657268      5.867077     -1.691630
  H      -2.014163      6.519476      0.050919
  H      -2.570612      6.271013      2.448235
  H      -2.406275     -0.315484      3.331140
  H      -0.730722     -0.496642      2.818930
  H      -2.016456      0.537625      1.062839
  H      -0.823250      1.742178      1.666016
  H      -7.822077     -0.011426      3.412584
  H      -8.003708      0.369812     -1.116360
  H      -6.464080      1.251312     -2.886856
  H      -4.251444      2.198699     -2.262113
  H      -3.549820      2.283786      0.086582
  H      -4.695344      0.008044      5.361826
  H      -4.097390     -1.371507      6.315121
  H      -6.193863     -0.778365      7.279626
  H      -4.988634     -0.081349      8.419760
  H      -7.025655      5.628896      8.140550
  H     -10.197507      6.191437      4.886660
  H     -11.371161      4.674014      3.280089
  H     -10.824624      2.237892      3.260361
  H      -9.128430      1.302242      4.779041
  N      -1.254405      3.919356      4.112055
  H      -1.554023      4.847311      4.431538
  H      -1.631660      3.777780      3.165040
  H      -0.239178      3.921388      4.042959
99
Coordinates from ORCA-job orca E -6652.853780448835
  N      -2.195881      3.344606      6.921032
  Mo     -2.272340      1.885556      5.549708
  N      -3.045820      0.435697      6.617257
  C      -2.195858     -0.236739      7.613000
  C      -1.083477      0.696137      8.082347
  N      -0.478622      1.384789      6.899333
  C       0.137333      2.701041      7.237632
  C      -0.967381      3.696883      7.614686
  C       0.481100      0.508021      6.163742
  C       0.385236      0.817892      4.676000
  N      -1.028843      0.894787      4.344321
  H      -0.630530      4.722004      7.378589
  H      -1.159406      3.677320      8.702711
  H       0.674076      3.038531      6.337386
  H       0.873938      2.585804      8.050166
  H       0.884360      0.026459      4.093660
  H       0.911372      1.759820      4.446944
  H       0.181238     -0.530001      6.329300
  H       1.494223      0.644482      6.556599
  H      -2.787579     -0.549106      8.489858
  H      -1.779324     -1.164229      7.169529
  H      -1.506328      1.473372      8.732288
  H      -0.309481      0.151065      8.646384
  C      -3.417541      3.836309      7.557986
  C      -3.896272      5.172698      7.004792
  O      -4.574867      4.928632      5.750879
  C      -4.122456      5.523995      4.649164
  O      -3.144613      6.266800      4.614555
  C      -4.972479      5.162600      3.448727
  N      -6.151377      4.629935      3.719251
  C      -6.951505      4.323453      2.672407
  N      -6.685513      4.493307      1.392760
  C      -5.473873      5.032882      1.095038
  C      -5.138172      5.213805     -0.271498
  C      -3.914935      5.741734     -0.617852
  C      -2.983851      6.104616      0.384762
  C      -3.278788      5.942128      1.719674
  C      -4.532852      5.402986      2.114419
  C      -1.481088      0.224643      3.117631
  C      -1.731277      1.146158      1.917088
  O      -2.749219      2.181742      2.142881
  C      -3.832765      1.791412      2.881080
  O      -3.735213      1.834118      4.167181
  C      -5.054716      1.338106      2.274436
  N      -5.955754      0.871931      3.164591
  C      -7.103420      0.393725      2.687563
  N      -7.500726      0.330381      1.417636
  C      -6.626685      0.809732      0.489377
  C      -7.015291      0.791427     -0.868365
  C      -6.174648      1.277900     -1.851684
  C      -4.920063      1.812889     -1.504313
  C      -4.504891      1.858194     -0.175749
  C      -5.339381      1.346880      0.855830
  C      -4.306068     -0.270064      6.371939
  C      -5.375257      0.012622      7.414762
  O      -5.916924      1.344202      7.237759
  C      -7.144920      1.409189      6.659962
  O      -7.787752      0.434843      6.291149
  C      -7.636931      2.833101      6.576094
  N      -7.067142      3.696537      7.399617
  C      -7.519057      4.969145      7.374196
  N      -8.437228      5.467801      6.587283
  C      -9.027235      4.599236      5.718518
  C     -10.009275      5.093067      4.818255
  C     -10.640215      4.242511      3.929612
  C     -10.315951      2.872231      3.913597
  C      -9.359794      2.361964      4.772757
  C      -8.680739      3.211857      5.686901
  H      -3.246168      3.948837      8.641928
  H      -4.236552      3.110454      7.439015
  H      -3.074094      5.885935      6.852045
  H      -4.649431      5.606638      7.676979
  H      -7.911453      3.877855      2.919349
  H      -5.872546      4.913375     -1.021694
  H      -3.650680      5.875111     -1.678081
  H      -2.015627      6.521084      0.088545
  H      -2.564566      6.244138      2.473524
  H      -2.408236     -0.344524      3.321825
  H      -0.733722     -0.526048      2.791751
  H      -2.049886      0.537492      1.059831
  H      -0.838962      1.708052      1.645556
  H      -7.792934      0.008427      3.430885
  H      -7.988692      0.396545     -1.087751
  H      -6.474448      1.267545     -2.890228
  H      -4.261869      2.227830     -2.280113
  H      -3.533604      2.332200      0.086929
  H      -4.706229      0.010149      5.392328
  H      -4.110616     -1.353788      6.360340
  H      -6.184813     -0.718826      7.330271
  H      -4.969110     -0.001872      8.432408
  H      -7.052136      5.655696      8.065917
  H     -10.241217      6.152552      4.858775
  H     -11.395133      4.623283      3.234054
  H     -10.824054      2.210151      3.203158
  H      -9.124077      1.308093      4.757053
  N      -1.238005      3.898175      4.109643
  H      -1.533057      4.830601      4.424257
  H      -1.614718      3.752433      3.165136
  H      -0.224763      3.898728      4.040871
99
Coordinates from ORCA-job orca E -6652.854677579164
  N      -2.200038      3.349212      6.904459
  Mo     -2.265416      1.888700      5.542285
  N      -3.062038      0.445500      6.606336
  C      -2.226608     -0.226214      7.618085
  C      -1.120078      0.708410      8.101014
  N      -0.498662      1.390639      6.921489
  C       0.123404      2.705293      7.258651
  C      -0.971872      3.705311      7.607463
  C       0.468500      0.507230      6.203759
  C       0.396198      0.813485      4.708155
  N      -1.013640      0.890605      4.356292
  H      -0.620879      4.730058      7.366366
  H      -1.176676      3.694673      8.696466
  H       0.676338      3.036889      6.366901
  H       0.843863      2.594666      8.078297
  H       0.900486      0.019724      4.132394
  H       0.928050      1.754511      4.479331
  H       0.158462     -0.531104      6.370972
  H       1.480720      0.644351      6.613674
  H      -2.834037     -0.536632      8.488560
  H      -1.805997     -1.155542      7.180012
  H      -1.548902      1.489259      8.742962
  H      -0.355457      0.164603      8.676697
  C      -3.429432      3.849232      7.528859
  C      -3.906140      5.180567      6.954521
  O      -4.583630      4.917931      5.703071
  C      -4.131006      5.498396      4.594330
  O      -3.140312      6.227112      4.551021
  C      -4.999295      5.142570      3.400645
  N      -6.195760      4.628361      3.685306
  C      -7.016318      4.332174      2.646799
  N      -6.754177      4.494186      1.359128
  C      -5.529123      5.011953      1.044720
  C      -5.208471      5.190333     -0.328034
  C      -3.985842      5.702358     -0.682691
  C      -3.039756      6.049618      0.316144
  C      -3.314137      5.887075      1.651176
  C      -4.567159      5.366915      2.055968
  C      -1.454268      0.208586      3.138178
  C      -1.680528      1.116897      1.930609
  O      -2.700012      2.151583      2.131835
  C      -3.791293      1.792179      2.858586
  O      -3.702605      1.834359      4.145617
  C      -5.014320      1.368416      2.244332
  N      -5.947005      0.919211      3.126195
  C      -7.102600      0.461571      2.627363
  N      -7.474906      0.413684      1.344840
  C      -6.566814      0.874706      0.429388
  C      -6.924577      0.860443     -0.937487
  C      -6.049766      1.311924     -1.898040
  C      -4.782423      1.819366     -1.506789
  C      -4.408539      1.846611     -0.187287
  C      -5.275176      1.376174      0.819901
  C      -4.315403     -0.272982      6.345541
  C      -5.381487     -0.025684      7.401443
  O      -5.923833      1.308007      7.274091
  C      -7.135554      1.399242      6.671902
  O      -7.754423      0.445326      6.240861
  C      -7.634509      2.821637      6.638777
  N      -7.056355      3.668107      7.484450
  C      -7.506883      4.945851      7.478461
  N      -8.435486      5.466215      6.688052
  C      -9.039017      4.612284      5.813338
  C     -10.045788      5.122058      4.963738
  C     -10.694241      4.284310      4.086321
  C     -10.361370      2.910456      4.025283
  C      -9.383391      2.383140      4.844738
  C      -8.690561      3.218749      5.761153
  H      -3.265326      3.977864      8.613265
  H      -4.249574      3.118539      7.414531
  H      -3.083027      5.890191      6.793776
  H      -4.659339      5.628413      7.619012
  H      -7.987598      3.899756      2.903214
  H      -5.958288      4.905701     -1.070580
  H      -3.735211      5.832714     -1.746020
  H      -2.078357      6.459163      0.016795
  H      -2.587457      6.177604      2.402501
  H      -2.386129     -0.355023      3.337553
  H      -0.705286     -0.541954      2.827835
  H      -1.990076      0.495182      1.070991
  H      -0.770767      1.679594      1.669457
  H      -7.819644      0.082207      3.366484
  H      -7.912026      0.473916     -1.198638
  H      -6.338137      1.283975     -2.962768
  H      -4.103571      2.190950     -2.267410
  H      -3.451771      2.261512      0.079534
  H      -4.719087      0.024495      5.366512
  H      -4.112082     -1.359533      6.311253
  H      -6.190534     -0.755774      7.293840
  H      -4.971445     -0.076668      8.416383
  H      -7.033536      5.619825      8.193697
  H     -10.282982      6.183333      5.037845
  H     -11.470309      4.676062      3.438651
  H     -10.882346      2.258745      3.318316
  H      -9.141625      1.326800      4.802936
  N      -1.210254      3.886041      4.089126
  H      -1.524629      4.812672      4.385412
  H      -1.564676      3.723659      3.150984
  H      -0.185051      3.899078      4.038161
99
Coordinates from ORCA-job orca E -6652.855123649727
  N      -2.194112      3.348330      6.925032
  Mo     -2.263708      1.894568      5.552598
  N      -3.044083      0.441418      6.610321
  C      -2.204105     -0.237651      7.613479
  C      -1.095670      0.687691      8.096355
  N      -0.484299      1.377217      6.920523
  C       0.135809      2.687977      7.275843
  C      -0.963827      3.694094      7.637219
  C       0.477917      0.496427      6.197236
  C       0.404606      0.827482      4.707430
  N      -1.011118      0.917552      4.345737
  H      -0.618290      4.716405      7.403422
  H      -1.156828      3.676592      8.725824
  H       0.687553      3.017899      6.390051
  H       0.860303      2.566065      8.099852
  H       0.907163      0.034955      4.129465
  H       0.945082      1.773503      4.493799
  H       0.159343     -0.545715      6.348889
  H       1.494445      0.616636      6.614806
  H      -2.806744     -0.551534      8.480630
  H      -1.782444     -1.162148      7.172541
  H      -1.522882      1.461084      8.744458
  H      -0.324328      0.139649      8.662436
  C      -3.418721      3.843372      7.551020
  C      -3.895663      5.167020      6.971152
  O      -4.571561      4.897310      5.721198
  C      -4.135015      5.537484      4.605182
  O      -3.171955      6.283420      4.556695
  C      -4.993165      5.181386      3.412543
  N      -6.174283      4.643041      3.686806
  C      -6.979115      4.326964      2.642007
  N      -6.717043      4.494150      1.361517
  C      -5.499642      5.025606      1.050318
  C      -5.170972      5.201707     -0.316736
  C      -3.941386      5.712221     -0.678022
  C      -3.000501      6.070325      0.314278
  C      -3.296020      5.930393      1.662841
  C      -4.553548      5.403127      2.067746
  C      -1.459750      0.246324      3.136133
  C      -1.702020      1.161407      1.938511
  O      -2.736373      2.177845      2.151860
  C      -3.819100      1.800781      2.880113
  O      -3.718390      1.851003      4.171665
  C      -5.052343      1.351763      2.268302
  N      -5.967134      0.893932      3.152633
  C      -7.129355      0.421583      2.658105
  N      -7.509141      0.377608      1.397343
  C      -6.615436      0.853005      0.480240
  C      -6.995030      0.823959     -0.888158
  C      -6.137652      1.286928     -1.864389
  C      -4.877407      1.802072     -1.502509
  C      -4.478743      1.845395     -0.174997
  C      -5.328202      1.362276      0.848803
  C      -4.297431     -0.275902      6.340652
  C      -5.378252     -0.039240      7.391904
  O      -5.929829      1.295103      7.258150
  C      -7.149368      1.379289      6.672022
  O      -7.776563      0.419113      6.264710
  C      -7.634005      2.812523      6.604808
  N      -7.044027      3.671726      7.423462
  C      -7.475275      4.960984      7.377347
  N      -8.398912      5.477752      6.585942
  C      -9.014232      4.611805      5.738004
  C     -10.010789      5.121141      4.874058
  C     -10.666742      4.272627      4.009503
  C     -10.353021      2.887630      3.982168
  C      -9.385275      2.361288      4.812918
  C      -8.682850      3.208396      5.711248
  H      -3.253348      3.971434      8.636797
  H      -4.237155      3.112774      7.436798
  H      -3.077843      5.872925      6.806027
  H      -4.647293      5.616090      7.630007
  H      -7.948753      3.890840      2.902074
  H      -5.917039      4.913280     -1.051211
  H      -3.693774      5.853768     -1.723576
  H      -2.037216      6.484342      0.015645
  H      -2.583421      6.244652      2.427232
  H      -2.385206     -0.311910      3.336394
  H      -0.709879     -0.500495      2.823886
  H      -1.993225      0.543628      1.070491
  H      -0.803769      1.744527      1.679156
  H      -7.833069      0.028843      3.402694
  H      -7.986573      0.420043     -1.135847
  H      -6.431722      1.265247     -2.912492
  H      -4.210452      2.184224     -2.275287
  H      -3.517907      2.276814      0.079774
  H      -4.691424      0.029626      5.358020
  H      -4.093721     -1.364947      6.298088
  H      -6.182765     -0.778525      7.276615
  H      -4.978017     -0.085938      8.414411
  H      -7.003893      5.641093      8.109110
  H     -10.232339      6.191537      4.919277
  H     -11.432728      4.665968      3.337239
  H     -10.881075      2.226923      3.292057
  H      -9.160437      1.294875      4.799850
  N      -1.228657      3.914919      4.120637
  H      -1.533571      4.838776      4.432783
  H      -1.594261      3.767216      3.175983
  H      -0.206128      3.915181      4.059953
99
Coordinates from ORCA-job orca E -6652.855616637834
  N      -2.201746      3.346982      6.914030
  Mo     -2.273583      1.888068      5.547697
  N      -3.052125      0.439019      6.613412
  C      -2.211237     -0.231689      7.617434
  C      -1.101048      0.702001      8.089469
  N      -0.492015      1.385272      6.905993
  C       0.130958      2.699435      7.242782
  C      -0.965413      3.703185      7.611747
  C       0.467153      0.503452      6.179829
  C       0.386620      0.818418      4.689309
  N      -1.029124      0.906770      4.341931
  H      -0.617504      4.724119      7.366377
  H      -1.151217      3.693348      8.701757
  H       0.672110      3.029155      6.343076
  H       0.868202      2.583262      8.057719
  H       0.884911      0.024585      4.113586
  H       0.926516      1.758975      4.463679
  H       0.151519     -0.535167      6.342263
  H       1.483841      0.630284      6.586912
  H      -2.808798     -0.542210      8.491562
  H      -1.791328     -1.157748      7.181119
  H      -1.525102      1.479303      8.735219
  H      -0.329641      0.158222      8.657591
  C      -3.429211      3.837373      7.549026
  C      -3.905625      5.173270      6.989128
  O      -4.583393      4.925111      5.732458
  C      -4.130400      5.536707      4.624589
  O      -3.154958      6.270161      4.587721
  C      -4.978320      5.180176      3.426992
  N      -6.158291      4.648050      3.702342
  C      -6.951896      4.329753      2.650729
  N      -6.679949      4.483612      1.364737
  C      -5.469321      5.023726      1.061093
  C      -5.136197      5.202333     -0.300354
  C      -3.915023      5.740474     -0.643777
  C      -2.986308      6.119420      0.357500
  C      -3.282093      5.962595      1.691782
  C      -4.534997      5.412749      2.085687
  C      -1.487040      0.239950      3.118619
  C      -1.726520      1.161298      1.918436
  O      -2.744620      2.187501      2.142487
  C      -3.829479      1.790711      2.876236
  O      -3.731410      1.839728      4.160147
  C      -5.049612      1.332667      2.272590
  N      -5.947499      0.863650      3.164632
  C      -7.095189      0.378996      2.684723
  N      -7.491819      0.312562      1.412485
  C      -6.615241      0.802448      0.489429
  C      -7.004158      0.769713     -0.872260
  C      -6.158106      1.269247     -1.842573
  C      -4.906557      1.814692     -1.490140
  C      -4.498863      1.857186     -0.168607
  C      -5.329730      1.348430      0.860130
  C      -4.307002     -0.279915      6.351380
  C      -5.385616     -0.030043      7.400853
  O      -5.926172      1.309332      7.257320
  C      -7.143355      1.395007      6.670211
  O      -7.772767      0.435054      6.268472
  C      -7.634484      2.821028      6.605836
  N      -7.068578      3.674689      7.450389
  C      -7.514224      4.953398      7.425910
  N      -8.422915      5.466303      6.627210
  C      -9.011080      4.607532      5.742685
  C      -9.985457      5.116267      4.840414
  C     -10.618798      4.271014      3.955798
  C     -10.302577      2.892634      3.942113
  C      -9.350372      2.369704      4.790367
  C      -8.670038      3.213366      5.704441
  H      -3.262395      3.953056      8.639055
  H      -4.252574      3.110044      7.426484
  H      -3.081094      5.886188      6.836019
  H      -4.664600      5.612496      7.657624
  H      -7.921554      3.898756      2.910739
  H      -5.870201      4.893590     -1.048805
  H      -3.657997      5.880457     -1.691677
  H      -2.023201      6.548293      0.067042
  H      -2.574894      6.286014      2.454469
  H      -2.417365     -0.323112      3.319393
  H      -0.744375     -0.511487      2.799890
  H      -2.034237      0.553704      1.050948
  H      -0.831705      1.726851      1.657872
  H      -7.784451     -0.015757      3.436000
  H      -7.983767      0.350341     -1.107233
  H      -6.459724      1.245695     -2.887880
  H      -4.251845      2.223046     -2.266694
  H      -3.546288      2.309459      0.079496
  H      -4.704582      0.017353      5.366418
  H      -4.106259     -1.369566      6.318309
  H      -6.196320     -0.764671      7.287833
  H      -4.986998     -0.073382      8.427415
  H      -7.056514      5.629866      8.157071
  H     -10.211981      6.180993      4.883745
  H     -11.369946      4.662153      3.262359
  H     -10.814831      2.234534      3.245850
  H      -9.122519      1.308290      4.780144
  N      -1.234029      3.901826      4.100679
  H      -1.525482      4.831618      4.419838
  H      -1.614754      3.761872      3.154526
  H      -0.218320      3.898651      4.028817
99
Coordinates from ORCA-job orca E -6652.854766178194
  N      -2.209950      3.348667      6.914043
  Mo     -2.275007      1.893130      5.542619
  N      -3.052157      0.438668      6.602841
  C      -2.205250     -0.231502      7.605531
  C      -1.099332      0.701610      8.084249
  N      -0.488397      1.392656      6.906583
  C       0.125284      2.707125      7.253190
  C      -0.985176      3.704324      7.613221
  C       0.479669      0.517549      6.182025
  C       0.394470      0.835697      4.691690
  N      -1.018091      0.907524      4.345114
  H      -0.649795      4.730985      7.374437
  H      -1.189209      3.689336      8.697039
  H       0.674887      3.040974      6.362398
  H       0.850072      2.591801      8.075301
  H       0.900022      0.047024      4.110343
  H       0.918718      1.782010      4.468950
  H       0.177965     -0.524065      6.341828
  H       1.491087      0.655235      6.587674
  H      -2.805724     -0.546339      8.474502
  H      -1.782416     -1.156114      7.163517
  H      -1.528644      1.476725      8.729830
  H      -0.326313      0.159796      8.651535
  C      -3.435474      3.841234      7.538932
  C      -3.905858      5.173806      6.976207
  O      -4.565703      4.931169      5.708578
  C      -4.116192      5.527150      4.613875
  O      -3.140946      6.271809      4.580935
  C      -4.973250      5.162169      3.419091
  N      -6.157151      4.638231      3.699353
  C      -6.967782      4.335226      2.662037
  N      -6.705489      4.504429      1.384593
  C      -5.489079      5.031077      1.076405
  C      -5.157752      5.202510     -0.294766
  C      -3.933585      5.710701     -0.651555
  C      -2.996593      6.063798      0.345417
  C      -3.285246      5.912170      1.682904
  C      -4.538614      5.392090      2.085395
  C      -1.457333      0.224455      3.136252
  C      -1.698786      1.127743      1.932485
  O      -2.734577      2.149580      2.138249
  C      -3.819671      1.783479      2.870866
  O      -3.719964      1.828715      4.163501
  C      -5.052181      1.342671      2.260742
  N      -5.975338      0.886719      3.141481
  C      -7.134597      0.424240      2.650246
  N      -7.515657      0.382574      1.380105
  C      -6.616529      0.850455      0.466776
  C      -6.988431      0.838384     -0.898376
  C      -6.124615      1.294263     -1.864203
  C      -4.858084      1.795352     -1.490435
  C      -4.464741      1.830044     -0.165880
  C      -5.323132      1.353487      0.846544
  C      -4.307917     -0.277251      6.350277
  C      -5.381171     -0.017398      7.397769
  O      -5.923268      1.312668      7.246878
  C      -7.138927      1.389861      6.657517
  O      -7.772574      0.422868      6.266124
  C      -7.626259      2.817769      6.594136
  N      -7.047128      3.670411      7.429803
  C      -7.493589      4.946991      7.423391
  N      -8.421887      5.459088      6.648684
  C      -9.021776      4.601814      5.770338
  C     -10.017755      5.109796      4.898234
  C     -10.661901      4.271055      4.016395
  C     -10.335701      2.898238      3.971742
  C      -9.366512      2.374362      4.798813
  C      -8.676358      3.211426      5.713878
  H      -3.271826      3.954151      8.625639
  H      -4.251496      3.115329      7.414132
  H      -3.085057      5.885297      6.836868
  H      -4.661626      5.602113      7.639671
  H      -7.939212      3.900627      2.920166
  H      -5.896986      4.905951     -1.042405
  H      -3.672587      5.832343     -1.716954
  H      -2.028627      6.465911      0.040177
  H      -2.564711      6.198126      2.429722
  H      -2.383684     -0.342895      3.340076
  H      -0.703122     -0.516892      2.827222
  H      -2.001260      0.501348      1.079844
  H      -0.796030      1.705747      1.664944
  H      -7.844284      0.036457      3.389256
  H      -7.969949      0.463765     -1.141843
  H      -6.421289      1.272641     -2.921712
  H      -4.184202      2.175852     -2.255105
  H      -3.494362      2.262125      0.103281
  H      -4.705469      0.008331      5.370111
  H      -4.105060     -1.358881      6.328176
  H      -6.189923     -0.750869      7.297786
  H      -4.976379     -0.050279      8.414592
  H      -7.020272      5.624024      8.128997
  H     -10.250411      6.170415      4.962928
  H     -11.429497      4.661743      3.352913
  H     -10.854138      2.245099      3.269294
  H      -9.130906      1.319180      4.765480
  N      -1.246772      3.910045      4.102656
  H      -1.560972      4.836254      4.413093
  H      -1.609096      3.760082      3.157656
  H      -0.230548      3.926485      4.044767
99
Coordinates from ORCA-job orca E -6652.855750997886
  N      -2.190424      3.350997      6.918464
  Mo     -2.267226      1.890936      5.551461
  N      -3.049400      0.444426      6.618302
  C      -2.204885     -0.230526      7.620054
  C      -1.092369      0.699606      8.094329
  N      -0.483578      1.384535      6.912118
  C       0.136953      2.699296      7.252195
  C      -0.960219      3.700288      7.619763
  C       0.476740      0.502203      6.184044
  C       0.390413      0.812634      4.693805
  N      -1.023800      0.896530      4.350580
  H      -0.617061      4.725025      7.385512
  H      -1.152145      3.680905      8.711280
  H       0.678754      3.032363      6.359510
  H       0.866085      2.584295      8.065861
  H       0.889381      0.017210      4.116058
  H       0.923316      1.753439      4.465717
  H       0.168907     -0.535782      6.349689
  H       1.492073      0.633842      6.585107
  H      -2.802515     -0.540554      8.494194
  H      -1.788285     -1.159658      7.178762
  H      -1.515806      1.478229      8.742694
  H      -0.320327      0.152630      8.660838
  C      -3.411952      3.847435      7.553251
  C      -3.894075      5.180694      6.987889
  O      -4.575974      4.918327      5.738917
  C      -4.125790      5.516713      4.627093
  O      -3.145481      6.250026      4.585034
  C      -4.985938      5.161415      3.429053
  N      -6.170548      4.628784      3.701100
  C      -6.977766      4.321089      2.653729
  N      -6.715265      4.491734      1.370465
  C      -5.498252      5.024906      1.065673
  C      -5.172424      5.210551     -0.302206
  C      -3.948089      5.729919     -0.655380
  C      -3.005714      6.080568      0.341826
  C      -3.294242      5.923671      1.684933
  C      -4.548443      5.391830      2.085420
  C      -1.475792      0.223010      3.132172
  C      -1.716769      1.138042      1.928760
  O      -2.739123      2.169071      2.144491
  C      -3.821772      1.797157      2.878083
  O      -3.725865      1.844110      4.166336
  C      -5.044871      1.358216      2.266641
  N      -5.960400      0.898759      3.148880
  C      -7.115152      0.423361      2.653572
  N      -7.495232      0.369455      1.383960
  C      -6.603593      0.846332      0.467302
  C      -6.979501      0.822759     -0.900342
  C      -6.123615      1.294571     -1.874661
  C      -4.866171      1.819164     -1.507304
  C      -4.472415      1.855521     -0.182602
  C      -5.319941      1.363490      0.840869
  C      -4.303650     -0.272131      6.361459
  C      -5.376214     -0.016692      7.411822
  O      -5.927572      1.315067      7.262941
  C      -7.148469      1.391511      6.674648
  O      -7.772692      0.428801      6.270363
  C      -7.640764      2.819330      6.606562
  N      -7.060610      3.681051      7.428330
  C      -7.501912      4.965244      7.387375
  N      -8.422888      5.476488      6.588616
  C      -9.028309      4.607303      5.737055
  C     -10.023858      5.109276      4.868317
  C     -10.669451      4.258145      3.995956
  C     -10.345950      2.878118      3.963678
  C      -9.380215      2.358008      4.806911
  C      -8.688946      3.207808      5.714287
  H      -3.241238      3.969394      8.636006
  H      -4.231013      3.117842      7.441535
  H      -3.072164      5.895187      6.825665
  H      -4.649381      5.625075      7.657665
  H      -7.940067      3.875948      2.903143
  H      -5.919773      4.927779     -1.039814
  H      -3.701021      5.877503     -1.704123
  H      -2.042786      6.497881      0.046634
  H      -2.576487      6.228417      2.445928
  H      -2.404196     -0.339528      3.334786
  H      -0.728570     -0.528279      2.814130
  H      -2.024961      0.519546      1.065715
  H      -0.814783      1.707832      1.661035
  H      -7.819185      0.034403      3.389121
  H      -7.965937      0.418615     -1.147773
  H      -6.415369      1.276595     -2.923680
  H      -4.199469      2.213019     -2.277504
  H      -3.512590      2.297671      0.078021
  H      -4.703601      0.018964      5.380870
  H      -4.100651     -1.358617      6.334417
  H      -6.180907     -0.753988      7.312559
  H      -4.969837     -0.049613      8.430160
  H      -7.029224      5.650716      8.090190
  H     -10.253345      6.176364      4.916109
  H     -11.434839      4.645282      3.323890
  H     -10.864158      2.215819      3.257916
  H      -9.146676      1.296093      4.787902
  N      -1.219201      3.894156      4.108587
  H      -1.519603      4.824568      4.409815
  H      -1.585968      3.735430      3.173039
  H      -0.194028      3.892920      4.046073
99
Coordinates from ORCA-job orca E -6652.854744187708
  N      -2.206861      3.342050      6.917641
  Mo     -2.267351      1.890556      5.545410
  N      -3.052386      0.434647      6.598392
  C      -2.219160     -0.242016      7.605032
  C      -1.119168      0.690425      8.094380
  N      -0.499279      1.380869      6.922205
  C       0.121922      2.691532      7.273114
  C      -0.977277      3.691739      7.629284
  C       0.465685      0.502452      6.202196
  C       0.404233      0.839011      4.708721
  N      -1.009154      0.922375      4.339986
  H      -0.626124      4.712866      7.392737
  H      -1.174207      3.676350      8.716119
  H       0.676540      3.025048      6.378625
  H       0.851484      2.573385      8.099254
  H       0.911846      0.052592      4.128640
  H       0.945545      1.788480      4.498114
  H       0.142052     -0.541833      6.350680
  H       1.481817      0.623892      6.628187
  H      -2.827049     -0.561402      8.470276
  H      -1.791162     -1.162643      7.164985
  H      -1.552055      1.462506      8.737660
  H      -0.354785      0.146251      8.667291
  C      -3.437512      3.834336      7.540915
  C      -3.909858      5.158613      6.961637
  O      -4.588550      4.900344      5.714582
  C      -4.149848      5.540300      4.602007
  O      -3.182662      6.290079      4.555509
  C      -5.000602      5.180955      3.409274
  N      -6.183372      4.649546      3.688888
  C      -6.983565      4.331319      2.643405
  N      -6.714945      4.482108      1.358673
  C      -5.497446      5.011950      1.045424
  C      -5.164692      5.180595     -0.320278
  C      -3.937137      5.701312     -0.674975
  C      -3.003035      6.076092      0.320340
  C      -3.298189      5.933662      1.659802
  C      -4.556129      5.399190      2.063011
  C      -1.452610      0.250822      3.124720
  C      -1.688390      1.169792      1.928825
  O      -2.715275      2.187411      2.139757
  C      -3.804528      1.797319      2.866165
  O      -3.707510      1.843804      4.152376
  C      -5.035618      1.337245      2.258419
  N      -5.943615      0.878185      3.154241
  C      -7.099583      0.409408      2.674725
  N      -7.492275      0.354361      1.405049
  C      -6.607562      0.825861      0.475071
  C      -6.991705      0.795349     -0.885602
  C      -6.137399      1.266692     -1.862467
  C      -4.874987      1.792568     -1.506613
  C      -4.469619      1.839615     -0.182377
  C      -5.313086      1.351811      0.844425
  C      -4.308611     -0.277468      6.326344
  C      -5.382838     -0.038878      7.381683
  O      -5.918726      1.301118      7.254438
  C      -7.136483      1.395841      6.665562
  O      -7.771703      0.439998      6.253754
  C      -7.622751      2.823408      6.615955
  N      -7.046666      3.667747      7.466687
  C      -7.486980      4.946750      7.450326
  N      -8.402711      5.466919      6.655694
  C      -9.001982      4.617205      5.769578
  C      -9.988548      5.131737      4.891303
  C     -10.635590      4.295244      4.015162
  C     -10.321178      2.918931      3.986705
  C      -9.358473      2.389805      4.814376
  C      -8.665122      3.224221      5.722536
  H      -3.275662      3.962319      8.628518
  H      -4.258358      3.105260      7.420157
  H      -3.093468      5.854819      6.794362
  H      -4.652578      5.609701      7.617423
  H      -7.955741      3.905642      2.905617
  H      -5.904354      4.879022     -1.060910
  H      -3.682079      5.833084     -1.724399
  H      -2.041021      6.497199      0.024450
  H      -2.589319      6.258117      2.422539
  H      -2.380774     -0.310731      3.321436
  H      -0.704466     -0.495955      2.812887
  H      -1.985310      0.562770      1.060150
  H      -0.794007      1.741082      1.677909
  H      -7.794624      0.026450      3.432559
  H      -7.979756      0.388916     -1.123154
  H      -6.436015      1.243632     -2.906681
  H      -4.212659      2.178068     -2.282982
  H      -3.512682      2.270260      0.062438
  H      -4.705381      0.036805      5.344438
  H      -4.112341     -1.368846      6.277450
  H      -6.195555     -0.768697      7.263568
  H      -4.980684     -0.095918      8.403746
  H      -7.028804      5.613739      8.213341
  H     -10.212549      6.194467      4.945369
  H     -11.396085      4.691589      3.338416
  H     -10.844130      2.267688      3.298425
  H      -9.132187      1.329854      4.796356
  N      -1.235510      3.917611      4.108207
  H      -1.543952      4.838834      4.429466
  H      -1.601257      3.779777      3.152316
  H      -0.222238      3.924956      4.052252
99
Coordinates from ORCA-job orca E -6652.855557095750
  N      -2.194180      3.347825      6.914351
  Mo     -2.268000      1.888223      5.547184
  N      -3.049237      0.441956      6.614438
  C      -2.206326     -0.230691      7.618426
  C      -1.092406      0.696744      8.089991
  N      -0.483926      1.378969      6.905628
  C       0.138809      2.691651      7.250324
  C      -0.956923      3.702034      7.615564
  C       0.476001      0.495285      6.182439
  C       0.393141      0.807131      4.692590
  N      -1.023481      0.900443      4.346084
  H      -0.607728      4.724656      7.369132
  H      -1.147846      3.695198      8.703987
  H       0.685251      3.016651      6.361133
  H       0.865200      2.570354      8.069094
  H       0.888911      0.009282      4.119568
  H       0.934459      1.745017      4.466292
  H       0.161529     -0.542018      6.345036
  H       1.490958      0.620966      6.589263
  H      -2.803332     -0.538954      8.491307
  H      -1.788753     -1.157720      7.181728
  H      -1.514708      1.474342      8.736200
  H      -0.318856      0.151802      8.655889
  C      -3.423151      3.841392      7.543163
  C      -3.893562      5.176850      6.982702
  O      -4.566167      4.928417      5.719978
  C      -4.114539      5.544228      4.610582
  O      -3.143216      6.275449      4.570390
  C      -4.969413      5.188816      3.416451
  N      -6.151082      4.651403      3.691224
  C      -6.952392      4.335764      2.646046
  N      -6.683110      4.501126      1.364273
  C      -5.470271      5.043007      1.059882
  C      -5.137813      5.221982     -0.304915
  C      -3.916943      5.754329     -0.652742
  C      -2.989983      6.128539      0.350862
  C      -3.282700      5.970373      1.686455
  C      -4.531925      5.425563      2.080466
  C      -1.482873      0.231550      3.128567
  C      -1.721510      1.147732      1.926521
  O      -2.744042      2.174733      2.148935
  C      -3.828110      1.790922      2.883261
  O      -3.727003      1.840208      4.169921
  C      -5.053876      1.339633      2.281000
  N      -5.957387      0.871756      3.167924
  C      -7.111760      0.390737      2.684200
  N      -7.504079      0.339551      1.416742
  C      -6.620320      0.828178      0.499545
  C      -7.004650      0.806902     -0.861504
  C      -6.154863      1.291147     -1.829737
  C      -4.899137      1.818773     -1.470248
  C      -4.494432      1.857918     -0.147718
  C      -5.333476      1.357769      0.871705
  C      -4.304348     -0.277765      6.354870
  C      -5.384613     -0.026965      7.401806
  O      -5.932326      1.308183      7.256264
  C      -7.144073      1.387744      6.661454
  O      -7.765522      0.422833      6.258481
  C      -7.638312      2.815953      6.590016
  N      -7.060747      3.681410      7.409271
  C      -7.506045      4.963924      7.375583
  N      -8.429923      5.470009      6.596046
  C      -9.029828      4.599234      5.736372
  C     -10.017774      5.101326      4.846918
  C     -10.657510      4.246779      3.968779
  C     -10.336585      2.863884      3.955235
  C      -9.373731      2.346415      4.797822
  C      -8.685779      3.200650      5.701629
  H      -3.260834      3.954932      8.636326
  H      -4.247682      3.115145      7.416037
  H      -3.066553      5.890821      6.836537
  H      -4.655302      5.612769      7.651157
  H      -7.926278      3.897349      2.909004
  H      -5.871046      4.911984     -1.055561
  H      -3.655686      5.886689     -1.710488
  H      -2.028603      6.551090      0.057172
  H      -2.573235      6.281166      2.445351
  H      -2.413380     -0.326520      3.331388
  H      -0.739823     -0.520426      2.813104
  H      -2.023719      0.532167      1.060588
  H      -0.822469      1.720735      1.663841
  H      -7.806495     -0.014709      3.434946
  H      -7.985826      0.401307     -1.101543
  H      -6.458710      1.264147     -2.883545
  H      -4.240545      2.215416     -2.242362
  H      -3.536917      2.302091      0.108529
  H      -4.701264      0.013672      5.370924
  H      -4.099744     -1.364201      6.326013
  H      -6.192011     -0.765068      7.290810
  H      -4.985055     -0.065022      8.427601
  H      -7.038473      5.648839      8.088200
  H     -10.246544      6.169850      4.886739
  H     -11.417254      4.633696      3.279231
  H     -10.853256      2.198028      3.261623
  H      -9.141442      1.282733      4.785886
  N      -1.233138      3.899644      4.099710
  H      -1.533162      4.826438      4.417395
  H      -1.606236      3.758765      3.151679
  H      -0.215092      3.902839      4.033209
99
Coordinates from ORCA-job orca E -6652.854721210779
  N      -2.205036      3.356515      6.919428
  Mo     -2.278284      1.898063      5.550988
  N      -3.049654      0.444076      6.614319
  C      -2.199565     -0.228767      7.612591
  C      -1.088469      0.705827      8.085656
  N      -0.486300      1.397649      6.904575
  C       0.128605      2.714798      7.242311
  C      -0.978894      3.709542      7.614013
  C       0.475787      0.521501      6.169948
  C       0.380971      0.836061      4.682059
  N      -1.032045      0.908753      4.343092
  H      -0.648415      4.733372      7.380304
  H      -1.167689      3.687623      8.703452
  H       0.665620      3.052364      6.343455
  H       0.865804      2.603465      8.054761
  H       0.883284      0.045369      4.099126
  H       0.903664      1.781518      4.455240
  H       0.177395     -0.519419      6.334832
  H       1.490964      0.660133      6.565141
  H      -2.795051     -0.541309      8.486627
  H      -1.782279     -1.157388      7.168352
  H      -1.512649      1.483051      8.737888
  H      -0.311493      0.159004      8.648705
  C      -3.421875      3.846180      7.560133
  C      -3.912619      5.179507      6.999583
  O      -4.583259      4.921866      5.741895
  C      -4.127842      5.504029      4.644008
  O      -3.144150      6.241619      4.614471
  C      -4.981358      5.143831      3.440432
  N      -6.163784      4.621110      3.714094
  C      -6.966503      4.318238      2.665055
  N      -6.703977      4.487169      1.382655
  C      -5.490226      5.014736      1.080800
  C      -5.162565      5.197949     -0.285513
  C      -3.936659      5.710119     -0.637462
  C      -2.991453      6.055149      0.356928
  C      -3.282401      5.900128      1.697201
  C      -4.540808      5.374475      2.098695
  C      -1.475368      0.233125      3.127586
  C      -1.725018      1.144763      1.926382
  O      -2.762636      2.164290      2.139401
  C      -3.839533      1.789398      2.873402
  O      -3.741068      1.842654      4.166257
  C      -5.060476      1.345777      2.257256
  N      -5.979728      0.884193      3.136757
  C      -7.132169      0.403824      2.635139
  N      -7.505292      0.347254      1.365461
  C      -6.610410      0.827537      0.453851
  C      -6.982433      0.797339     -0.920084
  C      -6.122382      1.275021     -1.888832
  C      -4.868077      1.801960     -1.519188
  C      -4.480528      1.837327     -0.195262
  C      -5.329701      1.347222      0.830153
  C      -4.303470     -0.273681      6.360340
  C      -5.376882     -0.016564      7.411418
  O      -5.925797      1.314821      7.258807
  C      -7.151621      1.392208      6.681072
  O      -7.787142      0.430339      6.289948
  C      -7.635541      2.820815      6.614244
  N      -7.062824      3.670042      7.458519
  C      -7.502339      4.950558      7.433304
  N      -8.413758      5.469390      6.625542
  C      -9.010398      4.613569      5.747966
  C      -9.997230      5.123997      4.871235
  C     -10.638705      4.286080      3.991180
  C     -10.316704      2.912861      3.946451
  C      -9.357767      2.385552      4.786437
  C      -8.673046      3.220109      5.709753
  H      -3.246270      3.963850      8.639532
  H      -4.233368      3.114540      7.450532
  H      -3.094398      5.902937      6.848819
  H      -4.675657      5.611863      7.669919
  H      -7.927432      3.881749      2.912922
  H      -5.908313      4.915007     -1.027564
  H      -3.686912      5.853483     -1.686785
  H      -2.019986      6.463789      0.057206
  H      -2.560741      6.196417      2.452293
  H      -2.397974     -0.338428      3.331171
  H      -0.720456     -0.509068      2.808534
  H      -2.029443      0.521004      1.069437
  H      -0.824354      1.723578      1.654588
  H      -7.839212      0.019312      3.363761
  H      -7.962737      0.396187     -1.167431
  H      -6.411409      1.255102     -2.941120
  H      -4.197575      2.200146     -2.287652
  H      -3.518424      2.286421      0.070254
  H      -4.701475      0.016533      5.377943
  H      -4.101250     -1.360716      6.334753
  H      -6.181848     -0.754616      7.314406
  H      -4.971858     -0.047012      8.428636
  H      -7.031888      5.627551      8.135978
  H     -10.226585      6.185516      4.932448
  H     -11.399918      4.678081      3.327727
  H     -10.831733      2.261162      3.237827
  H      -9.127906      1.327951      4.761434
  N      -1.229485      3.903758      4.116077
  H      -1.526339      4.837912      4.412528
  H      -1.598652      3.739652      3.187902
  H      -0.203263      3.900525      4.049217
99
Coordinates from ORCA-job orca E -6652.856052262144
  N      -2.198602      3.345128      6.913855
  Mo     -2.268263      1.887821      5.545902
  N      -3.054064      0.440617      6.609776
  C      -2.214543     -0.230007      7.616299
  C      -1.107667      0.702400      8.094251
  N      -0.491449      1.385373      6.914794
  C       0.129710      2.698494      7.255190
  C      -0.969018      3.698362      7.615267
  C       0.472281      0.503460      6.193711
  C       0.395764      0.817425      4.701219
  N      -1.017308      0.899596      4.350854
  H      -0.621938      4.723663      7.376232
  H      -1.168104      3.684150      8.704139
  H       0.678054      3.030525      6.361530
  H       0.856395      2.583819      8.073500
  H       0.897941      0.024740      4.124172
  H       0.930384      1.759213      4.475981
  H       0.159606     -0.535202      6.355883
  H       1.486052      0.633759      6.603428
  H      -2.816965     -0.540887      8.487230
  H      -1.792860     -1.156422      7.179326
  H      -1.535546      1.480022      8.736304
  H      -0.340384      0.160068      8.665816
  C      -3.424413      3.841458      7.542561
  C      -3.894374      5.174529      6.976106
  O      -4.572544      4.923803      5.724595
  C      -4.126611      5.531104      4.614160
  O      -3.150379      6.271033      4.569810
  C      -4.985913      5.171529      3.421363
  N      -6.169363      4.638975      3.698348
  C      -6.977621      4.327384      2.655285
  N      -6.715602      4.492603      1.373504
  C      -5.498438      5.024630      1.062975
  C      -5.170891      5.202810     -0.306763
  C      -3.946897      5.721189     -0.663262
  C      -3.007330      6.078156      0.332227
  C      -3.297197      5.927950      1.676493
  C      -4.550052      5.397692      2.079121
  C      -1.464880      0.222594      3.133943
  C      -1.698199      1.134821      1.929863
  O      -2.716418      2.166411      2.139301
  C      -3.806155      1.794044      2.871590
  O      -3.711621      1.835914      4.158306
  C      -5.034896      1.352565      2.263653
  N      -5.949509      0.895571      3.149117
  C      -7.105765      0.431090      2.662833
  N      -7.493731      0.381688      1.392341
  C      -6.603935      0.850318      0.470287
  C      -6.984921      0.830939     -0.893889
  C      -6.128370      1.295787     -1.867484
  C      -4.863741      1.812197     -1.500650
  C      -4.463723      1.849219     -0.176481
  C      -5.312544      1.362831      0.843938
  C      -4.308472     -0.275898      6.350979
  C      -5.380545     -0.023755      7.401397
  O      -5.924445      1.309095      7.259343
  C      -7.140644      1.390127      6.665728
  O      -7.765876      0.428018      6.257823
  C      -7.632556      2.816878      6.603989
  N      -7.052150      3.675057      7.431575
  C      -7.495440      4.956940      7.403200
  N      -8.419044      5.469006      6.613606
  C      -9.023585      4.604275      5.752980
  C     -10.019294      5.109006      4.884881
  C     -10.665667      4.261624      4.010320
  C     -10.343150      2.882553      3.976708
  C      -9.375848      2.360425      4.813518
  C      -8.682797      3.206853      5.719428
  H      -3.258087      3.960701      8.628369
  H      -4.246478      3.116336      7.423730
  H      -3.072502      5.878326      6.816587
  H      -4.640487      5.618685      7.640729
  H      -7.944646      3.887248      2.911565
  H      -5.916603      4.915449     -1.043278
  H      -3.699339      5.864038     -1.712204
  H      -2.046493      6.494915      0.034833
  H      -2.581714      6.234655      2.435674
  H      -2.396287     -0.338706      3.334575
  H      -0.718828     -0.528220      2.822038
  H      -2.006135      0.519631      1.067731
  H      -0.797063      1.699701      1.668680
  H      -7.807809      0.044884      3.406260
  H      -7.973872      0.435825     -1.137467
  H      -6.422583      1.281711     -2.911898
  H      -4.196653      2.200115     -2.270254
  H      -3.501468      2.281484      0.080916
  H      -4.708653      0.016630      5.371580
  H      -4.105951     -1.360272      6.321601
  H      -6.189046     -0.756528      7.297036
  H      -4.974724     -0.063821      8.419514
  H      -7.024312      5.638424      8.117926
  H     -10.248423      6.174906      4.936738
  H     -11.431560      4.650896      3.338431
  H     -10.862707      2.223017      3.273098
  H      -9.142022      1.299859      4.790208
  N      -1.228053      3.900244      4.099128
  H      -1.535518      4.826398      4.411160
  H      -1.593974      3.752361      3.153011
  H      -0.210050      3.907826      4.040284
99
Coordinates from ORCA-job orca E -6652.855170683585
  N      -2.195886      3.351336      6.922787
  Mo     -2.269627      1.896170      5.549805
  N      -3.043938      0.438491      6.608022
  C      -2.197473     -0.245305      7.603271
  C      -1.086817      0.681568      8.083768
  N      -0.483025      1.377127      6.905610
  C       0.136516      2.689565      7.261391
  C      -0.961853      3.695129      7.632682
  C       0.475732      0.499448      6.173016
  C       0.393156      0.832175      4.683555
  N      -1.024932      0.920738      4.330275
  H      -0.617639      4.716441      7.399802
  H      -1.147787      3.674569      8.721446
  H       0.681820      3.022330      6.372806
  H       0.867153      2.566286      8.081666
  H       0.893065      0.041005      4.101984
  H       0.933407      1.779907      4.468446
  H       0.159847     -0.544472      6.325520
  H       1.494966      0.621740      6.584256
  H      -2.793875     -0.565696      8.474201
  H      -1.777442     -1.167736      7.153731
  H      -1.511267      1.453147      8.738781
  H      -0.310843      0.131022      8.644545
  C      -3.423298      3.840340      7.553738
  C      -3.909031      5.170283      6.988124
  O      -4.583970      4.908711      5.730851
  C      -4.130624      5.538325      4.622826
  O      -3.160249      6.274301      4.587089
  C      -4.976679      5.185100      3.420203
  N      -6.159662      4.647995      3.688878
  C      -6.952846      4.332720      2.637704
  N      -6.675746      4.492821      1.354359
  C      -5.460985      5.032754      1.056106
  C      -5.121767      5.208220     -0.305184
  C      -3.897574      5.740544     -0.647031
  C      -2.974605      6.121703      0.359706
  C      -3.272249      5.965018      1.689292
  C      -4.527325      5.418133      2.080716
  C      -1.482106      0.257127      3.115347
  C      -1.734039      1.179604      1.922099
  O      -2.771830      2.191999      2.150545
  C      -3.845932      1.797120      2.883704
  O      -3.739235      1.854701      4.171541
  C      -5.069384      1.328103      2.279833
  N      -5.968398      0.855096      3.174013
  C      -7.119879      0.358088      2.689309
  N      -7.509708      0.294193      1.421488
  C      -6.630544      0.792352      0.500968
  C      -7.010126      0.762924     -0.855120
  C      -6.167516      1.254161     -1.832913
  C      -4.920029      1.799803     -1.482607
  C      -4.515186      1.850080     -0.158500
  C      -5.348712      1.340228      0.867976
  C      -4.302955     -0.272927      6.345716
  C      -5.379247     -0.020796      7.398051
  O      -5.925499      1.317060      7.250532
  C      -7.145470      1.399167      6.666899
  O      -7.778495      0.436070      6.272141
  C      -7.634899      2.828216      6.597126
  N      -7.066708      3.683385      7.437886
  C      -7.511345      4.962536      7.408979
  N      -8.425439      5.473258      6.613663
  C      -9.015111      4.612921      5.732688
  C      -9.994740      5.118919      4.834895
  C     -10.628598      4.273001      3.952868
  C     -10.307761      2.895933      3.938414
  C      -9.351285      2.375628      4.781581
  C      -8.671389      3.219777      5.693846
  H      -3.260258      3.960477      8.643351
  H      -4.241602      3.106477      7.430242
  H      -3.088799      5.888982      6.835671
  H      -4.675022      5.608278      7.655151
  H      -7.924266      3.897629      2.892183
  H      -5.850461      4.893550     -1.060143
  H      -3.627153      5.864924     -1.706857
  H      -2.009879      6.546681      0.069949
  H      -2.566596      6.285785      2.451942
  H      -2.406047     -0.305205      3.317745
  H      -0.733953     -0.488963      2.793225
  H      -2.028971      0.566023      1.052245
  H      -0.840126      1.765101      1.659941
  H      -7.810390     -0.045815      3.441864
  H      -7.985765      0.341629     -1.090628
  H      -6.474719      1.213386     -2.892917
  H      -4.267586      2.199618     -2.262668
  H      -3.563398      2.305802      0.090337
  H      -4.699070      0.031556      5.360820
  H      -4.106296     -1.365613      6.307923
  H      -6.187716     -0.758663      7.290904
  H      -4.976850     -0.059072      8.423090
  H      -7.056870      5.638902      8.156026
  H     -10.223653      6.182744      4.877346
  H     -11.382846      4.663002      3.260002
  H     -10.820540      2.237087      3.248766
  H      -9.120860      1.315112      4.772707
  N      -1.240793      3.913783      4.116786
  H      -1.540883      4.840016      4.429986
  H      -1.610251      3.767347      3.169757
  H      -0.221577      3.913630      4.053171
99
Coordinates from ORCA-job orca E -6652.856280717041
  N      -2.200414      3.347725      6.916953
  Mo     -2.269707      1.890596      5.548474
  N      -3.050961      0.441209      6.611210
  C      -2.209761     -0.232123      7.615477
  C      -1.100102      0.698530      8.092370
  N      -0.488964      1.384874      6.912208
  C       0.131135      2.698164      7.256105
  C      -0.968883      3.701693      7.619036
  C       0.473771      0.504689      6.187582
  C       0.393569      0.820959      4.697354
  N      -1.020518      0.905835      4.347753
  H      -0.623391      4.724324      7.378150
  H      -1.162738      3.689635      8.706872
  H       0.678308      3.028820      6.362693
  H       0.860370      2.580345      8.075611
  H       0.894284      0.027506      4.120546
  H       0.928993      1.762772      4.473759
  H       0.162833     -0.534519      6.348558
  H       1.488057      0.634350      6.595180
  H      -2.809850     -0.543300      8.486518
  H      -1.790002     -1.158603      7.176928
  H      -1.525795      1.475125      8.738783
  H      -0.328869      0.153390      8.660240
  C      -3.426789      3.841727      7.546066
  C      -3.901416      5.172454      6.977253
  O      -4.575559      4.917579      5.721479
  C      -4.127965      5.528368      4.613270
  O      -3.153584      6.266834      4.572454
  C      -4.984057      5.170657      3.418751
  N      -6.166864      4.641505      3.696951
  C      -6.971013      4.330375      2.651858
  N      -6.706399      4.493370      1.368372
  C      -5.491776      5.026154      1.060095
  C      -5.163889      5.205198     -0.305866
  C      -3.939091      5.725356     -0.659244
  C      -3.001033      6.086267      0.337455
  C      -3.291471      5.932948      1.676815
  C      -4.546227      5.400003      2.077587
  C      -1.469710      0.233381      3.130755
  C      -1.707750      1.148064      1.929283
  O      -2.733806      2.172342      2.143315
  C      -3.819120      1.791927      2.874826
  O      -3.721778      1.839908      4.163381
  C      -5.044829      1.345430      2.266065
  N      -5.956542      0.883066      3.151921
  C      -7.112088      0.409251      2.662809
  N      -7.497284      0.360120      1.394936
  C      -6.607861      0.838662      0.475717
  C      -6.989964      0.810563     -0.893907
  C      -6.132352      1.287540     -1.861770
  C      -4.873264      1.809581     -1.497323
  C      -4.475514      1.846152     -0.174883
  C      -5.320099      1.358127      0.849025
  C      -4.305793     -0.276321      6.349325
  C      -5.382552     -0.028314      7.400130
  O      -5.927468      1.307105      7.260033
  C      -7.143346      1.391075      6.668636
  O      -7.770469      0.429969      6.262550
  C      -7.633276      2.818918      6.606594
  N      -7.054758      3.674971      7.438333
  C      -7.496767      4.956358      7.410917
  N      -8.417478      5.469605      6.621068
  C      -9.019527      4.607735      5.753278
  C     -10.010201      5.114977      4.874724
  C     -10.655179      4.269390      3.998729
  C     -10.335185      2.890841      3.969834
  C      -9.370533      2.367771      4.804856
  C      -8.679287      3.211710      5.714328
  H      -3.260704      3.962482      8.633423
  H      -4.247182      3.113921      7.427456
  H      -3.079376      5.881485      6.821633
  H      -4.655933      5.614315      7.641373
  H      -7.940262      3.896178      2.911557
  H      -5.905322      4.908785     -1.049736
  H      -3.685427      5.861717     -1.712607
  H      -2.036038      6.501521      0.039521
  H      -2.575775      6.239393      2.434370
  H      -2.398194     -0.329062      3.331508
  H      -0.722053     -0.515015      2.816627
  H      -2.009608      0.532129      1.065853
  H      -0.808240      1.720080      1.667934
  H      -7.812569      0.017339      3.408672
  H      -7.974376      0.409791     -1.137381
  H      -6.427364      1.268407     -2.909677
  H      -4.207363      2.202084     -2.267020
  H      -3.515054      2.284560      0.083009
  H      -4.703109      0.021160      5.366544
  H      -4.103749     -1.364194      6.315370
  H      -6.190583     -0.764131      7.290052
  H      -4.980747     -0.070965      8.422349
  H      -7.027205      5.635628      8.126725
  H     -10.238168      6.180094      4.926006
  H     -11.418437      4.659673      3.324557
  H     -10.855179      2.232425      3.274209
  H      -9.140105      1.306721      4.786096
  N      -1.227658      3.903340      4.106716
  H      -1.528920      4.831175      4.418162
  H      -1.596202      3.756514      3.162977
  H      -0.207657      3.905630      4.044206
99
Coordinates from ORCA-job orca E -6652.855948662027
  N      -2.199087      3.350463      6.913330
  Mo     -2.272270      1.892048      5.545935
  N      -3.052406      0.441471      6.609760
  C      -2.208925     -0.229991      7.612888
  C      -1.100742      0.702873      8.088590
  N      -0.490279      1.388049      6.908043
  C       0.130653      2.702088      7.247575
  C      -0.968748      3.700624      7.613116
  C       0.471139      0.506449      6.182717
  C       0.389928      0.824021      4.691190
  N      -1.024039      0.904578      4.342233
  H      -0.626928      4.725666      7.376362
  H      -1.161136      3.682387      8.703710
  H       0.674049      3.034837      6.353113
  H       0.861593      2.588660      8.062843
  H       0.891644      0.031932      4.112187
  H       0.923644      1.768084      4.466746
  H       0.158702     -0.533993      6.343968
  H       1.487173      0.635986      6.590545
  H      -2.808960     -0.542012      8.484982
  H      -1.788087     -1.156446      7.173170
  H      -1.527045      1.480074      8.733898
  H      -0.329891      0.159191      8.656632
  C      -3.420968      3.842209      7.549070
  C      -3.899105      5.178543      6.991499
  O      -4.575999      4.929342      5.736745
  C      -4.124188      5.530059      4.630698
  O      -3.145961      6.266800      4.592306
  C      -4.978827      5.170301      3.432654
  N      -6.161079      4.634997      3.704770
  C      -6.964688      4.323005      2.659082
  N      -6.699736      4.490149      1.378803
  C      -5.483515      5.024079      1.073115
  C      -5.151300      5.201056     -0.296100
  C      -3.928165      5.722698     -0.648599
  C      -2.992637      6.083843      0.349689
  C      -3.286529      5.933931      1.692625
  C      -4.539194      5.399161      2.091993
  C      -1.472919      0.230576      3.125782
  C      -1.714566      1.145296      1.924827
  O      -2.740804      2.170964      2.139005
  C      -3.824292      1.793959      2.873139
  O      -3.725293      1.843195      4.161074
  C      -5.051861      1.342148      2.264600
  N      -5.962535      0.882445      3.150567
  C      -7.114545      0.407231      2.662390
  N      -7.502051      0.345143      1.389333
  C      -6.615065      0.822585      0.471518
  C      -6.989231      0.807536     -0.882428
  C      -6.139426      1.278488     -1.861132
  C      -4.881480      1.807115     -1.499259
  C      -4.480088      1.852133     -0.171817
  C      -5.327720      1.350430      0.846052
  C      -4.306606     -0.274716      6.353406
  C      -5.378126     -0.019350      7.403688
  O      -5.924925      1.312368      7.255045
  C      -7.145838      1.389869      6.668832
  O      -7.775336      0.426687      6.270387
  C      -7.634851      2.817899      6.600843
  N      -7.059414      3.674207      7.434361
  C      -7.501382      4.956413      7.404847
  N      -8.418772      5.470160      6.608024
  C      -9.017844      4.607317      5.740709
  C     -10.007123      5.114040      4.865645
  C     -10.648610      4.268654      3.987464
  C     -10.326707      2.889967      3.954746
  C      -9.365667      2.366067      4.797649
  C      -8.678353      3.210093      5.708509
  H      -3.251661      3.956059      8.633878
  H      -4.240140      3.114735      7.429621
  H      -3.078362      5.892351      6.838065
  H      -4.653243      5.614603      7.661291
  H      -7.930621      3.881644      2.911717
  H      -5.894072      4.911181     -1.034721
  H      -3.678676      5.866967     -1.695033
  H      -2.031020      6.503751      0.055267
  H      -2.573874      6.244638      2.453443
  H      -2.401085     -0.333574      3.327494
  H      -0.724846     -0.518027      2.808981
  H      -2.020268      0.529149      1.061906
  H      -0.815817      1.717169      1.660660
  H      -7.813712      0.020346      3.402153
  H      -7.973343      0.402997     -1.124066
  H      -6.439391      1.252128     -2.915317
  H      -4.219324      2.200375     -2.274035
  H      -3.521950      2.294864      0.083505
  H      -4.706543      0.016451      5.373540
  H      -4.104343     -1.359505      6.326216
  H      -6.185139     -0.753814      7.304461
  H      -4.971384     -0.053372      8.420881
  H      -7.034788      5.636208      8.125434
  H     -10.235721      6.179794      4.916472
  H     -11.409390      4.659621      3.310755
  H     -10.841847      2.232139      3.247035
  H      -9.133079      1.305492      4.776026
  N      -1.233735      3.903429      4.102476
  H      -1.539404      4.830993      4.412139
  H      -1.602633      3.750518      3.159806
  H      -0.215362      3.908434      4.039882
99
Coordinates from ORCA-job orca E -6652.856335997931
  N      -2.198204      3.348338      6.917829
  Mo     -2.270281      1.891826      5.547666
  N      -3.050564      0.440560      6.609952
  C      -2.206849     -0.234726      7.611319
  C      -1.097955      0.696008      8.089072
  N      -0.487653      1.384071      6.909587
  C       0.132224      2.697437      7.254488
  C      -0.967649      3.698575      7.620426
  C       0.474126      0.504255      6.182836
  C       0.392289      0.823780      4.691796
  N      -1.022616      0.906890      4.343304
  H      -0.623752      4.722748      7.384183
  H      -1.161797      3.681045      8.709262
  H       0.677834      3.030528      6.361864
  H       0.861462      2.580174      8.072251
  H       0.893305      0.031767      4.112305
  H       0.926922      1.767726      4.469069
  H       0.162683     -0.536303      6.342677
  H       1.489868      0.633368      6.590414
  H      -2.805897     -0.549121      8.482908
  H      -1.786418     -1.159933      7.168959
  H      -1.524053      1.471595      8.736599
  H      -0.326480      0.150607      8.655869
  C      -3.423532      3.842043      7.548460
  C      -3.900484      5.174596      6.983468
  O      -4.576184      4.920390      5.728690
  C      -4.126515      5.530477      4.621277
  O      -3.151139      6.268395      4.581850
  C      -4.980623      5.172934      3.423926
  N      -6.163575      4.639699      3.697157
  C      -6.965834      4.327860      2.650152
  N      -6.698638      4.492637      1.368117
  C      -5.483102      5.027814      1.063611
  C      -5.151521      5.206856     -0.302840
  C      -3.927503      5.729873     -0.653110
  C      -2.992998      6.092593      0.346563
  C      -3.285680      5.938245      1.685148
  C      -4.539758      5.402800      2.083188
  C      -1.473507      0.234216      3.127120
  C      -1.714497      1.149438      1.926462
  O      -2.740725      2.174026      2.143006
  C      -3.823522      1.794492      2.876660
  O      -3.724527      1.842028      4.164077
  C      -5.048948      1.344400      2.270254
  N      -5.958595      0.879828      3.157609
  C      -7.112937      0.401976      2.670769
  N      -7.500217      0.348308      1.402022
  C      -6.614023      0.828919      0.481227
  C      -6.995577      0.803320     -0.883594
  C      -6.143558      1.279421     -1.857194
  C      -4.885507      1.807351     -1.494856
  C      -4.485031      1.847506     -0.171560
  C      -5.327504      1.353579      0.852082
  C      -4.306768     -0.274387      6.351776
  C      -5.380037     -0.020304      7.402850
  O      -5.925180      1.313750      7.256514
  C      -7.142799      1.393962      6.666721
  O      -7.770807      0.431065      6.265119
  C      -7.633566      2.821332      6.600825
  N      -7.058659      3.678266      7.434137
  C      -7.502676      4.958680      7.405773
  N      -8.422214      5.469992      6.612935
  C      -9.020326      4.606979      5.743988
  C     -10.010017      5.111698      4.864968
  C     -10.650640      4.265344      3.986628
  C     -10.327537      2.888049      3.957814
  C      -9.364734      2.366867      4.797820
  C      -8.677957      3.211830      5.708123
  H      -3.257251      3.960921      8.634758
  H      -4.243371      3.113797      7.428977
  H      -3.079114      5.885540      6.828244
  H      -4.655351      5.615036      7.649626
  H      -7.933396      3.888846      2.904249
  H      -5.891372      4.911213     -1.046861
  H      -3.671882      5.867314     -1.706047
  H      -2.029540      6.511132      0.051689
  H      -2.572672      6.246778      2.444963
  H      -2.401856     -0.328525      3.328976
  H      -0.726106     -0.514162      2.811089
  H      -2.018479      0.533475      1.062686
  H      -0.815414      1.722350      1.663340
  H      -7.811605      0.007746      3.415215
  H      -7.979100      0.398709     -1.124991
  H      -6.440722      1.258213     -2.905516
  H      -4.223068      2.201604     -2.266916
  H      -3.526118      2.289981      0.084358
  H      -4.705733      0.020459      5.370385
  H      -4.106264     -1.361387      6.321288
  H      -6.188242     -0.755518      7.299450
  H      -4.975026     -0.057448      8.423124
  H      -7.036932      5.638808      8.127682
  H     -10.239975      6.176127      4.914889
  H     -11.412285      4.654388      3.308554
  H     -10.843305      2.229153      3.257082
  H      -9.131498      1.307093      4.778591
  N      -1.232971      3.904822      4.106259
  H      -1.536502      4.832252      4.416831
  H      -1.600325      3.755946      3.162167
  H      -0.213503      3.908849      4.045113
99
Coordinates from ORCA-job orca E -6652.856255122612
  N      -2.196118      3.346705      6.917261
  Mo     -2.268287      1.888809      5.549084
  N      -3.049453      0.439224      6.612285
  C      -2.206532     -0.235232      7.614189
  C      -1.097243      0.695525      8.090843
  N      -0.486753      1.381759      6.910673
  C       0.134034      2.694919      7.253917
  C      -0.965054      3.697194      7.619518
  C       0.474428      0.500795      6.185090
  C       0.393087      0.818879      4.694338
  N      -1.021411      0.902391      4.345554
  H      -0.620540      4.720732      7.382115
  H      -1.158092      3.680955      8.708242
  H       0.679388      3.026490      6.360405
  H       0.864121      2.577746      8.071785
  H       0.893827      0.026106      4.116045
  H       0.928144      1.762144      4.471076
  H       0.162407     -0.539132      6.345782
  H       1.489964      0.629592      6.592588
  H      -2.805706     -0.548263      8.485790
  H      -1.786601     -1.160972      7.173104
  H      -1.522977      1.472089      8.737466
  H      -0.325846      0.150330      8.658312
  C      -3.421281      3.839725      7.548186
  C      -3.897911      5.172842      6.984557
  O      -4.574912      4.920943      5.729701
  C      -4.126694      5.533445      4.622737
  O      -3.151815      6.271505      4.583244
  C      -4.984693      5.181135      3.427100
  N      -6.167423      4.649585      3.703195
  C      -6.973355      4.342547      2.658089
  N      -6.710567      4.511685      1.375447
  C      -5.495594      5.045903      1.068252
  C      -5.169159      5.230087     -0.298383
  C      -3.945405      5.752332     -0.651292
  C      -3.006403      6.109727      0.346129
  C      -3.294573      5.950886      1.685161
  C      -4.548232      5.415625      2.085784
  C      -1.472444      0.229831      3.129928
  C      -1.712504      1.144680      1.928892
  O      -2.739382      2.168656      2.144417
  C      -3.822108      1.788500      2.878026
  O      -3.723060      1.838303      4.165779
  C      -5.047440      1.336774      2.271245
  N      -5.956781      0.872552      3.158628
  C      -7.110402      0.393251      2.671313
  N      -7.497310      0.338462      1.402527
  C      -6.611147      0.820001      0.482379
  C      -6.992184      0.794054     -0.882098
  C      -6.140164      1.271871     -1.855019
  C      -4.882846      1.800375     -1.493075
  C      -4.482695      1.840976     -0.169730
  C      -5.325215      1.346448      0.853795
  C      -4.305879     -0.275273      6.353715
  C      -5.380276     -0.019930      7.404023
  O      -5.924820      1.314489      7.256028
  C      -7.142126      1.394980      6.665689
  O      -7.770776      0.431963      6.265620
  C      -7.630859      2.822944      6.595255
  N      -7.053701      3.681980      7.424959
  C      -7.495192      4.963313      7.391806
  N      -8.414048      5.473607      6.597513
  C      -9.014552      4.608548      5.731960
  C     -10.003441      5.112236      4.850654
  C     -10.646324      4.263723      3.976159
  C     -10.325968      2.885432      3.952766
  C      -9.363442      2.365452      4.793315
  C      -8.674614      3.212452      5.700456
  H      -3.254749      3.957639      8.635036
  H      -4.241323      3.111697      7.428111
  H      -3.076271      5.883617      6.829801
  H      -4.652169      5.612713      7.651741
  H      -7.941532      3.905855      2.914998
  H      -5.912166      4.937926     -1.041139
  H      -3.693667      5.893505     -1.704168
  H      -2.042890      6.527584      0.049103
  H      -2.578165      6.255517      2.443469
  H      -2.400922     -0.332055      3.331834
  H      -0.725383     -0.519179      2.814476
  H      -2.015202      0.528614      1.065206
  H      -0.813601      1.717751      1.666380
  H      -7.808975      0.000003      3.416253
  H      -7.975066      0.388344     -1.123608
  H      -6.437527      1.249107     -2.904880
  H      -4.220371      2.194693     -2.265426
  H      -3.523968      2.283543      0.086218
  H      -4.703679      0.019533      5.371138
  H      -4.106162     -1.362994      6.323846
  H      -6.188799     -0.755207      7.300480
  H      -4.976312     -0.056282      8.424996
  H      -7.027096      5.645033      8.109533
  H     -10.231493      6.177483      4.896755
  H     -11.407743      4.651631      3.297527
  H     -10.843700      2.224978      3.256286
  H      -9.132630      1.304680      4.778438
  N      -1.231281      3.894932      4.108204
  H      -1.532929      4.823109      4.418063
  H      -1.599662      3.745683      3.164546
  H      -0.211748      3.897006      4.046113
99
Coordinates from ORCA-job orca E -6652.856305632478
  N      -2.197154      3.346293      6.917853
  Mo     -2.269137      1.888152      5.549730
  N      -3.050512      0.438607      6.613173
  C      -2.208245     -0.235732      7.615661
  C      -1.098529      0.694628      8.092763
  N      -0.487602      1.381355      6.912932
  C       0.133506      2.694236      7.256530
  C      -0.965735      3.696546      7.621116
  C       0.474250      0.500898      6.187571
  C       0.393159      0.817744      4.697174
  N      -1.021072      0.900904      4.347880
  H      -0.620156      4.720013      7.383876
  H      -1.159219      3.680690      8.709557
  H       0.679740      3.025835      6.362800
  H       0.863554      2.576680      8.075059
  H       0.894267      0.025087      4.119654
  H       0.927691      1.760312      4.473674
  H       0.162948     -0.538420      6.348456
  H       1.489096      0.630288      6.594766
  H      -2.807831     -0.548276      8.486648
  H      -1.788767     -1.161454      7.175219
  H      -1.524060      1.470987      8.739542
  H      -0.327428      0.149069      8.660101
  C      -3.421927      3.841151      7.548300
  C      -3.895252      5.174902      6.984059
  O      -4.573075      4.924763      5.729282
  C      -4.124942      5.534272      4.621448
  O      -3.149091      6.271212      4.580108
  C      -4.985226      5.181649      3.428021
  N      -6.167916      4.652918      3.707807
  C      -6.976095      4.345443      2.665180
  N      -6.716408      4.513599      1.381812
  C      -5.501610      5.045396      1.070810
  C      -5.178666      5.228837     -0.296832
  C      -3.954704      5.748037     -0.653642
  C      -3.012018      6.103313      0.340729
  C      -3.297902      5.946975      1.681713
  C      -4.551539      5.414304      2.085816
  C      -1.470137      0.228587      3.131154
  C      -1.708954      1.143600      1.930044
  O      -2.736713      2.166784      2.143587
  C      -3.820537      1.786207      2.876527
  O      -3.722474      1.837203      4.165042
  C      -5.046332      1.334824      2.268039
  N      -5.956368      0.871300      3.154058
  C      -7.109124      0.393220      2.665123
  N      -7.495434      0.339143      1.395674
  C      -6.608583      0.821284      0.477350
  C      -6.988435      0.798674     -0.886282
  C      -6.135714      1.278468     -1.857569
  C      -4.878330      1.805329     -1.494313
  C      -4.478850      1.843892     -0.170514
  C      -5.322784      1.347598      0.851160
  C      -4.307019     -0.276433      6.354902
  C      -5.381345     -0.022177      7.405994
  O      -5.926310      1.312108      7.259379
  C      -7.143546      1.393094      6.668674
  O      -7.771846      0.430424      6.267670
  C      -7.631050      2.821451      6.596628
  N      -7.050903      3.681618      7.423117
  C      -7.490051      4.964176      7.387165
  N      -8.409020      5.474779      6.592519
  C      -9.012896      4.608650      5.730448
  C     -10.002163      5.112674      4.849696
  C     -10.647816      4.263233      3.978120
  C     -10.329464      2.883778      3.956158
  C      -9.366337      2.363512      4.795769
  C      -8.675058      3.211274      5.701166
  H      -3.255252      3.958845      8.635530
  H      -4.243274      3.114901      7.428255
  H      -3.072373      5.883494      6.828873
  H      -4.647585      5.616130      7.650942
  H      -7.945090      3.911928      2.925451
  H      -5.924654      4.938679     -1.036850
  H      -3.707005      5.890111     -1.705031
  H      -2.048260      6.518952      0.040931
  H      -2.579064      6.250879      2.438316
  H      -2.398473     -0.333892      3.331804
  H      -0.722433     -0.520056      2.816220
  H      -2.009879      0.528057      1.066228
  H      -0.810577      1.716847      1.669223
  H      -7.808382      0.002176      3.409224
  H      -7.971334      0.393508     -1.129154
  H      -6.432761      1.256541     -2.909123
  H      -4.214896      2.200144     -2.265981
  H      -3.519733      2.284546      0.086707
  H      -4.705241      0.018677      5.372230
  H      -4.107057     -1.364246      6.324404
  H      -6.189779     -0.757586      7.302379
  H      -4.977064     -0.059043      8.426619
  H      -7.018150      5.646623      8.098675
  H     -10.228795      6.178904      4.894607
  H     -11.409923      4.650958      3.301364
  H     -10.849301      2.222884      3.261840
  H      -9.137345      1.301589      4.782304
  N      -1.226773      3.898333      4.104181
  H      -1.526499      4.826891      4.414830
  H      -1.596626      3.750038      3.161034
  H      -0.207335      3.898571      4.040766
99
Coordinates from ORCA-job orca E -6652.856056920454
  N      -2.215150      3.353745      6.920778
  Mo     -2.281096      1.903824      5.544039
  N      -3.056937      0.444835      6.598515
  C      -2.211446     -0.233243      7.596082
  C      -1.105902      0.698773      8.079642
  N      -0.497603      1.396119      6.904534
  C       0.117238      2.709796      7.257164
  C      -0.986423      3.705489      7.626690
  C       0.468422      0.524413      6.173672
  C       0.385688      0.849904      4.684586
  N      -1.029217      0.928934      4.336294
  H      -0.645083      4.731733      7.395105
  H      -1.181586      3.682902      8.715026
  H       0.662872      3.049356      6.366508
  H       0.846423      2.590521      8.075141
  H       0.890089      0.062593      4.101996
  H       0.916350      1.796491      4.466128
  H       0.161760     -0.517828      6.328444
  H       1.483098      0.656084      6.581823
  H      -2.809659     -0.554552      8.465399
  H      -1.787805     -1.154312      7.148863
  H      -1.534970      1.468892      8.731578
  H      -0.332644      0.152893      8.643431
  C      -3.443618      3.845514      7.546159
  C      -3.921695      5.172262      6.970238
  O      -4.583135      4.905485      5.710556
  C      -4.125805      5.507632      4.602466
  O      -3.154445      6.251143      4.566386
  C      -4.957857      5.123634      3.398050
  N      -6.133339      4.570011      3.661824
  C      -6.916355      4.234263      2.608038
  N      -6.638014      4.396604      1.328007
  C      -5.430386      4.954231      1.033416
  C      -5.089199      5.136492     -0.330110
  C      -3.871157      5.680029     -0.670232
  C      -2.952930      6.061866      0.337148
  C      -3.257233      5.908245      1.674010
  C      -4.505568      5.351838      2.061217
  C      -1.476588      0.259652      3.116914
  C      -1.720031      1.178558      1.919755
  O      -2.750103      2.198340      2.138998
  C      -3.832557      1.812763      2.871128
  O      -3.734025      1.856162      4.159266
  C      -5.057291      1.361163      2.262569
  N      -5.967734      0.897631      3.148925
  C      -7.119962      0.417095      2.660626
  N      -7.503682      0.357722      1.390912
  C      -6.616027      0.836893      0.471147
  C      -6.992460      0.802957     -0.894643
  C      -6.137063      1.275255     -1.867072
  C      -4.881278      1.806923     -1.503433
  C      -4.486334      1.856701     -0.178842
  C      -5.331826      1.366789      0.844367
  C      -4.311384     -0.271864      6.336221
  C      -5.383608     -0.032247      7.392170
  O      -5.929808      1.303243      7.264473
  C      -7.145153      1.392277      6.671203
  O      -7.770237      0.435766      6.250592
  C      -7.640712      2.819073      6.635799
  N      -7.069657      3.659564      7.488224
  C      -7.517901      4.939135      7.487205
  N      -8.439943      5.464439      6.706129
  C      -9.034540      4.618583      5.818188
  C     -10.026066      5.139372      4.950381
  C     -10.661519      4.310743      4.051646
  C     -10.331152      2.935768      3.989943
  C      -9.367246      2.399110      4.818589
  C      -8.685706      3.225754      5.750096
  H      -3.282082      3.969831      8.632860
  H      -4.260708      3.114442      7.426296
  H      -3.102607      5.885906      6.817530
  H      -4.684461      5.612520      7.626475
  H      -7.877735      3.777151      2.854825
  H      -5.817607      4.828406     -1.080156
  H      -3.608901      5.820978     -1.719882
  H      -1.994066      6.496564      0.050463
  H      -2.558306      6.233606      2.439970
  H      -2.402850     -0.307469      3.316019
  H      -0.726277     -0.484678      2.798274
  H      -2.020791      0.565195      1.053522
  H      -0.823157      1.755569      1.659887
  H      -7.819323      0.024950      3.405048
  H      -7.974181      0.394736     -1.137526
  H      -6.430233      1.246453     -2.916893
  H      -4.216240      2.197108     -2.275439
  H      -3.528621      2.301087      0.078068
  H      -4.712992      0.031609      5.358293
  H      -4.107846     -1.358063      6.294263
  H      -6.191235     -0.766979      7.280444
  H      -4.977356     -0.082120      8.411344
  H      -7.054190      5.604940      8.221758
  H     -10.261142      6.201528      5.025285
  H     -11.424353      4.712047      3.382850
  H     -10.842641      2.291109      3.273198
  H      -9.128835      1.340822      4.774439
  N      -1.249642      3.929698      4.112097
  H      -1.553312      4.854463      4.430406
  H      -1.620133      3.787109      3.168335
  H      -0.230379      3.935422      4.047482
99
Coordinates from ORCA-job orca E -6652.856328494108
  N      -2.195866      3.349715      6.916600
  Mo     -2.268765      1.892541      5.547346
  N      -3.050411      0.442331      6.609827
  C      -2.207592     -0.233026      7.611848
  C      -1.098166      0.697160      8.089510
  N      -0.487058      1.384060      6.909787
  C       0.133876      2.697040      7.254073
  C      -0.965124      3.699314      7.619352
  C       0.474276      0.503047      6.183792
  C       0.393009      0.821702      4.692635
  N      -1.021783      0.905873      4.343905
  H      -0.620154      4.722994      7.382647
  H      -1.159517      3.682553      8.708143
  H       0.679824      3.029082      6.361372
  H       0.862957      2.579435      8.071790
  H       0.893539      0.028831      4.113762
  H       0.928594      1.765153      4.469355
  H       0.161975     -0.537318      6.344278
  H       1.490126      0.631693      6.591508
  H      -2.807200     -0.546630      8.483428
  H      -1.787484     -1.158802      7.170146
  H      -1.523867      1.473396      8.736554
  H      -0.327216      0.151471      8.656729
  C      -3.420680      3.844445      7.547674
  C      -3.896200      5.178078      6.983979
  O      -4.574570      4.926113      5.730279
  C      -4.125519      5.535919      4.622456
  O      -3.146709      6.269210      4.581594
  C      -4.981653      5.180202      3.425803
  N      -6.167501      4.653595      3.700034
  C      -6.971364      4.344039      2.653578
  N      -6.702722      4.503868      1.371193
  C      -5.484430      5.032030      1.065635
  C      -5.151187      5.205150     -0.301049
  C      -3.924142      5.720572     -0.652227
  C      -2.988064      6.080865      0.346842
  C      -3.282054      5.931592      1.685742
  C      -4.539383      5.404509      2.084677
  C      -1.472667      0.233981      3.127281
  C      -1.712137      1.149626      1.926659
  O      -2.738429      2.174283      2.142324
  C      -3.821468      1.795014      2.875981
  O      -3.722569      1.843311      4.163424
  C      -5.047125      1.344302      2.270100
  N      -5.955055      0.878089      3.158302
  C      -7.109568      0.399421      2.672553
  N      -7.497734      0.345362      1.404100
  C      -6.613273      0.827991      0.482529
  C      -6.996415      0.802652     -0.882011
  C      -6.146165      1.281607     -1.855780
  C      -4.888917      1.811789     -1.494604
  C      -4.486659      1.850860     -0.171854
  C      -5.326798      1.354190      0.852424
  C      -4.306160     -0.272912      6.350277
  C      -5.380760     -0.019889      7.400266
  O      -5.926524      1.313883      7.254044
  C      -7.141933      1.393615      6.659635
  O      -7.767498      0.430467      6.254855
  C      -7.635394      2.820112      6.596565
  N      -7.062787      3.676518      7.431921
  C      -7.509734      4.955973      7.406183
  N      -8.431832      5.466358      6.615698
  C      -9.027956      4.603703      5.745076
  C     -10.020516      5.107528      4.868579
  C     -10.659160      4.261503      3.988586
  C     -10.331508      2.885338      3.955711
  C      -9.366383      2.364952      4.793365
  C      -8.681401      3.209746      5.705277
  H      -3.253726      3.962457      8.633890
  H      -4.241514      3.117246      7.428400
  H      -3.073804      5.887680      6.827693
  H      -4.649314      5.619532      7.651628
  H      -7.940237      3.908653      2.908748
  H      -5.892127      4.910979     -1.044679
  H      -3.667095      5.853612     -1.705816
  H      -2.021957      6.492601      0.051325
  H      -2.567464      6.237767      2.444941
  H      -2.401685     -0.327940      3.328580
  H      -0.725854     -0.515070      2.811488
  H      -2.015268      0.533922      1.062236
  H      -0.812492      1.722432      1.664714
  H      -7.806389      0.003055      3.417949
  H      -7.979571      0.396742     -1.122612
  H      -6.444787      1.261103     -2.903265
  H      -4.228463      2.208488     -2.266972
  H      -3.528416      2.295160      0.083389
  H      -4.704018      0.022118      5.368602
  H      -4.105425     -1.359832      6.319492
  H      -6.188365     -0.755528      7.295377
  H      -4.977104     -0.057326      8.421069
  H      -7.046127      5.635750      8.130288
  H     -10.253762      6.170939      4.921610
  H     -11.422823      4.650038      3.312273
  H     -10.845744      2.226466      3.253682
  H      -9.129664      1.306165      4.771143
  N      -1.227932      3.903456      4.104387
  H      -1.528030      4.831677      4.415855
  H      -1.597627      3.756082      3.160965
  H      -0.208599      3.904271      4.041184
99
Coordinates from ORCA-job orca E -6652.856274665647
  N      -2.200003      3.345360      6.921293
  Mo     -2.271170      1.888353      5.552276
  N      -3.049800      0.437137      6.615027
  C      -2.206023     -0.236920      7.616152
  C      -1.096717      0.694255      8.092639
  N      -0.488009      1.382725      6.912737
  C       0.131836      2.696057      7.256830
  C      -0.968221      3.696796      7.623659
  C       0.474198      0.504223      6.185603
  C       0.391240      0.822283      4.695814
  N      -1.023312      0.904144      4.348016
  H      -0.624076      4.720789      7.386763
  H      -1.160231      3.679940      8.712201
  H       0.676598      3.029033      6.362599
  H       0.863265      2.578487      8.074475
  H       0.892768      0.030840      4.117176
  H       0.924390      1.765585      4.472788
  H       0.164465     -0.535482      6.345833
  H       1.489163      0.634525      6.591817
  H      -2.804341     -0.550501      8.487466
  H      -1.786135     -1.161918      7.174861
  H      -1.522328      1.469577      8.740601
  H      -0.324263      0.149055      8.658600
  C      -3.425108      3.838381      7.552465
  C      -3.901101      5.170660      6.987210
  O      -4.577016      4.917713      5.731884
  C      -4.129271      5.527134      4.623741
  O      -3.160016      6.272634      4.583844
  C      -4.986806      5.169749      3.430041
  N      -6.166962      4.635562      3.709638
  C      -6.971023      4.319725      2.666517
  N      -6.709916      4.485237      1.382996
  C      -5.497618      5.022572      1.072369
  C      -5.172470      5.201697     -0.295150
  C      -3.950679      5.726546     -0.651379
  C      -3.012330      6.091536      0.343550
  C      -3.300380      5.938978      1.684535
  C      -4.552006      5.400876      2.088002
  C      -1.472414      0.234634      3.129897
  C      -1.713005      1.152430      1.931220
  O      -2.742765      2.172961      2.147477
  C      -3.825138      1.788199      2.880466
  O      -3.725853      1.837229      4.169095
  C      -5.051091      1.336520      2.271931
  N      -5.958136      0.866166      3.157202
  C      -7.110674      0.388007      2.667695
  N      -7.499827      0.341319      1.398863
  C      -6.616219      0.831671      0.481818
  C      -6.999800      0.818718     -0.880863
  C      -6.150832      1.308973     -1.850299
  C      -4.893814      1.835825     -1.486630
  C      -4.490440      1.864146     -0.163815
  C      -5.330524      1.358172      0.856248
  C      -4.306557     -0.277960      6.358104
  C      -5.379676     -0.022943      7.410490
  O      -5.923682      1.311871      7.264101
  C      -7.141109      1.393905      6.673982
  O      -7.769579      0.431812      6.271946
  C      -7.622614      2.823826      6.591694
  N      -7.038682      3.687552      7.411852
  C      -7.472390      4.971730      7.366587
  N      -8.388729      5.480665      6.567814
  C      -8.996289      4.610958      5.711861
  C      -9.983293      5.113059      4.827111
  C     -10.632841      4.260104      3.961950
  C     -10.320452      2.879057      3.950033
  C      -9.359104      2.360706      4.792633
  C      -8.664338      3.211903      5.692350
  H      -3.258018      3.957001      8.639733
  H      -4.245271      3.110583      7.433272
  H      -3.079734      5.880931      6.832044
  H      -4.654925      5.610520      7.653144
  H      -7.938910      3.883653      2.926935
  H      -5.914270      4.902144     -1.035840
  H      -3.701207      5.865123     -1.702581
  H      -2.049983      6.511140      0.044173
  H      -2.584803      6.249782      2.441479
  H      -2.399899     -0.329328      3.329715
  H      -0.724098     -0.512400      2.812614
  H      -2.012667      0.538716      1.065882
  H      -0.815815      1.727987      1.671885
  H      -7.807669     -0.007864      3.411349
  H      -7.982405      0.413239     -1.124172
  H      -6.451125      1.294450     -2.901615
  H      -4.233512      2.238464     -2.257058
  H      -3.531555      2.304794      0.094308
  H      -4.705791      0.017351      5.375610
  H      -4.106982     -1.366077      6.327365
  H      -6.188772     -0.757958      7.307878
  H      -4.974355     -0.059719      8.430805
  H      -6.997096      5.657332      8.072139
  H     -10.205426      6.180643      4.864505
  H     -11.393532      4.646210      3.282871
  H     -10.843285      2.215411      3.261144
  H      -9.134643      1.297597      4.786800
  N      -1.232799      3.899580      4.108198
  H      -1.532033      4.827662      4.420642
  H      -1.604801      3.752465      3.165716
  H      -0.213457      3.899886      4.042391
99
Coordinates from ORCA-job orca E -6652.856280815442
  N      -2.212740      3.347396      6.912921
  Mo     -2.279278      1.888864      5.545319
  N      -3.054779      0.436540      6.608974
  C      -2.209074     -0.235718      7.609937
  C      -1.102858      0.698731      8.087046
  N      -0.495475      1.388922      6.907431
  C       0.119917      2.704286      7.252052
  C      -0.983419      3.701942      7.617177
  C       0.469982      0.512849      6.181384
  C       0.386619      0.829498      4.690812
  N      -1.028300      0.906529      4.342577
  H      -0.641865      4.726822      7.380601
  H      -1.177538      3.684698      8.705598
  H       0.664745      3.038703      6.358831
  H       0.850241      2.589279      8.070334
  H       0.890687      0.038713      4.113000
  H       0.917274      1.774554      4.466664
  H       0.163288     -0.528185      6.342400
  H       1.484712      0.646712      6.588257
  H      -2.806751     -0.551407      8.481354
  H      -1.786207     -1.159539      7.168203
  H      -1.531167      1.472828      8.734784
  H      -0.329154      0.155864      8.653442
  C      -3.440431      3.840555      7.538691
  C      -3.913158      5.173065      6.971103
  O      -4.576365      4.920692      5.709067
  C      -4.118668      5.534723      4.607411
  O      -3.148971      6.280341      4.579692
  C      -4.962154      5.179227      3.402651
  N      -6.140820      4.632714      3.665732
  C      -6.933769      4.322019      2.612088
  N      -6.662856      4.503600      1.332899
  C      -5.452256      5.054607      1.039011
  C      -5.117862      5.254386     -0.323555
  C      -3.897736      5.793799     -0.663072
  C      -2.970319      6.153337      0.344106
  C      -3.267345      5.980887      1.680332
  C      -4.517553      5.427656      2.066855
  C      -1.475937      0.231146      3.127017
  C      -1.719876      1.143648      1.925074
  O      -2.751655      2.162863      2.138602
  C      -3.832786      1.779415      2.873687
  O      -3.733390      1.832459      4.161735
  C      -5.057129      1.320931      2.268096
  N      -5.965074      0.858398      3.157058
  C      -7.116560      0.373505      2.671234
  N      -7.502782      0.311128      1.402215
  C      -6.617786      0.791177      0.480701
  C      -6.997358      0.758362     -0.883065
  C      -6.145770      1.234268     -1.857341
  C      -4.890116      1.767458     -1.497312
  C      -4.490978      1.815783     -0.173707
  C      -5.333575      1.323865      0.851088
  C      -4.309990     -0.281002      6.352270
  C      -5.381478     -0.033164      7.407567
  O      -5.927189      1.301855      7.270673
  C      -7.142695      1.387214      6.677063
  O      -7.768421      0.427808      6.264179
  C      -7.634424      2.814963      6.624257
  N      -7.060673      3.664173      7.466308
  C      -7.504410      4.945308      7.448941
  N      -8.422992      5.464544      6.659694
  C      -9.019986      4.609906      5.781594
  C     -10.007689      5.124080      4.904963
  C     -10.645338      4.286708      4.016073
  C     -10.320465      2.909544      3.972478
  C      -9.359547      2.379427      4.808486
  C      -8.676335      3.214820      5.731098
  H      -3.279117      3.958898      8.626453
  H      -4.260013      3.112832      7.414910
  H      -3.091112      5.884690      6.824300
  H      -4.674030      5.611476      7.630814
  H      -7.899309      3.873224      2.858670
  H      -5.851815      4.959837     -1.073884
  H      -3.640783      5.948039     -1.711430
  H      -2.009556      6.584981      0.058013
  H      -2.560745      6.288489      2.446823
  H      -2.401836     -0.334854      3.329319
  H      -0.725587     -0.514865      2.812149
  H      -2.019101      0.525650      1.062026
  H      -0.823874      1.720470      1.662642
  H      -7.814234     -0.016386      3.417901
  H      -7.978873      0.348504     -1.123467
  H      -6.442675      1.204872     -2.908107
  H      -4.227947      2.159508     -2.271299
  H      -3.533182      2.261017      0.080914
  H      -4.712006      0.016445      5.372079
  H      -4.107438     -1.368079      6.317386
  H      -6.189710     -0.768396      7.301808
  H      -4.974468     -0.075782      8.426899
  H      -7.037644      5.618592      8.173782
  H     -10.238714      6.188287      4.966172
  H     -11.405680      4.682587      3.341537
  H     -10.833585      2.258088      3.264131
  H      -9.125304      1.319354      4.778037
  N      -1.247792      3.903196      4.101011
  H      -1.549827      4.830328      4.413684
  H      -1.619781      3.754986      3.158655
  H      -0.228565      3.906806      4.034863
99
Coordinates from ORCA-job orca E -6652.856154782790
  N      -2.183100      3.351892      6.920932
  Mo     -2.262059      1.899191      5.547187
  N      -3.049206      0.448870      6.605579
  C      -2.208873     -0.231273      7.606982
  C      -1.096243      0.694079      8.086629
  N      -0.482131      1.380506      6.908018
  C       0.144033      2.690638      7.254382
  C      -0.950895      3.696099      7.622465
  C       0.475426      0.496681      6.180066
  C       0.395532      0.819645      4.689101
  N      -1.019178      0.910881      4.340776
  H      -0.603054      4.719254      7.387572
  H      -1.144991      3.677508      8.711629
  H       0.690433      3.022487      6.362384
  H       0.872648      2.568971      8.070866
  H       0.892530      0.025776      4.107891
  H       0.935608      1.761737      4.467805
  H       0.158345     -0.543261      6.338288
  H       1.492259      0.620063      6.588376
  H      -2.809985     -0.544603      8.478201
  H      -1.791461     -1.157945      7.163504
  H      -1.519265      1.470877      8.734844
  H      -0.327596      0.144655      8.653123
  C      -3.405101      3.846310      7.557768
  C      -3.883652      5.180074      6.997031
  O      -4.572745      4.926370      5.749894
  C      -4.131381      5.532196      4.636793
  O      -3.141296      6.249666      4.582868
  C      -4.991995      5.166751      3.445584
  N      -6.178829      4.645011      3.727083
  C      -6.988593      4.332261      2.685463
  N      -6.723791      4.481957      1.401240
  C      -5.504792      5.004825      1.088075
  C      -5.176906      5.170593     -0.281014
  C      -3.949831      5.680471     -0.639743
  C      -3.008646      6.043069      0.353789
  C      -3.296991      5.901164      1.694242
  C      -4.553956      5.379949      2.101165
  C      -1.473297      0.243311      3.122696
  C      -1.709400      1.162533      1.924173
  O      -2.731112      2.191330      2.142795
  C      -3.815161      1.815602      2.876322
  O      -3.715857      1.859533      4.163263
  C      -5.041035      1.367291      2.270943
  N      -5.950119      0.903361      3.159901
  C      -7.104925      0.423731      2.675143
  N      -7.490828      0.364303      1.406482
  C      -6.604927      0.842052      0.483142
  C      -6.985096      0.806242     -0.883141
  C      -6.131745      1.275874     -1.858598
  C      -4.874764      1.808046     -1.497703
  C      -4.476234      1.857411     -0.174269
  C      -5.318814      1.369233      0.851903
  C      -4.305432     -0.263677      6.341562
  C      -5.383638     -0.008312      7.386619
  O      -5.928279      1.325194      7.235555
  C      -7.139460      1.403693      6.632375
  O      -7.765415      0.438943      6.231731
  C      -7.638453      2.828408      6.576031
  N      -7.069534      3.683088      7.415502
  C      -7.521497      4.960519      7.395886
  N      -8.446933      5.470119      6.609102
  C      -9.039270      4.609044      5.734604
  C     -10.035206      5.112112      4.862071
  C     -10.670603      4.267662      3.978214
  C     -10.336953      2.893578      3.938622
  C      -9.369343      2.373690      4.774041
  C      -8.687106      3.217204      5.688645
  H      -3.233142      3.963728      8.642705
  H      -4.226419      3.119108      7.442170
  H      -3.061826      5.888874      6.833142
  H      -4.631400      5.623289      7.670295
  H      -7.955998      3.897745      2.946317
  H      -5.922914      4.877941     -1.019991
  H      -3.696493      5.807883     -1.696581
  H      -2.043205      6.450984      0.052330
  H      -2.578689      6.209781      2.448634
  H      -2.404901     -0.315270      3.323077
  H      -0.729773     -0.508127      2.805026
  H      -2.015923      0.549649      1.058114
  H      -0.806887      1.732242      1.663034
  H      -7.801780      0.026458      3.420926
  H      -7.967960      0.399196     -1.123304
  H      -6.427162      1.248896     -2.904466
  H      -4.212107      2.198361     -2.270867
  H      -3.518158      2.302958      0.080104
  H      -4.698993      0.031333      5.358923
  H      -4.106540     -1.350421      6.312061
  H      -6.191021     -0.743491      7.279468
  H      -4.984183     -0.044356      8.409005
  H      -7.061639      5.639118      8.125910
  H     -10.272686      6.173773      4.920061
  H     -11.436339      4.656190      3.303342
  H     -10.848627      2.235513      3.232726
  H      -9.127795      1.316889      4.746632
  N      -1.214378      3.911908      4.110640
  H      -1.508646      4.840273      4.427296
  H      -1.587056      3.771006      3.167380
  H      -0.195313      3.907923      4.045065
99
Coordinates from ORCA-job orca E -6652.856336148961
  N      -2.197050      3.349414      6.918764
  Mo     -2.272055      1.892030      5.550153
  N      -3.051548      0.441668      6.613823
  C      -2.207018     -0.233536      7.614102
  C      -1.096737      0.696660      8.089822
  N      -0.488103      1.383971      6.909148
  C       0.133518      2.696759      7.252584
  C      -0.964870      3.698980      7.619949
  C       0.472176      0.503527      6.181330
  C       0.388273      0.822024      4.690859
  N      -1.026870      0.905970      4.344483
  H      -0.619839      4.722546      7.382665
  H      -1.157036      3.682403      8.708873
  H       0.677904      3.028939      6.358506
  H       0.864651      2.578747      8.069210
  H       0.888031      0.029518      4.111342
  H       0.923060      1.765144      4.466961
  H       0.160656     -0.536430      6.342144
  H       1.488287      0.632389      6.587028
  H      -2.804903     -0.547152      8.486401
  H      -1.787835     -1.159023      7.171814
  H      -1.521217      1.472621      8.737896
  H      -0.324530      0.150885      8.655358
  C      -3.420862      3.846696      7.549392
  C      -3.892235      5.180835      6.984002
  O      -4.568566      4.929705      5.728831
  C      -4.115406      5.535760      4.620813
  O      -3.136945      6.269430      4.581130
  C      -4.973051      5.183457      3.424705
  N      -6.159254      4.659313      3.700401
  C      -6.964412      4.351564      2.654913
  N      -6.697436      4.512582      1.372228
  C      -5.478848      5.038596      1.065237
  C      -5.147727      5.213485     -0.301617
  C      -3.920164      5.726858     -0.654262
  C      -2.981698      6.084004      0.343551
  C      -3.274393      5.934216      1.683176
  C      -4.532093      5.408550      2.083399
  C      -1.478602      0.236732      3.126909
  C      -1.719250      1.154815      1.928406
  O      -2.747022      2.177370      2.146154
  C      -3.828664      1.794806      2.880618
  O      -3.727971      1.842851      4.168422
  C      -5.054576      1.342108      2.274959
  N      -5.959797      0.871577      3.162935
  C      -7.112846      0.390184      2.676976
  N      -7.502802      0.338401      1.408836
  C      -6.621183      0.826820      0.488112
  C      -7.005885      0.805233     -0.875268
  C      -6.158370      1.290657     -1.848287
  C      -4.902257      1.822904     -1.487568
  C      -4.498368      1.859335     -0.165161
  C      -5.335967      1.356624      0.858411
  C      -4.307560     -0.274276      6.356519
  C      -5.380117     -0.023603      7.409813
  O      -5.928941      1.309288      7.266155
  C      -7.145294      1.387249      6.673300
  O      -7.767331      0.423615      6.264563
  C      -7.636554      2.814165      6.600757
  N      -7.065557      3.674515      7.433252
  C      -7.509681      4.954996      7.397676
  N      -8.426245      5.463184      6.599069
  C      -9.020478      4.596641      5.730895
  C     -10.006616      5.098118      4.845432
  C     -10.642820      4.248246      3.967407
  C     -10.318564      2.870671      3.944588
  C      -9.359133      2.352694      4.789967
  C      -8.677028      3.201245      5.701022
  H      -3.254014      3.964972      8.636054
  H      -4.243348      3.121481      7.430029
  H      -3.068028      5.888250      6.828785
  H      -4.645153      5.624168      7.649807
  H      -7.935023      3.920305      2.911802
  H      -5.890655      4.922194     -1.044397
  H      -3.665405      5.861877     -1.706738
  H      -2.015075      6.494518      0.046980
  H      -2.558173      6.238608      2.441739
  H      -2.407088     -0.325815      3.327865
  H      -0.731881     -0.511504      2.808868
  H      -2.021423      0.540994      1.062995
  H      -0.820782      1.729134      1.667753
  H      -7.807457     -0.008527      3.422435
  H      -7.987951      0.396737     -1.115871
  H      -6.458797      1.271446     -2.896956
  H      -4.243682      2.223415     -2.259971
  H      -3.540728      2.304653      0.090116
  H      -4.708018      0.021537      5.375557
  H      -4.106063     -1.361384      6.324030
  H      -6.186775     -0.760804      7.306691
  H      -4.973785     -0.060840      8.429601
  H      -7.046646      5.637978      8.116994
  H     -10.237592      6.162826      4.891040
  H     -11.401964      4.634540      3.285547
  H     -10.830774      2.208971      3.244572
  H      -9.125046      1.292622      4.775333
  N      -1.233313      3.902452      4.105229
  H      -1.530191      4.830886      4.418991
  H      -1.607448      3.756755      3.163329
  H      -0.214211      3.901160      4.037430
99
Coordinates from ORCA-job orca E -6652.856222169606
  N      -2.204985      3.343921      6.912192
  Mo     -2.271312      1.885197      5.544678
  N      -3.053050      0.436072      6.607960
  C      -2.211763     -0.236796      7.612385
  C      -1.103768      0.695324      8.090375
  N      -0.491882      1.382198      6.910982
  C       0.126065      2.696814      7.254555
  C      -0.975704      3.697215      7.617160
  C       0.472863      0.502594      6.188202
  C       0.393733      0.817714      4.697072
  N      -1.020221      0.898392      4.345621
  H      -0.632243      4.721402      7.380324
  H      -1.171025      3.680932      8.705389
  H       0.672688      3.028882      6.361580
  H       0.855077      2.581295      8.073907
  H       0.896822      0.024800      4.121298
  H       0.927626      1.761003      4.472991
  H       0.163006     -0.537431      6.349810
  H       1.487039      0.634248      6.597218
  H      -2.812455     -0.548996      8.483001
  H      -1.790611     -1.162763      7.173464
  H      -1.531282      1.471626      8.736001
  H      -0.332808      0.151177      8.659287
  C      -3.432450      3.830142      7.544333
  C      -3.917955      5.159922      6.980984
  O      -4.588391      4.903139      5.723692
  C      -4.150152      5.528808      4.620752
  O      -3.196907      6.295199      4.589096
  C      -4.990496      5.154861      3.419454
  N      -6.153829      4.578348      3.686921
  C      -6.942143      4.246860      2.636108
  N      -6.680414      4.434760      1.355887
  C      -5.485311      5.016378      1.057597
  C      -5.160355      5.223171     -0.306189
  C      -3.955065      5.792407     -0.650058
  C      -3.033497      6.175501      0.353842
  C      -3.321778      5.996766      1.691089
  C      -4.556807      5.413431      2.082060
  C      -1.466655      0.223982      3.129043
  C      -1.705081      1.136808      1.926209
  O      -2.734970      2.158639      2.136636
  C      -3.818687      1.778115      2.869370
  O      -3.722229      1.831868      4.157583
  C      -5.043095      1.323482      2.261088
  N      -5.954149      0.862982      3.147927
  C      -7.106273      0.382075      2.659530
  N      -7.490381      0.322447      1.389813
  C      -6.602318      0.800933      0.470368
  C      -6.979822      0.771207     -0.894217
  C      -6.125272      1.246318     -1.866281
  C      -4.868845      1.775709     -1.503319
  C      -4.471730      1.820716     -0.179038
  C      -5.317180      1.329301      0.843624
  C      -4.311181     -0.276031      6.350788
  C      -5.383939     -0.016907      7.402010
  O      -5.921198      1.320730      7.256488
  C      -7.134584      1.410356      6.659240
  O      -7.769173      0.451683      6.258326
  C      -7.619892      2.840211      6.602679
  N      -7.037151      3.690794      7.437242
  C      -7.476338      4.973509      7.417660
  N      -8.398816      5.492709      6.632944
  C      -9.004959      4.636698      5.762495
  C      -9.998068      5.150549      4.891748
  C     -10.645882      4.311623      4.011710
  C     -10.326012      2.933213      3.971294
  C      -9.359854      2.403434      4.801418
  C      -8.666503      3.240266      5.715100
  H      -3.266205      3.948255      8.631374
  H      -4.248173      3.097343      7.424422
  H      -3.102172      5.877663      6.829181
  H      -4.677478      5.592227      7.646189
  H      -7.894794      3.773338      2.886201
  H      -5.889206      4.909953     -1.053984
  H      -3.705266      5.951915     -1.699500
  H      -2.084485      6.630217      0.064303
  H      -2.620252      6.321830      2.455085
  H      -2.394608     -0.339452      3.329127
  H      -0.717581     -0.524172      2.816264
  H      -2.003449      0.519315      1.062471
  H      -0.806924      1.711373      1.666097
  H      -7.806771     -0.005926      3.404682
  H      -7.962124      0.364587     -1.136885
  H      -6.420579      1.219568     -2.917405
  H      -4.204413      2.167333     -2.275536
  H      -3.513255      2.263199      0.077912
  H      -4.708975      0.019621      5.368336
  H      -4.114613     -1.364377      6.321076
  H      -6.196093     -0.748056      7.297881
  H      -4.979839     -0.056398      8.422637
  H      -7.003366      5.647774      8.137595
  H     -10.225080      6.215723      4.950478
  H     -11.410415      4.707261      3.341729
  H     -10.847052      2.280524      3.269911
  H      -9.129297      1.342526      4.773430
  N      -1.227939      3.894565      4.100501
  H      -1.525138      4.823474      4.412631
  H      -1.599947      3.748186      3.157874
  H      -0.208647      3.892552      4.035049
99
Coordinates from ORCA-job orca E -6652.856343488113
  N      -2.203640      3.346578      6.919035
  Mo     -2.273866      1.890855      5.548521
  N      -3.051534      0.438075      6.610003
  C      -2.206806     -0.236624      7.610377
  C      -1.098464      0.695109      8.087845
  N      -0.490237      1.385205      6.908521
  C       0.128141      2.698979      7.254093
  C      -0.972873      3.698178      7.621821
  C       0.472785      0.507875      6.180603
  C       0.389531      0.827589      4.690441
  N      -1.025444      0.908704      4.342945
  H      -0.629994      4.722857      7.386210
  H      -1.165873      3.679699      8.710535
  H       0.672501      3.033537      6.360814
  H       0.858950      2.581581      8.071198
  H       0.891482      0.036663      4.110733
  H       0.922486      1.771968      4.467811
  H       0.163591     -0.532898      6.340028
  H       1.488160      0.638675      6.587340
  H      -2.804873     -0.551908      8.481879
  H      -1.785788     -1.161018      7.167682
  H      -1.524852      1.469473      8.736558
  H      -0.325625      0.150140      8.653300
  C      -3.429320      3.839233      7.549479
  C      -3.904008      5.172562      6.985273
  O      -4.577394      4.920912      5.728619
  C      -4.124243      5.529865      4.622184
  O      -3.145688      6.263458      4.584267
  C      -4.977250      5.174505      3.423774
  N      -6.160904      4.643054      3.696129
  C      -6.962575      4.333866      2.648455
  N      -6.695014      4.501336      1.366713
  C      -5.479293      5.035822      1.063203
  C      -5.148005      5.219030     -0.302510
  C      -3.923196      5.741306     -0.651678
  C      -2.987896      6.099749      0.348626
  C      -3.281213      5.942633      1.687361
  C      -4.535893      5.407060      2.083931
  C      -1.474681      0.238635      3.124906
  C      -1.716834      1.156057      1.926274
  O      -2.747295      2.175986      2.143382
  C      -3.828355      1.791097      2.877629
  O      -3.728531      1.839873      4.165521
  C      -5.052598      1.334327      2.271415
  N      -5.958300      0.864604      3.159193
  C      -7.109715      0.380005      2.672614
  N      -7.497497      0.323985      1.403935
  C      -6.615073      0.811168      0.483411
  C      -6.997073      0.784904     -0.880453
  C      -6.148298      1.268434     -1.853351
  C      -4.893502      1.803271     -1.492012
  C      -4.492276      1.844645     -0.168914
  C      -5.331443      1.344331      0.854534
  C      -4.307732     -0.277356      6.352519
  C      -5.380692     -0.023604      7.404637
  O      -5.924693      1.311193      7.259731
  C      -7.139268      1.394026      6.663893
  O      -7.767822      0.432140      6.261087
  C      -7.627942      2.822200      6.598182
  N      -7.049712      3.678843      7.429551
  C      -7.490496      4.960669      7.399977
  N      -8.410361      5.473493      6.608094
  C      -9.011958      4.610944      5.741001
  C     -10.001911      5.117644      4.862741
  C     -10.645241      4.272069      3.985765
  C     -10.324265      2.893785      3.956532
  C      -9.361229      2.370781      4.794677
  C      -8.672128      3.214707      5.704878
  H      -3.263793      3.956486      8.636508
  H      -4.249515      3.111730      7.428284
  H      -3.081829      5.882776      6.832281
  H      -4.659310      5.612551      7.650514
  H      -7.931196      3.896552      2.902600
  H      -5.888533      4.926795     -1.047264
  H      -3.668426      5.882823     -1.703038
  H      -2.023597      6.517770      0.054873
  H      -2.567982      6.248894      2.448044
  H      -2.401868     -0.326225      3.325200
  H      -0.725940     -0.507764      2.807268
  H      -2.016867      0.541581      1.060689
  H      -0.819707      1.732603      1.666251
  H      -7.805095     -0.017033      3.418106
  H      -7.978055      0.374169     -1.121665
  H      -6.446711      1.245152     -2.902778
  H      -4.233838      2.201932     -2.264506
  H      -3.535458      2.291523      0.086822
  H      -4.707133      0.018175      5.370966
  H      -4.107517     -1.364780      6.321125
  H      -6.189469     -0.758406      7.300913
  H      -4.975521     -0.061564      8.424847
  H      -7.020917      5.640525      8.117689
  H     -10.229992      6.182840      4.913010
  H     -11.407326      4.662353      3.309604
  H     -10.841961      2.235589      3.257338
  H      -9.129738      1.310134      4.775236
  N      -1.239014      3.906588      4.107839
  H      -1.536087      4.833802      4.424900
  H      -1.614634      3.763392      3.166145
  H      -0.220030      3.906372      4.038353
99
Coordinates from ORCA-job orca E -6652.856307242499
  N      -2.185082      3.351281      6.917028
  Mo     -2.266575      1.891947      5.550762
  N      -3.052250      0.446416      6.616571
  C      -2.210393     -0.230401      7.618181
  C      -1.096403      0.696105      8.092434
  N      -0.484790      1.378429      6.910389
  C       0.142696      2.689261      7.251025
  C      -0.951173      3.696967      7.616866
  C       0.471444      0.492220      6.184143
  C       0.388957      0.808551      4.693001
  N      -1.025875      0.898419      4.346491
  H      -0.602009      4.718660      7.377626
  H      -1.143038      3.683097      8.705946
  H       0.688093      3.017324      6.356169
  H       0.873535      2.569713      8.067502
  H       0.885041      0.012684      4.114799
  H       0.928193      1.748910      4.467407
  H       0.155109     -0.546140      6.346864
  H       1.488241      0.617186      6.589665
  H      -2.809639     -0.540306      8.490986
  H      -1.794685     -1.158293      7.177432
  H      -1.517724      1.475089      8.738971
  H      -0.326532      0.148183      8.659061
  C      -3.406428      3.852179      7.549713
  C      -3.877744      5.186242      6.983797
  O      -4.558133      4.933764      5.731128
  C      -4.112813      5.543400      4.621865
  O      -3.140715      6.285364      4.579484
  C      -4.970447      5.183212      3.427993
  N      -6.149735      4.645059      3.706760
  C      -6.954283      4.328183      2.663422
  N      -6.692647      4.492247      1.380054
  C      -5.481055      5.032453      1.069855
  C      -5.155632      5.210976     -0.297917
  C      -3.934927      5.738189     -0.653869
  C      -2.997949      6.106136      0.341461
  C      -3.285230      5.953145      1.681765
  C      -4.535756      5.413282      2.085445
  C      -1.480438      0.230248      3.129327
  C      -1.716747      1.148400      1.929978
  O      -2.740391      2.175439      2.146512
  C      -3.823458      1.798095      2.881430
  O      -3.722606      1.847339      4.169024
  C      -5.050905      1.349118      2.276476
  N      -5.957562      0.882174      3.165028
  C      -7.112331      0.404037      2.679698
  N      -7.502343      0.352091      1.411632
  C      -6.619283      0.836858      0.490220
  C      -7.004023      0.814666     -0.873326
  C      -6.154896      1.296041     -1.846951
  C      -4.897088      1.824821     -1.486763
  C      -4.493165      1.861578     -0.164393
  C      -5.332366      1.362869      0.859800
  C      -4.309296     -0.267498      6.358227
  C      -5.383195     -0.015118      7.409764
  O      -5.934186      1.316515      7.262745
  C      -7.150312      1.390525      6.668769
  O      -7.768071      0.424961      6.258056
  C      -7.645855      2.815880      6.594580
  N      -7.078794      3.678427      7.427402
  C      -7.527615      4.957143      7.391372
  N      -8.445994      5.461613      6.592608
  C      -9.036732      4.592619      5.724547
  C     -10.025048      5.089961      4.839259
  C     -10.657983      4.237490      3.961390
  C     -10.328300      2.861300      3.938796
  C      -9.366763      2.347307      4.784276
  C      -8.687741      3.198707      5.694850
  H      -3.236779      3.971642      8.635716
  H      -4.230397      3.128204      7.433521
  H      -3.053398      5.892861      6.825310
  H      -4.628622      5.631053      7.651166
  H      -7.918729      3.884892      2.922783
  H      -5.897306      4.911447     -1.038683
  H      -3.684366      5.875827     -1.707377
  H      -2.036922      6.527602      0.042306
  H      -2.570525      6.265881      2.438307
  H      -2.411558     -0.327917      3.330564
  H      -0.737077     -0.521646      2.812062
  H      -2.021186      0.535081      1.064838
  H      -0.815674      1.718821      1.669244
  H      -7.807773      0.007040      3.425484
  H      -7.987363      0.409002     -1.113503
  H      -6.455269      1.276661     -2.895226
  H      -4.237252      2.222334     -2.259542
  H      -3.534078      2.304116      0.090423
  H      -4.707951      0.027557      5.376416
  H      -4.109095     -1.354787      6.327190
  H      -6.188840     -0.753502      7.307624
  H      -4.977829     -0.049625      8.430025
  H      -7.067070      5.642217      8.110864
  H     -10.260176      6.153647      4.884719
  H     -11.418774      4.620694      3.279416
  H     -10.838096      2.197383      3.238947
  H      -9.128743      1.288277      4.770078
  N      -1.216920      3.894477      4.102396
  H      -1.507432      4.825113      4.415603
  H      -1.593127      3.750251      3.161093
  H      -0.197947      3.886530      4.033253
99
Coordinates from ORCA-job orca E -6652.856351214614
  N      -2.198938      3.348089      6.918038
  Mo     -2.272107      1.891231      5.548815
  N      -3.051713      0.440487      6.611739
  C      -2.207607     -0.234587      7.612467
  C      -1.097741      0.695887      8.088789
  N      -0.488821      1.383795      6.908544
  C       0.131885      2.696927      7.252533
  C      -0.967300      3.698303      7.619850
  C       0.472395      0.504043      6.181100
  C       0.389178      0.822615      4.690621
  N      -1.025812      0.905965      4.343533
  H      -0.622916      4.722232      7.383189
  H      -1.159880      3.681066      8.708697
  H       0.676309      3.029726      6.358708
  H       0.862846      2.579140      8.069340
  H       0.889522      0.030271      4.111383
  H       0.923795      1.765911      4.466976
  H       0.161377     -0.536107      6.341601
  H       1.488198      0.633423      6.587403
  H      -2.805893     -0.548300      8.484457
  H      -1.788018     -1.159992      7.170398
  H      -1.522729      1.471559      8.736873
  H      -0.325578      0.150256      8.654521
  C      -3.423491      3.842501      7.549459
  C      -3.897962      5.175981      6.985194
  O      -4.573152      4.924053      5.729595
  C      -4.122258      5.533615      4.622588
  O      -3.146918      6.271476      4.584179
  C      -4.976077      5.176789      3.425113
  N      -6.158549      4.643131      3.698620
  C      -6.960199      4.331170      2.651674
  N      -6.693379      4.497184      1.369600
  C      -5.478673      5.033364      1.064898
  C      -5.147826      5.214270     -0.301242
  C      -3.923839      5.737651     -0.651605
  C      -2.988867      6.099296      0.347882
  C      -3.281621      5.944199      1.686899
  C      -4.535606      5.407999      2.084736
  C      -1.476429      0.236703      3.125539
  C      -1.717068      1.154605      1.926935
  O      -2.745988      2.176152      2.144048
  C      -3.827405      1.792877      2.878506
  O      -3.727234      1.841819      4.166272
  C      -5.052461      1.337994      2.272705
  N      -5.958198      0.868615      3.160716
  C      -7.110530      0.385670      2.674544
  N      -7.499161      0.331170      1.406098
  C      -6.616868      0.818226      0.485305
  C      -6.999964      0.793619     -0.878423
  C      -6.151462      1.277245     -1.851499
  C      -4.895890      1.810604     -1.490512
  C      -4.493567      1.850090     -0.167708
  C      -5.332343      1.349495      0.855916
  C      -4.308217     -0.274486      6.354438
  C      -5.381043     -0.020884      7.406710
  O      -5.926870      1.313081      7.261221
  C      -7.141425      1.393548      6.665010
  O      -7.766497      0.430678      6.259100
  C      -7.632487      2.820822      6.597687
  N      -7.058611      3.678660      7.430805
  C      -7.502377      4.959385      7.400286
  N      -8.421715      5.470007      6.606438
  C      -9.019031      4.606127      5.737743
  C     -10.008279      5.110412      4.857352
  C     -10.647411      4.263384      3.978702
  C     -10.323017      2.885945      3.950131
  C      -9.360680      2.365258      4.790555
  C      -8.675628      3.210824      5.702213
  H      -3.256681      3.960168      8.636195
  H      -4.244490      3.115668      7.429603
  H      -3.075517      5.885637      6.830836
  H      -4.652230      5.616778      7.651172
  H      -7.927720      3.892004      2.906683
  H      -5.887986      4.919343     -1.045322
  H      -3.669250      5.877192     -1.703497
  H      -2.025124      6.517831      0.053168
  H      -2.568444      6.252338      2.446861
  H      -2.404649     -0.326485      3.325923
  H      -0.729084     -0.511049      2.807814
  H      -2.018044      0.540599      1.061247
  H      -0.818963      1.729803      1.667005
  H      -7.805784     -0.011607      3.420144
  H      -7.981571      0.384190     -1.119313
  H      -6.450690      1.255555     -2.900479
  H      -4.236514      2.209583     -2.263030
  H      -3.536200      2.295939      0.087769
  H      -4.707700      0.020850      5.372927
  H      -4.108092     -1.361876      6.323192
  H      -6.189040     -0.756633      7.303793
  H      -4.975473     -0.057769      8.426806
  H      -7.036770      5.640187      8.119980
  H     -10.239107      6.174966      4.907220
  H     -11.408876      4.651875      3.300695
  H     -10.837485      2.226521      3.249624
  H      -9.126576      1.305264      4.771626
  N      -1.233024      3.903124      4.105547
  H      -1.527746      4.831411      4.421747
  H      -1.609383      3.759904      3.164155
  H      -0.214078      3.900299      4.035537
99
Coordinates from ORCA-job orca E -6652.856350684237
  N      -2.199179      3.347946      6.918143
  Mo     -2.272664      1.891460      5.548553
  N      -3.051772      0.440444      6.611438
  C      -2.207245     -0.234762      7.611702
  C      -1.097228      0.695677      8.087751
  N      -0.488861      1.383901      6.907404
  C       0.131855      2.697019      7.251437
  C      -0.967303      3.698108      7.619574
  C       0.472175      0.504423      6.179408
  C       0.388353      0.823247      4.689044
  N      -1.026768      0.906545      4.342546
  H      -0.623157      4.722172      7.383141
  H      -1.159407      3.680451      8.708491
  H       0.675784      3.030150      6.357418
  H       0.863248      2.579095      8.067863
  H       0.888507      0.031014      4.109503
  H       0.922839      1.766583      4.465324
  H       0.161340     -0.535774      6.339825
  H       1.488104      0.633837      6.585339
  H      -2.805171     -0.548650      8.483859
  H      -1.787800     -1.160064      7.169313
  H      -1.521985      1.471173      8.736192
  H      -0.324781      0.149972      8.653024
  C      -3.423541      3.841637      7.550456
  C      -3.898459      5.175483      6.987471
  O      -4.573502      4.924595      5.731584
  C      -4.122764      5.535385      4.625204
  O      -3.146934      6.272621      4.587238
  C      -4.975071      5.177628      3.426983
  N      -6.157437      4.643250      3.699435
  C      -6.957969      4.330926      2.651753
  N      -6.690208      4.497424      1.369930
  C      -5.475634      5.034517      1.066345
  C      -5.143924      5.216358     -0.299459
  C      -3.920024      5.740715     -0.648677
  C      -2.986025      6.102504      0.351664
  C      -3.279734      5.946700      1.690409
  C      -4.533636      5.409417      2.087047
  C      -1.477744      0.237502      3.124582
  C      -1.718910      1.155565      1.926231
  O      -2.747964      2.176863      2.143845
  C      -3.828991      1.793364      2.878783
  O      -3.728299      1.842360      4.166523
  C      -5.054183      1.338101      2.273458
  N      -5.959736      0.869257      3.161896
  C      -7.112123      0.385974      2.676208
  N      -7.500906      0.330527      1.407844
  C      -6.618735      0.816933      0.486613
  C      -7.001896      0.791194     -0.877040
  C      -6.153392      1.273898     -1.850574
  C      -4.897725      1.807381     -1.490145
  C      -4.495347      1.848051     -0.167391
  C      -5.334187      1.348534      0.856713
  C      -4.308465     -0.274403      6.354678
  C      -5.380840     -0.020360      7.407346
  O      -5.926790      1.313522      7.261479
  C      -7.141678      1.393653      6.665889
  O      -7.766930      0.430570      6.260781
  C      -7.631848      2.821116      6.596125
  N      -7.056688      3.680247      7.427023
  C      -7.499584      4.961233      7.394266
  N      -8.419087      5.470931      6.599993
  C      -9.017705      4.605711      5.733529
  C     -10.007289      5.108923      4.852888
  C     -10.647677      4.260567      3.976435
  C     -10.324174      2.882853      3.950301
  C      -9.361526      2.363187      4.790994
  C      -8.675290      3.210088      5.700528
  H      -3.256347      3.958417      8.637244
  H      -4.244436      3.114763      7.430293
  H      -3.076275      5.885586      6.833846
  H      -4.652902      5.615329      7.653847
  H      -7.925463      3.891151      2.905872
  H      -5.883358      4.921332     -1.044211
  H      -3.664797      5.880998     -1.700258
  H      -2.022355      6.521874      0.057866
  H      -2.567410      6.255146      2.451066
  H      -2.405831     -0.325816      3.325199
  H      -0.730449     -0.510129      2.806447
  H      -2.020027      0.541685      1.060528
  H      -0.821010      1.730982      1.666153
  H      -7.807188     -0.010886      3.422176
  H      -7.983518      0.381571     -1.117534
  H      -6.452682      1.251235     -2.899578
  H      -4.238309      2.205539     -2.263068
  H      -3.537861      2.293887      0.087639
  H      -4.708272      0.020806      5.373242
  H      -4.108511     -1.361837      6.323562
  H      -6.188862     -0.756194      7.305212
  H      -4.974762     -0.056688      8.427253
  H      -7.032561      5.643273      8.111801
  H     -10.237369      6.173744      4.900827
  H     -11.409408      4.648218      3.298275
  H     -10.839590      2.222390      3.251493
  H      -9.128117      1.302994      4.773960
  N      -1.234069      3.903877      4.105524
  H      -1.527993      4.832106      4.422636
  H      -1.611492      3.761486      3.164434
  H      -0.215202      3.900567      4.034404
99
Coordinates from ORCA-job orca E -6652.856351671197
  N      -2.198740      3.347978      6.918359
  Mo     -2.272258      1.891524      5.548737
  N      -3.051760      0.440610      6.611458
  C      -2.207474     -0.234756      7.611819
  C      -1.097372      0.695499      8.088042
  N      -0.488747      1.383656      6.907783
  C       0.132147      2.696678      7.251903
  C      -0.966883      3.697956      7.619925
  C       0.472247      0.504031      6.179908
  C       0.388710      0.822915      4.689547
  N      -1.026343      0.906489      4.342828
  H      -0.622542      4.721958      7.383522
  H      -1.159098      3.680340      8.708821
  H       0.676206      3.029726      6.357932
  H       0.863451      2.578628      8.068398
  H       0.888802      0.030602      4.110066
  H       0.923422      1.766151      4.465938
  H       0.161204     -0.536116      6.340248
  H       1.488133      0.633257      6.586002
  H      -2.805570     -0.548574      8.483882
  H      -1.788112     -1.160110      7.169465
  H      -1.522086      1.471043      8.736453
  H      -0.325076      0.149656      8.653392
  C      -3.423085      3.841964      7.550459
  C      -3.897750      5.175692      6.987017
  O      -4.572847      4.924360      5.731249
  C      -4.121685      5.533969      4.624387
  O      -3.145910      6.271244      4.585952
  C      -4.975206      5.176935      3.426818
  N      -6.157845      4.643665      3.700253
  C      -6.959406      4.331784      2.653232
  N      -6.692413      4.497707      1.371175
  C      -5.477562      5.033594      1.066577
  C      -5.146632      5.214658     -0.299517
  C      -3.922489      5.737758     -0.649765
  C      -2.987470      6.099048      0.349806
  C      -3.280396      5.943983      1.688804
  C      -4.534514      5.407973      2.086502
  C      -1.477153      0.237886      3.124571
  C      -1.717879      1.156332      1.926428
  O      -2.746983      2.177589      2.144026
  C      -3.828131      1.793918      2.878690
  O      -3.727671      1.842780      4.166454
  C      -5.053177      1.338647      2.273055
  N      -5.958832      0.869558      3.161250
  C      -7.111085      0.386233      2.675277
  N      -7.499660      0.331010      1.406843
  C      -6.617387      0.817690      0.485854
  C      -7.000343      0.792222     -0.877857
  C      -6.151744      1.275236     -1.851155
  C      -4.896177      1.808740     -1.490431
  C      -4.493989      1.849137     -0.167611
  C      -5.332941      1.349331      0.856266
  C      -4.308516     -0.274059      6.354473
  C      -5.381064     -0.019948      7.406974
  O      -5.927038      1.313918      7.260974
  C      -7.141608      1.394009      6.664719
  O      -7.766800      0.430837      6.259736
  C      -7.632440      2.821302      6.596025
  N      -7.057594      3.680072      7.427510
  C      -7.501007      4.960899      7.395702
  N      -8.420851      5.470770      6.601943
  C      -9.019167      4.605935      5.734888
  C     -10.009046      5.109385      4.854707
  C     -10.649067      4.261434      3.977597
  C     -10.324894      2.883900      3.950330
  C      -9.361967      2.364011      4.790561
  C      -8.676099      3.210496      5.700759
  H      -3.255972      3.959004      8.637236
  H      -4.244077      3.115188      7.430384
  H      -3.075436      5.885588      6.833116
  H      -4.652135      5.615907      7.653220
  H      -7.927113      3.892936      2.908158
  H      -5.886861      4.920065     -1.043656
  H      -3.667864      5.877455     -1.701570
  H      -2.023614      6.517431      0.055196
  H      -2.567266      6.252051      2.448855
  H      -2.405386     -0.325326      3.324806
  H      -0.729916     -0.509789      2.806400
  H      -2.018740      0.542733      1.060441
  H      -0.819874      1.731797      1.666820
  H      -7.806242     -0.010801      3.421067
  H      -7.981890      0.382562     -1.118590
  H      -6.450891      1.252773     -2.900219
  H      -4.236676      2.207112     -2.263175
  H      -3.536573      2.294979      0.087649
  H      -4.708116      0.021225      5.372968
  H      -4.108686     -1.361519      6.323349
  H      -6.189058     -0.755806      7.304771
  H      -4.975137     -0.056208      8.426946
  H      -7.034151      5.642631      8.113636
  H     -10.239618      6.174062      4.903506
  H     -11.411014      4.649270      3.299785
  H     -10.840016      2.223759      3.251013
  H      -9.128048      1.303946      4.772653
  N      -1.233051      3.903888      4.105983
  H      -1.526410      4.832175      4.423442
  H      -1.610816      3.761970      3.164955
  H      -0.214208      3.900073      4.034543
