103
Coordinates from ORCA-job orca E -6485.027752900734
  N      -2.889888      0.554319      4.654278
  Mo     -3.558285      2.372925      4.833364
  N      -4.873888      1.998412      6.206399
  C      -4.415329      1.786637      7.570361
  C      -2.993370      1.222056      7.561964
  N      -2.168413      1.975370      6.606675
  C      -1.057227      1.161611      6.104402
  C      -1.609664      0.097114      5.134634
  C      -1.661901      3.220517      7.201056
  C      -1.721162      4.285174      6.097961
  N      -3.026321      4.163270      5.494467
  H      -0.893619     -0.049194      4.313126
  H      -1.719957     -0.869309      5.649392
  H      -0.373433      1.822998      5.568014
  H      -0.513778      0.687172      6.931071
  H      -1.544021      5.281237      6.516691
  H      -0.941806      4.091508      5.346393
  H      -2.327943      3.528734      8.010502
  H      -0.650904      3.092945      7.600667
  H      -5.070868      1.077920      8.096300
  H      -4.446734      2.732100      8.133510
  H      -3.040289      0.180505      7.235956
  H      -2.554118      1.252466      8.566192
  C      -3.848583     -0.490341      4.427423
  C      -3.471455     -1.399772      3.243044
  C      -3.406462     -0.617948      1.937557
  O      -4.743359     -0.245000      1.578035
  C      -4.890934      0.183903      0.271756
  C      -5.668630     -0.553526     -0.602116
  C      -5.826446     -0.098591     -1.911224
  N      -5.271070      0.993863     -2.384043
  C      -4.513321      1.735059     -1.551604
  C      -3.918589      2.921881     -2.021608
  C      -3.164795      3.675999     -1.148891
  C      -3.020649      3.243781      0.168560
  N      -3.551660      2.135809      0.646696
  C      -4.289468      1.379496     -0.191089
  C      -3.937177      5.230364      5.830588
  C      -4.999684      5.387774      4.744543
  C      -4.362366      5.793022      3.411490
  O      -5.042880      5.217927      2.304011
  C      -6.272731      5.684510      1.944579
  C      -6.815823      6.899757      2.311568
  C      -8.037135      7.285093      1.756169
  N      -8.709585      6.584817      0.875747
  C      -8.214551      5.387735      0.511434
  C      -8.891786      4.619061     -0.458907
  C      -8.386272      3.383598     -0.786866
  C      -7.260429      2.916219     -0.106356
  N      -6.577642      3.610452      0.777596
  C      -7.019036      4.855730      1.061615
  C      -6.306232      1.905075      6.120218
  C      -7.058274      3.071437      6.803353
  C      -8.269421      3.473777      5.972279
  O      -7.803753      3.962147      4.708889
  C      -8.716246      3.802133      3.678360
  C      -9.676104      4.769547      3.428579
  C     -10.572517      4.571140      2.386320
  N     -10.587534      3.496394      1.624064
  C      -9.680976      2.529851      1.865315
  C      -9.701977      1.353571      1.095357
  C      -8.779059      0.358285      1.369688
  C      -7.834256      0.573244      2.359595
  N      -7.766866      1.672386      3.103233
  C      -8.688839      2.639428      2.879493
  H      -3.956553     -1.129308      5.324342
  H      -4.818993     -0.026441      4.211776
  H      -2.498720     -1.858921      3.419213
  H      -4.219579     -2.187603      3.145519
  H      -2.984218     -1.242939      1.140714
  H      -2.789929      0.284531      2.049023
  H      -6.141638     -1.462963     -0.266838
  H      -6.428252     -0.656378     -2.616133
  H      -4.075301      3.211067     -3.048843
  H      -2.694354      4.592307     -1.469435
  H      -2.436808      3.809291      0.881980
  H      -3.389199      6.179075      5.926271
  H      -4.442751      5.038815      6.794096
  H      -5.751533      6.115905      5.052258
  H      -5.496953      4.422276      4.603333
  H      -3.356627      5.360358      3.343312
  H      -4.289020      6.879927      3.301213
  H      -6.316073      7.565219      2.995546
  H      -8.481262      8.232460      2.030792
  H      -9.784436      5.018241     -0.912124
  H      -8.855925      2.761468     -1.531492
  H      -6.894648      1.915222     -0.285938
  H      -6.657453      0.955394      6.560772
  H      -6.584900      1.908901      5.065684
  H      -6.394936      3.934679      6.870930
  H      -7.391107      2.804528      7.806022
  H      -8.847818      4.262799      6.470998
  H      -8.925547      2.608743      5.811725
  H      -9.716862      5.661658      4.033659
  H     -11.322584      5.313959      2.154008
  H     -10.448735      1.246291      0.325292
  H      -8.777175     -0.564963      0.812174
  H      -7.073910     -0.167084      2.575798
  N      -4.656158      2.767613      3.051287
  N      -5.370417      3.024391      1.891896
  H      -6.360674      2.982004      2.090063
  H      -5.136743      2.333224      1.192353
  H      -5.134566      3.945150      1.548016
103
Coordinates from ORCA-job orca E -6485.115791539563
  N      -2.864848      0.549151      4.655337
  Mo     -3.539807      2.373463      4.846771
  N      -4.858159      1.985799      6.215337
  C      -4.398611      1.766133      7.581460
  C      -2.977363      1.204157      7.572482
  N      -2.151432      1.966205      6.620286
  C      -1.034949      1.155595      6.114003
  C      -1.581802      0.094655      5.138313
  C      -1.647887      3.214816      7.221496
  C      -1.708724      4.284963      6.122216
  N      -3.017194      4.171671      5.511688
  H      -0.861746     -0.045212      4.317674
  H      -1.690214     -0.876074      5.648223
  H      -0.351107      1.823348      5.582082
  H      -0.490660      0.678500      6.940593
  H      -1.531934      5.280950      6.545200
  H      -0.925929      4.092661      5.372177
  H      -2.315627      3.518626      8.033094
  H      -0.635437      3.085945      7.622202
  H      -5.053830      1.052171      8.102820
  H      -4.433029      2.709535      8.151057
  H      -3.020974      0.163171      7.240040
  H      -2.538685      1.229578      8.578918
  C      -3.825517     -0.504353      4.418592
  C      -3.462534     -1.429686      3.234696
  C      -3.397472     -0.680817      1.910237
  O      -4.735688     -0.299903      1.542301
  C      -4.886795      0.108310      0.232765
  C      -5.688778     -0.605407     -0.638778
  C      -5.838029     -0.137268     -1.952575
  N      -5.253039      0.946561     -2.428025
  C      -4.470610      1.663436     -1.589982
  C      -3.841647      2.846581     -2.040229
  C      -3.070097      3.569388     -1.150173
  C      -2.938621      3.111208      0.162148
  N      -3.500813      2.009911      0.617908
  C      -4.256206      1.286466     -0.232711
  C      -3.937767      5.246528      5.847109
  C      -5.016254      5.454407      4.770883
  C      -4.414558      5.907416      3.428830
  O      -5.122411      5.372412      2.310608
  C      -6.362236      5.793465      1.930110
  C      -6.952681      6.990137      2.290844
  C      -8.178246      7.337878      1.712556
  N      -8.813408      6.616908      0.813629
  C      -8.272286      5.432645      0.453431
  C      -8.916645      4.652861     -0.535270
  C      -8.383207      3.428369     -0.866713
  C      -7.259826      2.973531     -0.172556
  N      -6.593759      3.672217      0.733718
  C      -7.066718      4.928129      1.024634
  C      -6.293428      1.889247      6.123236
  C      -7.048794      3.048963      6.816853
  C      -8.263032      3.459008      5.996234
  O      -7.805990      3.963705      4.732428
  C      -8.727322      3.812144      3.715259
  C      -9.688789      4.779302      3.487562
  C     -10.602341      4.589393      2.450498
  N     -10.628834      3.518363      1.676257
  C      -9.713139      2.548930      1.898324
  C      -9.734899      1.375536      1.116820
  C      -8.800489      0.384311      1.369042
  C      -7.840229      0.598143      2.353550
  N      -7.772587      1.691447      3.106277
  C      -8.705961      2.654555      2.902819
  H      -3.930351     -1.140486      5.318711
  H      -4.796610     -0.039368      4.205196
  H      -2.489711     -1.894060      3.412788
  H      -4.219409     -2.214644      3.154421
  H      -2.983656     -1.327414      1.124395
  H      -2.771796      0.218149      2.001107
  H      -6.190685     -1.503069     -0.301944
  H      -6.462250     -0.676403     -2.657256
  H      -3.989630      3.158276     -3.065563
  H      -2.573862      4.483104     -1.445028
  H      -2.341572      3.653163      0.888395
  H      -3.384546      6.192119      5.957915
  H      -4.440716      5.036459      6.809208
  H      -5.756566      6.182308      5.115507
  H      -5.524935      4.498124      4.609703
  H      -3.411616      5.476910      3.306470
  H      -4.341819      6.999379      3.356875
  H      -6.485275      7.671356      2.987027
  H      -8.657515      8.272988      1.983738
  H      -9.813115      5.038121     -1.000150
  H      -8.831131      2.800839     -1.625785
  H      -6.877018      1.976205     -0.358465
  H      -6.641768      0.934216      6.556126
  H      -6.570431      1.899008      5.066331
  H      -6.384880      3.914009      6.892616
  H      -7.380954      2.771427      7.819644
  H      -8.840291      4.242527      6.507755
  H      -8.920162      2.594092      5.829192
  H      -9.718736      5.668083      4.104095
  H     -11.353601      5.339960      2.234533
  H     -10.492311      1.270282      0.352187
  H      -8.795699     -0.537076      0.800408
  H      -7.069313     -0.140366      2.552083
  N      -4.605923      2.769319      3.099833
  N      -5.313311      3.038557      1.935124
  H      -6.308617      2.982342      2.141691
  H      -5.059772      2.348517      1.229095
  H      -5.068662      3.963328      1.612502
103
Coordinates from ORCA-job orca E -6485.176881399268
  N      -2.848056      0.541943      4.663552
  Mo     -3.528367      2.374894      4.866841
  N      -4.848812      1.980869      6.233841
  C      -4.386032      1.757904      7.603183
  C      -2.966261      1.195592      7.592683
  N      -2.138581      1.962058      6.638367
  C      -1.017898      1.151332      6.127302
  C      -1.561059      0.091538      5.148869
  C      -1.634662      3.217000      7.240466
  C      -1.696806      4.286934      6.140190
  N      -3.009300      4.181273      5.525907
  H      -0.837245     -0.043476      4.328765
  H      -1.667144     -0.883105      5.655545
  H      -0.334875      1.824533      5.597056
  H      -0.470994      0.674245      6.954588
  H      -1.517997      5.285249      6.562005
  H      -0.911719      4.091090      5.391523
  H      -2.302416      3.520006      8.054612
  H      -0.620072      3.086607      7.641311
  H      -5.041548      1.041509      8.123584
  H      -4.421416      2.701542      8.176186
  H      -3.008400      0.153924      7.257197
  H      -2.525726      1.218692      8.600550
  C      -3.811608     -0.516894      4.415865
  C      -3.455131     -1.446800      3.229557
  C      -3.384755     -0.719411      1.893002
  O      -4.724956     -0.330582      1.509533
  C      -4.882845      0.067357      0.201413
  C      -5.703056     -0.631209     -0.664732
  C      -5.857162     -0.153311     -1.982418
  N      -5.262394      0.927585     -2.466399
  C      -4.460978      1.632159     -1.628574
  C      -3.821737      2.818866     -2.069669
  C      -3.038414      3.528286     -1.175780
  C      -2.899551      3.054053      0.134539
  N      -3.471323      1.951372      0.580475
  C      -4.240527      1.240979     -0.273603
  C      -3.937255      5.261539      5.851763
  C      -5.021785      5.489337      4.777270
  C      -4.440269      5.955301      3.427903
  O      -5.169327      5.438761      2.305399
  C      -6.407690      5.847615      1.921111
  C      -7.009613      7.039266      2.280190
  C      -8.238648      7.378802      1.692039
  N      -8.863987      6.652003      0.783432
  C      -8.303291      5.468542      0.427235
  C      -8.931846      4.682798     -0.570321
  C      -8.386710      3.461392     -0.900687
  C      -7.264085      3.010163     -0.195134
  N      -6.606938      3.710821      0.724019
  C      -7.095840      4.971063      1.009633
  C      -6.288279      1.883033      6.128684
  C      -7.053721      3.039129      6.819197
  C      -8.268186      3.447359      5.998920
  O      -7.815626      3.958972      4.729968
  C      -8.739150      3.810349      3.721239
  C      -9.696611      4.778895      3.499917
  C     -10.622097      4.592958      2.461833
  N     -10.659827      3.520971      1.683870
  C      -9.739960      2.547252      1.901485
  C      -9.762576      1.371619      1.116673
  C      -8.824529      0.382804      1.359217
  C      -7.852972      0.596747      2.344463
  N      -7.785171      1.688389      3.099182
  C      -8.723988      2.650833      2.902731
  H      -3.915804     -1.152502      5.317301
  H      -4.783334     -0.050687      4.204603
  H      -2.481116     -1.915318      3.410320
  H      -4.217982     -2.231199      3.158169
  H      -2.973658     -1.380478      1.115838
  H      -2.753092      0.176416      1.973700
  H      -6.219770     -1.523944     -0.324686
  H      -6.500130     -0.684654     -2.681762
  H      -3.975448      3.145224     -3.093606
  H      -2.535651      4.447244     -1.456080
  H      -2.292756      3.588810      0.864410
  H      -3.378067      6.204969      5.966810
  H      -4.443097      5.049447      6.812874
  H      -5.755357      6.221006      5.138454
  H      -5.539482      4.538680      4.609876
  H      -3.440320      5.522458      3.273911
  H      -4.364804      7.049952      3.367650
  H      -6.547926      7.724274      2.982836
  H      -8.726515      8.313591      1.964560
  H      -9.830024      5.064284     -1.043767
  H      -8.824498      2.829492     -1.667830
  H      -6.875347      2.011112     -0.382536
  H      -6.634262      0.924309      6.557255
  H      -6.557610      1.892302      5.067682
  H      -6.390519      3.907757      6.901081
  H      -7.391424      2.758762      7.822724
  H      -8.848235      4.228454      6.514325
  H      -8.924482      2.580203      5.828785
  H      -9.715075      5.669650      4.121025
  H     -11.370314      5.353512      2.251534
  H     -10.526366      1.267145      0.352667
  H      -8.817999     -0.540275      0.785363
  H      -7.076688     -0.143436      2.534206
  N      -4.553037      2.761518      3.183629
  N      -5.257890      3.037870      2.017574
  H      -6.254953      2.973935      2.228015
  H      -4.988348      2.342256      1.308115
  H      -5.008669      3.971006      1.703502
103
Coordinates from ORCA-job orca E -6485.219697620422
  N      -2.839367      0.530435      4.664854
  Mo     -3.525706      2.372549      4.878121
  N      -4.845082      1.975269      6.248695
  C      -4.377696      1.751702      7.619784
  C      -2.959840      1.188794      7.606441
  N      -2.132022      1.957494      6.647970
  C      -1.008680      1.146038      6.132263
  C      -1.549132      0.085798      5.153116
  C      -1.627697      3.218906      7.247755
  C      -1.691719      4.286551      6.145886
  N      -3.006705      4.188936      5.528708
  H      -0.821866     -0.045941      4.333880
  H      -1.652564     -0.891638      5.658086
  H      -0.327401      1.823712      5.602556
  H      -0.458548      0.670982      6.960446
  H      -1.510342      5.287272      6.565343
  H      -0.905086      4.086641      5.398507
  H      -2.294759      3.521136      8.064400
  H      -0.611242      3.087465      7.648104
  H      -5.033527      1.034599      8.141126
  H      -4.412808      2.696141      8.194254
  H      -3.000405      0.146325      7.269554
  H      -2.516003      1.211304      8.614503
  C      -3.804329     -0.531461      4.408404
  C      -3.451585     -1.463142      3.222416
  C      -3.375786     -0.751747      1.879200
  O      -4.717707     -0.357285      1.481451
  C      -4.874743      0.034093      0.176772
  C      -5.707713     -0.651187     -0.686929
  C      -5.861216     -0.167601     -2.007595
  N      -5.258422      0.908601     -2.498363
  C      -4.444505      1.603919     -1.659260
  C      -3.799460      2.792912     -2.093724
  C      -3.010718      3.494978     -1.198676
  C      -2.865784      3.011137      0.111205
  N      -3.443634      1.907019      0.551669
  C      -4.221266      1.204028     -0.305875
  C      -3.938774      5.274668      5.845824
  C      -5.025896      5.521890      4.774841
  C      -4.460257      6.006209      3.425513
  O      -5.205982      5.503834      2.299536
  C      -6.445085      5.893125      1.912298
  C      -7.061893      7.077627      2.268481
  C      -8.295082      7.402835      1.672660
  N      -8.908268      6.668141      0.758313
  C      -8.325350      5.488536      0.408009
  C      -8.937672      4.695797     -0.594845
  C      -8.379604      3.479693     -0.922192
  C      -7.256630      3.035191     -0.205834
  N      -6.610631      3.739151      0.721887
  C      -7.115377      5.001229      0.999261
  C      -6.287144      1.877018      6.133896
  C      -7.058479      3.029822      6.823788
  C      -8.275179      3.437131      6.009289
  O      -7.829559      3.957154      4.735711
  C      -8.756174      3.813656      3.735396
  C      -9.711457      4.782822      3.521106
  C     -10.646169      4.601059      2.482556
  N     -10.692641      3.530843      1.700256
  C      -9.767443      2.555298      1.911266
  C      -9.786884      1.381450      1.119064
  C      -8.842143      0.397728      1.347490
  C      -7.861703      0.610366      2.333399
  N      -7.798035      1.696744      3.094419
  C      -8.744817      2.655578      2.908422
  H      -3.908627     -1.165437      5.311546
  H      -4.776796     -0.064826      4.199261
  H      -2.476633     -1.934715      3.405228
  H      -4.217752     -2.248338      3.157836
  H      -2.966175     -1.422554      1.108538
  H      -2.740714      0.142086      1.953225
  H      -6.238714     -1.538483     -0.345819
  H      -6.516940     -0.694866     -2.702431
  H      -3.957514      3.128697     -3.116811
  H      -2.505646      4.419056     -1.467593
  H      -2.254153      3.544399      0.842303
  H      -3.373818      6.215290      5.967867
  H      -4.448408      5.060224      6.805093
  H      -5.755401      6.253364      5.151258
  H      -5.550522      4.576213      4.599133
  H      -3.462683      5.576332      3.243097
  H      -4.385874      7.102874      3.378299
  H      -6.607604      7.768618      2.974361
  H      -8.793652      8.334942      1.945426
  H      -9.838147      5.070784     -1.075368
  H      -8.807558      2.843365     -1.694428
  H      -6.860723      2.036042     -0.392668
  H      -6.630016      0.915410      6.559838
  H      -6.550850      1.884539      5.070138
  H      -6.395643      3.901028      6.910492
  H      -7.397976      2.746629      7.828427
  H      -8.855997      4.215497      6.529992
  H      -8.931484      2.568947      5.836890
  H      -9.719955      5.673797      4.146981
  H     -11.390440      5.370762      2.278336
  H     -10.555416      1.279095      0.355479
  H      -8.829415     -0.523159      0.764734
  H      -7.078446     -0.129194      2.510164
  N      -4.498451      2.743675      3.268682
  N      -5.198609      3.025591      2.100205
  H      -6.199051      2.956515      2.306781
  H      -4.915376      2.327079      1.388672
  H      -4.949278      3.965862      1.789069
103
Coordinates from ORCA-job orca E -6485.247129618754
  N      -2.833461      0.518266      4.670405
  Mo     -3.529197      2.367390      4.893435
  N      -4.845417      1.970022      6.271337
  C      -4.373833      1.749816      7.643473
  C      -2.957191      1.185999      7.627443
  N      -2.129653      1.954347      6.663580
  C      -1.004480      1.143006      6.143764
  C      -1.541181      0.081536      5.163683
  C      -1.626437      3.223201      7.257090
  C      -1.692133      4.285687      6.151067
  N      -3.007218      4.194572      5.530573
  H      -0.809287     -0.046799      4.346684
  H      -1.641332     -0.898409      5.666861
  H      -0.326055      1.825252      5.614548
  H      -0.450440      0.671884      6.972964
  H      -1.508237      5.289443      6.565711
  H      -0.903609      4.080655      5.406030
  H      -2.293132      3.524912      8.075303
  H      -0.608712      3.092431      7.657648
  H      -5.030396      1.033904      8.167332
  H      -4.408283      2.695872      8.217065
  H      -2.995671      0.142469      7.291164
  H      -2.509580      1.210029      8.634916
  C      -3.795836     -0.545276      4.402493
  C      -3.441156     -1.472690      3.216319
  C      -3.358929     -0.768513      1.871663
  O      -4.702999     -0.371661      1.462108
  C      -4.860436      0.019346      0.161926
  C      -5.708335     -0.655961     -0.695014
  C      -5.871293     -0.170649     -2.015703
  N      -5.268567      0.900692     -2.516652
  C      -4.441085      1.590764     -1.683275
  C      -3.802629      2.782570     -2.121189
  C      -3.007084      3.486080     -1.235530
  C      -2.843373      2.999639      0.073696
  N      -3.416776      1.892621      0.519457
  C      -4.203471      1.187945     -0.332456
  C      -3.940551      5.283889      5.833487
  C      -5.023841      5.533710      4.760309
  C      -4.465228      6.022568      3.412634
  O      -5.219794      5.524226      2.283117
  C      -6.459939      5.909034      1.901606
  C      -7.078662      7.090339      2.264383
  C      -8.315419      7.415615      1.670339
  N      -8.928303      6.685463      0.750580
  C      -8.336700      5.508499      0.396078
  C      -8.940791      4.717992     -0.613755
  C      -8.376845      3.505783     -0.944897
  C      -7.254702      3.059652     -0.223037
  N      -6.618461      3.761242      0.712640
  C      -7.128081      5.019528      0.987276
  C      -6.288319      1.872134      6.143944
  C      -7.065182      3.025107      6.826287
  C      -8.282801      3.428866      6.013771
  O      -7.843146      3.952591      4.734307
  C      -8.773671      3.812378      3.740662
  C      -9.727033      4.782674      3.526745
  C     -10.667981      4.600863      2.489219
  N     -10.723688      3.529390      1.709872
  C      -9.795131      2.553801      1.918583
  C      -9.813826      1.380290      1.123860
  C      -8.862814      0.402438      1.339776
  C      -7.873123      0.616541      2.321836
  N      -7.811739      1.699938      3.085930
  C      -8.766413      2.654033      2.909529
  H      -3.901858     -1.179173      5.306021
  H      -4.769819     -0.080255      4.195227
  H      -2.465384     -1.945891      3.400663
  H      -4.206666     -2.261074      3.153630
  H      -2.948423     -1.443057      1.104336
  H      -2.724082      0.125328      1.943479
  H      -6.247713     -1.538413     -0.349861
  H      -6.541099     -0.697199     -2.700245
  H      -3.975572      3.121646     -3.142546
  H      -2.509828      4.416889     -1.502872
  H      -2.226207      3.539024      0.797935
  H      -3.370843      6.222245      5.959318
  H      -4.458105      5.075454      6.790459
  H      -5.753237      6.264444      5.141162
  H      -5.552798      4.590215      4.583313
  H      -3.468798      5.595754      3.215747
  H      -4.393265      7.120030      3.367507
  H      -6.621797      7.778320      2.974080
  H      -8.813928      8.347088      1.951687
  H      -9.841871      5.093638     -1.096521
  H      -8.799702      2.871213     -1.723171
  H      -6.856625      2.060506     -0.413510
  H      -6.629844      0.909569      6.569764
  H      -6.543568      1.873889      5.077410
  H      -6.402832      3.898227      6.916050
  H      -7.407703      2.743995      7.832154
  H      -8.864746      4.206752      6.534959
  H      -8.939333      2.560012      5.841318
  H      -9.726943      5.676671      4.151011
  H     -11.405889      5.379117      2.285635
  H     -10.587441      1.278485      0.362807
  H      -8.845422     -0.516525      0.751527
  H      -7.083493     -0.121469      2.485270
  N      -4.450792      2.720447      3.351005
  N      -5.144962      3.006258      2.179532
  H      -6.151278      2.932054      2.374829
  H      -4.846593      2.307472      1.466421
  H      -4.902297      3.953813      1.866556
103
Coordinates from ORCA-job orca E -6485.263136084783
  N      -2.820591      0.502309      4.686821
  Mo     -3.534452      2.353062      4.917819
  N      -4.847017      1.959242      6.305947
  C      -4.373414      1.749405      7.679159
  C      -2.956490      1.186761      7.663732
  N      -2.129182      1.951903      6.694036
  C      -1.000840      1.142886      6.173595
  C      -1.528538      0.077905      5.191815
  C      -1.632787      3.231444      7.275023
  C      -1.698149      4.283027      6.159304
  N      -3.008916      4.195006      5.530213
  H      -0.788081     -0.046900      4.381031
  H      -1.624807     -0.903957      5.693628
  H      -0.326390      1.830571      5.645724
  H      -0.442806      0.679186      7.005130
  H      -1.513422      5.291391      6.564832
  H      -0.904735      4.070894      5.420825
  H      -2.302067      3.533674      8.091458
  H      -0.615271      3.106119      7.679646
  H      -5.030802      1.036514      8.207324
  H      -4.408964      2.698749      8.247950
  H      -2.990145      0.141382      7.331383
  H      -2.506453      1.216492      8.670576
  C      -3.773075     -0.564177      4.400518
  C      -3.407808     -1.479948      3.212620
  C      -3.321152     -0.774259      1.870687
  O      -4.669581     -0.384013      1.453428
  C      -4.833160      0.009658      0.157653
  C      -5.704930     -0.656686     -0.683503
  C      -5.891967     -0.172937     -2.000649
  N      -5.294370      0.892223     -2.517578
  C      -4.445659      1.577630     -1.700429
  C      -3.823270      2.771554     -2.152346
  C      -3.013872      3.481754     -1.287199
  C      -2.816315      2.997510      0.019325
  N      -3.376964      1.887481      0.480985
  C      -4.178455      1.175752     -0.354462
  C      -3.941294      5.289535      5.808697
  C      -5.014820      5.533725      4.727444
  C      -4.457890      6.024315      3.383838
  O      -5.214372      5.523598      2.249137
  C      -6.459797      5.907424      1.882595
  C      -7.076132      7.083700      2.264541
  C      -8.319448      7.414949      1.684602
  N      -8.940037      6.698493      0.759571
  C      -8.346818      5.527109      0.386469
  C      -8.950573      4.747274     -0.632156
  C      -8.384629      3.540658     -0.979499
  C      -7.260426      3.086708     -0.262654
  N      -6.631802      3.779899      0.680807
  C      -7.137641      5.030167      0.965650
  C      -6.289311      1.859574      6.163505
  C      -7.073884      3.013385      6.833761
  C      -8.294801      3.410168      6.024712
  O      -7.864007      3.940960      4.740943
  C      -8.800609      3.809742      3.753010
  C      -9.752440      4.783589      3.544810
  C     -10.698050      4.609123      2.508764
  N     -10.763595      3.541525      1.727177
  C      -9.832154      2.565757      1.925269
  C      -9.851053      1.401195      1.117587
  C      -8.890898      0.429635      1.308780
  C      -7.891002      0.637765      2.284412
  N      -7.831708      1.710414      3.062995
  C      -8.796853      2.658782      2.908995
  H      -3.882393     -1.200906      5.302165
  H      -4.750692     -0.105802      4.194138
  H      -2.430071     -1.950794      3.398189
  H      -4.165808     -2.276537      3.146368
  H      -2.906015     -1.446092      1.103663
  H      -2.693220      0.124297      1.942973
  H      -6.248466     -1.532846     -0.327851
  H      -6.582483     -0.698752     -2.666161
  H      -4.024014      3.109731     -3.169610
  H      -2.533131      4.419710     -1.563246
  H      -2.189285      3.547276      0.727759
  H      -3.367022      6.225327      5.938193
  H      -4.473335      5.094978      6.761398
  H      -5.747933      6.261431      5.106959
  H      -5.546512      4.591092      4.551603
  H      -3.460364      5.603822      3.181689
  H      -4.392577      7.122022      3.336536
  H      -6.611243      7.762547      2.978727
  H      -8.813824      8.343329      1.985281
  H      -9.854172      5.127868     -1.108106
  H      -8.807487      2.913970     -1.764796
  H      -6.862515      2.089387     -0.464475
  H      -6.629429      0.897507      6.592130
  H      -6.534098      1.850658      5.094401
  H      -6.414822      3.889713      6.925780
  H      -7.417266      2.735952      7.841203
  H      -8.878534      4.186222      6.546725
  H      -8.950158      2.540178      5.852291
  H      -9.745016      5.676941      4.170636
  H     -11.427367      5.397711      2.309367
  H     -10.630431      1.306531      0.360397
  H      -8.869011     -0.479727      0.705884
  H      -7.093155     -0.097340      2.423443
  N      -4.415971      2.687510      3.405509
  N      -5.097696      2.974393      2.229744
  H      -6.110745      2.892401      2.402325
  H      -4.781448      2.282756      1.512922
  H      -4.871194      3.930223      1.913149
103
Coordinates from ORCA-job orca E -6485.273762392962
  N      -2.808229      0.484541      4.709365
  Mo     -3.542535      2.332121      4.948247
  N      -4.852413      1.948256      6.346848
  C      -4.379529      1.752545      7.721195
  C      -2.962712      1.188790      7.708176
  N      -2.133872      1.946787      6.732670
  C      -1.002991      1.139403      6.214103
  C      -1.519587      0.071048      5.230257
  C      -1.645020      3.237396      7.297194
  C      -1.705271      4.274530      6.168626
  N      -3.009610      4.188443      5.528417
  H      -0.768156     -0.051770      4.428601
  H      -1.614358     -0.912116      5.730922
  H      -0.331381      1.831442      5.688105
  H      -0.442247      0.683300      7.048420
  H      -1.518731      5.287588      6.563040
  H      -0.905444      4.052976      5.439393
  H      -2.318445      3.543146      8.109114
  H      -0.629079      3.118756      7.708740
  H      -5.039132      1.045527      8.255263
  H      -4.414500      2.706513      8.282455
  H      -2.993121      0.141124      7.381883
  H      -2.511054      1.225631      8.714397
  C      -3.748110     -0.584087      4.398268
  C      -3.366848     -1.481348      3.204689
  C      -3.277471     -0.765525      1.869139
  O      -4.630972     -0.387422      1.446864
  C      -4.803726      0.012024      0.155546
  C      -5.706034     -0.641106     -0.665322
  C      -5.925189     -0.155016     -1.974973
  N      -5.330468      0.902421     -2.508224
  C      -4.452598      1.576474     -1.712335
  C      -3.843228      2.769156     -2.180661
  C      -3.012007      3.480784     -1.339455
  C      -2.778516      2.997162     -0.037964
  N      -3.328322      1.887339      0.441512
  C      -4.150285      1.172813     -0.373769
  C      -3.937931      5.290720      5.778994
  C      -5.002298      5.527862      4.689881
  C      -4.444692      6.016335      3.349513
  O      -5.201897      5.515519      2.208738
  C      -6.451811      5.908329      1.863046
  C      -7.057609      7.080851      2.271736
  C      -8.307063      7.427866      1.712580
  N      -8.943133      6.733201      0.782404
  C      -8.359112      5.566106      0.382041
  C      -8.972223      4.804799     -0.645884
  C      -8.412772      3.602606     -1.018532
  C      -7.284926      3.132276     -0.316076
  N      -6.656820      3.809887      0.634977
  C      -7.149197      5.052392      0.941550
  C      -6.293344      1.850359      6.187908
  C      -7.080317      3.013452      6.836102
  C      -8.300290      3.400277      6.023437
  O      -7.870942      3.924377      4.733734
  C      -8.812830      3.793931      3.751301
  C      -9.763493      4.769923      3.540358
  C     -10.715846      4.592320      2.511180
  N     -10.794331      3.518819      1.740970
  C      -9.860745      2.544687      1.936311
  C      -9.888578      1.378305      1.132578
  C      -8.920898      0.413063      1.308113
  C      -7.904525      0.627543      2.265989
  N      -7.839054      1.700103      3.044542
  C      -8.814221      2.641921      2.907154
  H      -3.862745     -1.228600      5.294172
  H      -4.730013     -0.133703      4.192478
  H      -2.386415     -1.947667      3.390705
  H      -4.113094     -2.288610      3.128538
  H      -2.854758     -1.429055      1.099345
  H      -2.660801      0.140276      1.946108
  H      -6.252184     -1.510239     -0.297370
  H      -6.643575     -0.672577     -2.617416
  H      -4.074942      3.107650     -3.191422
  H      -2.545179      4.422276     -1.628511
  H      -2.136357      3.552555      0.652137
  H      -3.357448      6.222930      5.909465
  H      -4.485139      5.115679      6.727756
  H      -5.737214      6.254288      5.067704
  H      -5.539671      4.586898      4.518083
  H      -3.446978      5.598376      3.147442
  H      -4.382423      7.113732      3.298013
  H      -6.579304      7.744795      2.991146
  H      -8.790863      8.353600      2.038467
  H      -9.878381      5.196857     -1.108268
  H      -8.841918      2.989057     -1.811372
  H      -6.892597      2.136826     -0.536155
  H      -6.638082      0.893030      6.623990
  H      -6.526164      1.826328      5.116141
  H      -6.421467      3.890898      6.924358
  H      -7.427004      2.749861      7.846637
  H      -8.885530      4.180575      6.537333
  H      -8.955977      2.529544      5.856051
  H      -9.750117      5.668859      4.157868
  H     -11.438357      5.387374      2.309912
  H     -10.678695      1.281585      0.386522
  H      -8.903662     -0.495352      0.704773
  H      -7.099849     -0.103898      2.386287
  N      -4.401369      2.652884      3.427265
  N      -5.067307      2.941108      2.248253
  H      -6.087746      2.850412      2.393172
  H      -4.733867      2.263150      1.524595
  H      -4.860562      3.905291      1.929493
103
Coordinates from ORCA-job orca E -6485.281501066637
  N      -2.781161      0.471461      4.737305
  Mo     -3.546031      2.308605      4.980285
  N      -4.852886      1.931194      6.387218
  C      -4.382741      1.752710      7.762965
  C      -2.963192      1.196204      7.754093
  N      -2.135980      1.950385      6.773676
  C      -0.998088      1.149523      6.260504
  C      -1.496342      0.073841      5.277049
  C      -1.660461      3.253818      7.319626
  C      -1.714464      4.272290      6.175697
  N      -3.010938      4.180419      5.523017
  H      -0.731959     -0.046718      4.486710
  H      -1.587230     -0.909350      5.779421
  H      -0.331356      1.847542      5.735979
  H      -0.434101      0.704307      7.098731
  H      -1.529826      5.290971      6.557372
  H      -0.905878      4.042392      5.458335
  H      -2.340936      3.563783      8.124168
  H      -0.646796      3.146925      7.740784
  H      -5.040778      1.048247      8.302887
  H      -4.422381      2.711267      8.316264
  H      -2.985106      0.146183      7.433887
  H      -2.511338      1.242562      8.760150
  C      -3.701984     -0.605647      4.402602
  C      -3.299026     -1.482975      3.203319
  C      -3.216344     -0.756782      1.873806
  O      -4.579176     -0.404988      1.451232
  C      -4.770275     -0.004632      0.164482
  C      -5.706584     -0.646324     -0.628213
  C      -5.964006     -0.159997     -1.930088
  N      -5.374169      0.889645     -2.483840
  C      -4.463915      1.553025     -1.715148
  C      -3.867824      2.744131     -2.202344
  C      -3.010942      3.455646     -1.387984
  C      -2.737866      2.971591     -0.093541
  N      -3.274022      1.863515      0.404114
  C      -4.120718      1.148344     -0.386161
  C      -3.937053      5.289050      5.746233
  C      -4.994246      5.518066      4.650559
  C      -4.435542      6.004303      3.312378
  O      -5.193294      5.503129      2.167158
  C      -6.448086      5.903003      1.843945
  C      -7.046291      7.070425      2.277930
  C      -8.303893      7.427363      1.741850
  N      -8.955664      6.748825      0.810919
  C      -8.379886      5.586681      0.384735
  C      -9.006607      4.838383     -0.645522
  C      -8.453647      3.640921     -1.043093
  C      -7.315924      3.159987     -0.362370
  N      -6.682665      3.826819      0.590979
  C      -7.163896      5.062821      0.921284
  C      -6.292211      1.826985      6.210717
  C      -7.090745      2.990407      6.842372
  C      -8.314042      3.366049      6.030879
  O      -7.890302      3.901811      4.742500
  C      -8.837899      3.790302      3.763432
  C      -9.787590      4.772681      3.573738
  C     -10.744381      4.619124      2.545114
  N     -10.829895      3.561543      1.754218
  C      -9.894018      2.584142      1.923121
  C      -9.924715      1.439568      1.088680
  C      -8.950051      0.475666      1.228022
  C      -7.926245      0.668792      2.182864
  N      -7.860109      1.718273      2.992673
  C      -8.842117      2.658544      2.891038
  H      -3.817496     -1.259515      5.291945
  H      -4.690996     -0.169809      4.197073
  H      -2.312065     -1.936418      3.389315
  H      -4.026561     -2.306484      3.117353
  H      -2.782043     -1.408444      1.100503
  H      -2.619240      0.161425      1.953893
  H      -6.252326     -1.507850     -0.241983
  H      -6.712425     -0.668712     -2.545160
  H      -4.133246      3.083067     -3.204818
  H      -2.557856      4.399054     -1.692381
  H      -2.076764      3.529843      0.575997
  H      -3.352151      6.218985      5.875061
  H      -4.497036      5.133749      6.691935
  H      -5.730913      6.243185      5.027769
  H      -5.536407      4.578302      4.483788
  H      -3.437480      5.587795      3.111340
  H      -4.375736      7.101392      3.255674
  H      -6.556553      7.723585      2.999430
  H      -8.779663      8.349119      2.090964
  H      -9.919243      5.237189     -1.089822
  H      -8.892662      3.036630     -1.838118
  H      -6.927717      2.167165     -0.600334
  H      -6.637610      0.871564      6.651146
  H      -6.511520      1.790092      5.136177
  H      -6.438993      3.873342      6.931934
  H      -7.437238      2.731142      7.854633
  H      -8.904663      4.141590      6.545965
  H      -8.964723      2.492119      5.860498
  H      -9.772262      5.660649      4.206932
  H     -11.462766      5.423277      2.363601
  H     -10.720310      1.361867      0.345976
  H      -8.933649     -0.414680      0.598290
  H      -7.116338     -0.061752      2.271472
  N      -4.386613      2.610584      3.436897
  N      -5.036355      2.894118      2.254049
  H      -6.062314      2.792999      2.369880
  H      -4.686593      2.232138      1.524661
  H      -4.853483      3.865391      1.930843
103
Coordinates from ORCA-job orca E -6485.286907380178
  N      -2.787687      0.455466      4.753851
  Mo     -3.569072      2.283284      5.006830
  N      -4.873722      1.926326      6.423034
  C      -4.406675      1.760195      7.799497
  C      -2.990725      1.195612      7.791973
  N      -2.160523      1.938902      6.806212
  C      -1.022791      1.135372      6.297452
  C      -1.511691      0.058819      5.312891
  C      -1.685485      3.248421      7.335780
  C      -1.722905      4.249602      6.178319
  N      -3.013480      4.161425      5.515205
  H      -0.735145     -0.065195      4.534549
  H      -1.609135     -0.924359      5.814807
  H      -0.354420      1.833665      5.775301
  H      -0.459786      0.693624      7.138286
  H      -1.531508      5.271126      6.549345
  H      -0.908262      4.006262      5.472030
  H      -2.370464      3.569354      8.132217
  H      -0.675473      3.143680      7.766936
  H      -5.069079      1.065463      8.346972
  H      -4.438834      2.723694      8.344762
  H      -3.016695      0.143876      7.477293
  H      -2.536369      1.245959      8.796927
  C      -3.694595     -0.622253      4.384688
  C      -3.265594     -1.469503      3.173365
  C      -3.180755     -0.721009      1.856170
  O      -4.548283     -0.392933      1.423978
  C      -4.749749      0.015856      0.142396
  C      -5.711113     -0.612718     -0.631585
  C      -5.999974     -0.117192     -1.923129
  N      -5.412695      0.928572     -2.487323
  C      -4.476454      1.577581     -1.737712
  C      -3.888000      2.768378     -2.234532
  C      -3.011552      3.475177     -1.438015
  C      -2.712924      2.986563     -0.149874
  N      -3.239606      1.879025      0.356261
  C      -4.103075      1.165815     -0.418323
  C      -3.927778      5.282458      5.720758
  C      -4.980969      5.513004      4.623941
  C      -4.416326      5.992290      3.288118
  O      -5.178545      5.501215      2.138953
  C      -6.430483      5.925060      1.832655
  C      -7.010172      7.094648      2.286434
  C      -8.267474      7.475599      1.764615
  N      -8.936490      6.819469      0.829679
  C      -8.380112      5.655539      0.382834
  C      -9.022582      4.927231     -0.652791
  C      -8.487334      3.728461     -1.071208
  C      -7.349397      3.225070     -0.406351
  N      -6.706705      3.873519      0.552279
  C      -7.166980      5.109098      0.904689
  C      -6.313109      1.836571      6.237802
  C      -7.095911      3.023953      6.841740
  C      -8.311406      3.391818      6.018902
  O      -7.871367      3.891084      4.721550
  C      -8.815561      3.759387      3.743012
  C      -9.762384      4.738291      3.520489
  C     -10.723111      4.552324      2.501081
  N     -10.819868      3.464327      1.753419
  C      -9.884929      2.491553      1.952878
  C      -9.930393      1.313940      1.166781
  C      -8.955667      0.354342      1.332453
  C      -7.916518      0.585726      2.261945
  N      -7.837060      1.665957      3.029386
  C      -8.822863      2.600609      2.907159
  H      -3.817169     -1.294452      5.259373
  H      -4.687031     -0.194293      4.177624
  H      -2.274067     -1.912266      3.362304
  H      -3.974928     -2.306208      3.064768
  H      -2.729043     -1.354158      1.077612
  H      -2.603433      0.207595      1.952225
  H      -6.253121     -1.472294     -0.236223
  H      -6.773783     -0.611360     -2.518382
  H      -4.176905      3.111211     -3.229257
  H      -2.566851      4.419223     -1.752590
  H      -2.038234      3.543509      0.507183
  H      -3.331760      6.205998      5.845072
  H      -4.494545      5.148153      6.666314
  H      -5.711484      6.243453      5.002907
  H      -5.535373      4.578840      4.462029
  H      -3.422569      5.565311      3.090488
  H      -4.345240      7.088447      3.228104
  H      -6.507377      7.732869      3.012129
  H      -8.727109      8.398751      2.131683
  H      -9.934100      5.342291     -1.084658
  H      -8.937459      3.137467     -1.870559
  H      -6.973137      2.231846     -0.660414
  H      -6.675131      0.892997      6.690827
  H      -6.524872      1.784603      5.161889
  H      -6.433481      3.900773      6.915136
  H      -7.447139      2.793991      7.859834
  H      -8.899616      4.183550      6.511952
  H      -8.967749      2.519508      5.862348
  H      -9.746837      5.648651      4.120939
  H     -11.437779      5.353627      2.293822
  H     -10.736736      1.209008      0.439182
  H      -8.952892     -0.561195      0.740174
  H      -7.106446     -0.142725      2.366753
  N      -4.392080      2.574935      3.443265
  N      -5.026160      2.859686      2.256270
  H      -6.059081      2.753172      2.343852
  H      -4.664481      2.213181      1.520310
  H      -4.858861      3.836300      1.932766
103
Coordinates from ORCA-job orca E -6485.291123716987
  N      -2.751515      0.454687      4.782670
  Mo     -3.570794      2.261562      5.039092
  N      -4.873231      1.908119      6.457904
  C      -4.411897      1.757491      7.836816
  C      -2.991068      1.206470      7.835745
  N      -2.165524      1.951221      6.847470
  C      -1.016046      1.158707      6.348089
  C      -1.481662      0.072985      5.364945
  C      -1.707656      3.271952      7.361288
  C      -1.733080      4.251964      6.187364
  N      -3.014635      4.150066      5.509458
  H      -0.690724     -0.050739      4.600784
  H      -1.577926     -0.908507      5.870841
  H      -0.352615      1.863532      5.828482
  H      -0.451489      0.727846      7.193578
  H      -1.547635      5.279189      6.545451
  H      -0.907406      4.002068      5.496254
  H      -2.404355      3.599398      8.144791
  H      -0.702511      3.181488      7.807542
  H      -5.069700      1.061519      8.388315
  H      -4.453147      2.724337      8.375658
  H      -3.005717      0.153250      7.525103
  H      -2.538591      1.265424      8.841248
  C      -3.631107     -0.637750      4.388261
  C      -3.171377     -1.459147      3.170827
  C      -3.108117     -0.698208      1.860288
  O      -4.488813     -0.421289      1.431066
  C      -4.720260     -0.019592      0.153542
  C      -5.710930     -0.647718     -0.583775
  C      -6.042324     -0.159247     -1.867467
  N      -5.470223      0.881770     -2.456795
  C      -4.507408      1.531074     -1.741816
  C      -3.941072      2.723783     -2.260533
  C      -3.044198      3.438123     -1.494345
  C      -2.701054      2.953396     -0.215177
  N      -3.202929      1.844546      0.309136
  C      -4.088089      1.124536     -0.434388
  C      -3.928600      5.274748      5.693086
  C      -4.977695      5.490798      4.591215
  C      -4.408035      5.960672      3.255746
  O      -5.171503      5.467694      2.108038
  C      -6.424748      5.901116      1.819418
  C      -7.000201      7.065823      2.291565
  C      -8.263619      7.451706      1.787257
  N      -8.943682      6.805623      0.852984
  C      -8.391853      5.647195      0.387056
  C      -9.045158      4.926119     -0.646330
  C      -8.513615      3.731655     -1.081697
  C      -7.365169      3.224841     -0.436546
  N      -6.714922      3.868567      0.520342
  C      -7.172052      5.098153      0.890576
  C      -6.310913      1.806775      6.259153
  C      -7.110350      2.985998      6.857286
  C      -8.332884      3.340966      6.038439
  O      -7.901240      3.868118      4.748961
  C      -8.852435      3.772984      3.772702
  C      -9.798722      4.760985      3.593560
  C     -10.759483      4.622345      2.566681
  N     -10.854552      3.570660      1.767886
  C      -9.917023      2.591658      1.920655
  C      -9.953880      1.458427      1.070786
  C      -8.970111      0.499532      1.182607
  C      -7.935469      0.686627      2.126495
  N      -7.866181      1.721279      2.955048
  C      -8.857702      2.655043      2.883056
  H      -3.747344     -1.324382      5.252281
  H      -4.632667     -0.232111      4.179837
  H      -2.167815     -1.873725      3.360628
  H      -3.850412     -2.319112      3.050875
  H      -2.635704     -1.310434      1.077408
  H      -2.565421      0.250043      1.960874
  H      -6.242925     -1.502078     -0.163699
  H      -6.839384     -0.651753     -2.432705
  H      -4.265801      3.062761     -3.245485
  H      -2.620273      4.385468     -1.826605
  H      -2.010271      3.516974      0.419240
  H      -3.331285      6.198588      5.808384
  H      -4.500482      5.159253      6.638439
  H      -5.710128      6.221801      4.965790
  H      -5.534009      4.556159      4.436970
  H      -3.414874      5.529539      3.063955
  H      -4.334215      7.056145      3.187086
  H      -6.492089      7.697933      3.018739
  H      -8.719256      8.370269      2.170509
  H      -9.963566      5.342135     -1.062639
  H      -8.972705      3.145079     -1.879001
  H      -6.989331      2.234254     -0.701776
  H      -6.670664      0.861852      6.711312
  H      -6.510963      1.749577      5.181233
  H      -6.460945      3.872161      6.934478
  H      -7.455950      2.750910      7.876389
  H      -8.932826      4.117801      6.540985
  H      -8.976163      2.460845      5.871480
  H      -9.785990      5.644870      4.232514
  H     -11.472868      5.433352      2.395884
  H     -10.757956      1.389524      0.336456
  H      -8.959231     -0.380584      0.538451
  H      -7.118514     -0.038940      2.190466
  N      -4.376221      2.530519      3.456501
  N      -4.997720      2.804101      2.262771
  H      -6.032073      2.681573      2.324257
  H      -4.617420      2.174087      1.524575
  H      -4.855767      3.785603      1.936496
103
Coordinates from ORCA-job orca E -6485.294594048481
  N      -2.747335      0.448732      4.800520
  Mo     -3.585898      2.240813      5.063997
  N      -4.886304      1.904604      6.488033
  C      -4.428087      1.766281      7.869015
  C      -3.008515      1.212489      7.871495
  N      -2.183195      1.949455      6.877724
  C      -1.031253      1.155116      6.386900
  C      -1.488996      0.064857      5.407099
  C      -1.727744      3.275375      7.376775
  C      -1.733535      4.235310      6.187473
  N      -3.009272      4.131582      5.498057
  H      -0.686339     -0.070492      4.657117
  H      -1.598635     -0.912447      5.918502
  H      -0.365127      1.857845      5.868151
  H      -0.469570      0.728339      7.236393
  H      -1.544806      5.266165      6.532932
  H      -0.901504      3.972098      5.509211
  H      -2.432834      3.617433      8.146352
  H      -0.728831      3.188620      7.838110
  H      -5.087064      1.076825      8.427207
  H      -4.466614      2.737755      8.399684
  H      -3.025791      0.157852      7.565649
  H      -2.554366      1.275239      8.876074
  C      -3.608398     -0.646425      4.371451
  C      -3.121408     -1.432136      3.141806
  C      -3.074755     -0.645036      1.846457
  O      -4.462475     -0.410080      1.413742
  C      -4.709077     -0.005424      0.140837
  C      -5.715423     -0.630508     -0.578387
  C      -6.067631     -0.143364     -1.856341
  N      -5.498856      0.892261     -2.458783
  C      -4.521032      1.538390     -1.762048
  C      -3.959055      2.727305     -2.294591
  C      -3.051381      3.444652     -1.544646
  C      -2.694326      2.967463     -0.266157
  N      -3.188318      1.860692      0.269051
  C      -4.082528      1.135913     -0.459453
  C      -3.913621      5.265537      5.672489
  C      -4.962980      5.477383      4.572513
  C      -4.387415      5.935397      3.237011
  O      -5.157839      5.447853      2.093073
  C      -6.405511      5.903429      1.816033
  C      -6.961817      7.073137      2.298818
  C      -8.223909      7.478388      1.806499
  N      -8.920968      6.845997      0.875515
  C      -8.388582      5.682675      0.399398
  C      -9.061607      4.973248     -0.628464
  C      -8.548584      3.774871     -1.074170
  C      -7.396660      3.253988     -0.446385
  N      -6.728984      3.886642      0.506272
  C      -7.170283      5.117588      0.888715
  C      -6.324838      1.811996      6.285864
  C      -7.117608      3.007701      6.858627
  C      -8.337962      3.348400      6.029874
  O      -7.898246      3.849516      4.732882
  C      -8.848087      3.751414      3.754821
  C      -9.790313      4.741563      3.566430
  C     -10.754250      4.595714      2.543466
  N     -10.856661      3.535131      1.757454
  C      -9.922025      2.554712      1.917665
  C      -9.968739      1.410459      1.082973
  C      -8.988076      0.449000      1.201259
  C      -7.947252      0.645034      2.135929
  N      -7.868927      1.689644      2.951181
  C      -8.858295      2.625474      2.875071
  H      -3.724339     -1.354907      5.217312
  H      -4.613933     -0.251765      4.161904
  H      -2.108290     -1.823305      3.330470
  H      -3.774157     -2.309111      3.001369
  H      -2.579269     -1.227385      1.055223
  H      -2.565042      0.318687      1.965594
  H      -6.241116     -1.483369     -0.147373
  H      -6.878638     -0.630590     -2.406188
  H      -4.296346      3.060949     -3.277123
  H      -2.631834      4.389085     -1.890476
  H      -1.995896      3.534447      0.356753
  H      -3.308330      6.185568      5.775560
  H      -4.482480      5.168052      6.621827
  H      -5.690970      6.213912      4.944798
  H      -5.526070      4.545700      4.424813
  H      -3.399054      5.491548      3.050072
  H      -4.300126      7.029596      3.163021
  H      -6.441519      7.696325      3.025007
  H      -8.664121      8.400726      2.198458
  H      -9.980656      5.400242     -1.032103
  H      -9.023771      3.195318     -1.867008
  H      -7.033167      2.261561     -0.720680
  H      -6.696147      0.877443      6.750033
  H      -6.519117      1.740836      5.207788
  H      -6.464662      3.892735      6.916671
  H      -7.462640      2.797589      7.883408
  H      -8.940054      4.134151      6.515699
  H      -8.980169      2.465094      5.875557
  H      -9.776544      5.631991      4.196175
  H     -11.466708      5.406358      2.367096
  H     -10.777789      1.335319      0.354785
  H      -8.985838     -0.439690      0.568780
  H      -7.131980     -0.082015      2.204369
  N      -4.382232      2.494547      3.472884
  N      -4.998628      2.759657      2.274353
  H      -6.033221      2.624291      2.319025
  H      -4.604228      2.143587      1.532492
  H      -4.874451      3.745851      1.950519
103
Coordinates from ORCA-job orca E -6485.297491365027
  N      -2.738452      0.446193      4.817783
  Mo     -3.596178      2.222859      5.086829
  N      -4.899303      1.901499      6.510543
  C      -4.448047      1.771411      7.895009
  C      -3.029549      1.215226      7.905114
  N      -2.202010      1.946774      6.909596
  C      -1.045861      1.150914      6.430480
  C      -1.495155      0.056942      5.453310
  C      -1.750542      3.276455      7.398869
  C      -1.732955      4.219012      6.196651
  N      -3.001042      4.113352      5.491655
  H      -0.679701     -0.093866      4.720335
  H      -1.624065     -0.914545      5.971300
  H      -0.374712      1.850842      5.914798
  H      -0.490562      0.726597      7.285377
  H      -1.543507      5.252946      6.531879
  H      -0.893361      3.944704      5.532639
  H      -2.467750      3.632281      8.150760
  H      -0.760568      3.192501      7.880054
  H      -5.109962      1.086861      8.455639
  H      -4.486311      2.746186      8.419409
  H      -3.049014      0.159816      7.601982
  H      -2.577049      1.279602      8.910286
  C      -3.579069     -0.652065      4.352993
  C      -3.063351     -1.404146      3.113903
  C      -3.036230     -0.594357      1.832044
  O      -4.430412     -0.406489      1.395710
  C      -4.697630     -0.002147      0.126940
  C      -5.716390     -0.633389     -0.570127
  C      -6.096069     -0.153417     -1.841826
  N      -5.543605      0.881876     -2.459660
  C      -4.556037      1.535504     -1.785025
  C      -4.013269      2.725971     -2.333600
  C      -3.099885      3.455985     -1.603799
  C      -2.717338      2.989848     -0.328608
  N      -3.189442      1.879641      0.219363
  C      -4.089181      1.141638     -0.489191
  C      -3.900050      5.253417      5.660712
  C      -4.950674      5.457854      4.562331
  C      -4.369820      5.904406      3.226012
  O      -5.145214      5.420395      2.085784
  C      -6.388083      5.892420      1.814260
  C      -6.934313      7.062371      2.308075
  C      -8.195155      7.480263      1.822910
  N      -8.900367      6.860072      0.889850
  C      -8.377042      5.697440      0.401945
  C      -9.059270      4.999181     -0.626783
  C      -8.553875      3.801732     -1.083206
  C      -7.399714      3.272154     -0.467066
  N      -6.723153      3.894623      0.486446
  C      -7.159831      5.122541      0.881238
  C      -6.338246      1.820185      6.304741
  C      -7.121124      3.029625      6.861053
  C      -8.340188      3.360991      6.026977
  O      -7.894382      3.843761      4.726019
  C      -8.845868      3.747064      3.749638
  C      -9.789647      4.736059      3.562726
  C     -10.756437      4.587094      2.542911
  N     -10.860156      3.524801      1.759434
  C      -9.923361      2.546294      1.917701
  C      -9.971686      1.399569      1.086441
  C      -8.988553      0.440103      1.202337
  C      -7.944034      0.640904      2.131357
  N      -7.864193      1.687694      2.943812
  C      -8.856239      2.620855      2.870858
  H      -3.694361     -1.380842      5.181148
  H      -4.587808     -0.268747      4.139067
  H      -2.040431     -1.768494      3.302943
  H      -3.688087     -2.298200      2.955483
  H      -2.515579     -1.144499      1.034036
  H      -2.563168      0.384619      1.969449
  H      -6.227881     -1.487842     -0.125625
  H      -6.916140     -0.645256     -2.373824
  H      -4.370484      3.050789     -3.312026
  H      -2.696159      4.401941     -1.963993
  H      -2.014570      3.567257      0.279505
  H      -3.290167      6.171732      5.750980
  H      -4.463268      5.169965      6.614763
  H      -5.676876      6.198336      4.929924
  H      -5.516223      4.526691      4.420535
  H      -3.385508      5.449580      3.044646
  H      -4.270438      6.997346      3.147782
  H      -6.409506      7.677075      3.038141
  H      -8.627897      8.402278      2.223783
  H      -9.979008      5.432499     -1.021860
  H      -9.037126      3.229698     -1.876507
  H      -7.040189      2.281575     -0.752602
  H      -6.721577      0.894060      6.775658
  H      -6.528153      1.742206      5.226251
  H      -6.463354      3.912135      6.902154
  H      -7.463464      2.839396      7.890471
  H      -8.944646      4.151518      6.501850
  H      -8.980175      2.474619      5.880725
  H      -9.777481      5.627321      4.191150
  H     -11.471157      5.395870      2.367092
  H     -10.784036      1.320831      0.362351
  H      -8.987950     -0.450413      0.572542
  H      -7.126072     -0.083260      2.198191
  N      -4.383690      2.464874      3.488477
  N      -4.994750      2.720074      2.284242
  H      -6.028298      2.565357      2.315057
  H      -4.580933      2.118217      1.542444
  H      -4.889001      3.711283      1.964757
103
Coordinates from ORCA-job orca E -6485.300035508761
  N      -2.728907      0.445633      4.832432
  Mo     -3.599715      2.210900      5.104171
  N      -4.904687      1.905308      6.528171
  C      -4.459104      1.784845      7.916011
  C      -3.041976      1.224593      7.933052
  N      -2.211693      1.947284      6.933496
  C      -1.054230      1.146018      6.465339
  C      -1.501641      0.047550      5.495272
  C      -1.760316      3.279963      7.411890
  C      -1.721079      4.205647      6.197743
  N      -2.983410      4.099583      5.480239
  H      -0.676697     -0.125698      4.778196
  H      -1.654184     -0.914871      6.023758
  H      -0.377114      1.839961      5.949674
  H      -0.505151      0.724078      7.325425
  H      -1.529301      5.242418      6.522281
  H      -0.876897      3.919656      5.545049
  H      -2.487878      3.651053      8.146238
  H      -0.779339      3.196969      7.911683
  H      -5.123871      1.105685      8.479688
  H      -4.497131      2.763503      8.432923
  H      -3.066182      0.167980      7.634247
  H      -2.589908      1.291133      8.938200
  C      -3.554380     -0.654024      4.339501
  C      -3.018613     -1.375525      3.090660
  C      -3.015779     -0.544782      1.822260
  O      -4.414696     -0.396346      1.385402
  C      -4.695030      0.010914      0.121025
  C      -5.721834     -0.620304     -0.565235
  C      -6.109577     -0.145497     -1.835699
  N      -5.556278      0.883251     -2.464330
  C      -4.562680      1.537654     -1.799948
  C      -4.016334      2.720206     -2.361591
  C      -3.098864      3.454463     -1.641399
  C      -2.717942      3.002199     -0.360810
  N      -3.190230      1.897083      0.197679
  C      -4.090926      1.152787     -0.502970
  C      -3.877772      5.245174      5.649901
  C      -4.934594      5.444037      4.557490
  C      -4.353881      5.879927      3.217777
  O      -5.137850      5.398640      2.084023
  C      -6.375128      5.888203      1.817896
  C      -6.903518      7.063867      2.317417
  C      -8.163903      7.495987      1.843815
  N      -8.885758      6.883049      0.918929
  C      -8.379959      5.714727      0.425452
  C      -9.083280      5.021838     -0.592284
  C      -8.594043      3.819772     -1.054176
  C      -7.433373      3.283040     -0.457228
  N      -6.736578      3.899631      0.486026
  C      -7.162082      5.129011      0.889115
  C      -6.343876      1.831654      6.318793
  C      -7.120790      3.055836      6.848553
  C      -8.338472      3.368084      6.004373
  O      -7.887862      3.822273      4.695090
  C      -8.844495      3.727371      3.723420
  C      -9.787802      4.717690      3.541850
  C     -10.762428      4.568188      2.529419
  N     -10.873272      3.504910      1.748260
  C      -9.936569      2.525478      1.900613
  C      -9.994240      1.376114      1.073458
  C      -9.012970      0.414070      1.184426
  C      -7.960569      0.615546      2.103819
  N      -7.871079      1.665385      2.911845
  C      -8.862058      2.600380      2.845463
  H      -3.666889     -1.400472      5.151758
  H      -4.565641     -0.278526      4.124864
  H      -1.986324     -1.714793      3.274991
  H      -3.618719     -2.283831      2.919079
  H      -2.475247     -1.062059      1.015698
  H      -2.575439      0.446262      1.978179
  H      -6.230066     -1.473062     -0.113692
  H      -6.935336     -0.636781     -2.359376
  H      -4.373448      3.035448     -3.343205
  H      -2.691218      4.393709     -2.014610
  H      -2.013667      3.584496      0.240721
  H      -3.263025      6.161664      5.725334
  H      -4.430199      5.173626      6.611082
  H      -5.658515      6.187998      4.922777
  H      -5.501746      4.513110      4.422008
  H      -3.374204      5.414600      3.038906
  H      -4.242921      6.971579      3.135439
  H      -6.366950      7.672832      3.043711
  H      -8.582844      8.422576      2.248873
  H     -10.005505      5.461818     -0.973964
  H      -9.095177      3.250921     -1.838659
  H      -7.084313      2.291123     -0.750485
  H      -6.737236      0.915908      6.801350
  H      -6.528510      1.740052      5.240412
  H      -6.460169      3.937007      6.865794
  H      -7.461149      2.893058      7.883213
  H      -8.946884      4.166201      6.461022
  H      -8.975025      2.476571      5.874045
  H      -9.770937      5.609313      4.169770
  H     -11.479523      5.376067      2.358786
  H     -10.812889      1.296625      0.356506
  H      -9.019741     -0.479187      0.558552
  H      -7.143368     -0.109839      2.166792
  N      -4.389393      2.441875      3.505812
  N      -5.004825      2.684372      2.300281
  H      -6.035976      2.508219      2.332254
  H      -4.575907      2.095267      1.556616
  H      -4.919147      3.679570      1.983193
103
Coordinates from ORCA-job orca E -6485.302346128340
  N      -2.716015      0.445555      4.846508
  Mo     -3.600739      2.200192      5.120421
  N      -4.910740      1.904947      6.540878
  C      -4.473153      1.790257      7.932359
  C      -3.057156      1.227788      7.958363
  N      -2.222861      1.945194      6.958624
  C      -1.062283      1.141003      6.502196
  C      -1.506197      0.038761      5.537620
  C      -1.773772      3.280050      7.430849
  C      -1.712313      4.192568      6.208300
  N      -2.967068      4.086928      5.475672
  H      -0.671904     -0.156521      4.837451
  H      -1.683052     -0.914167      6.075713
  H      -0.379701      1.830753      5.988360
  H      -0.520397      0.721022      7.367785
  H      -1.519699      5.231458      6.525028
  H      -0.863016      3.897266      5.566983
  H      -2.513218      3.663102      8.146977
  H      -0.803041      3.197849      7.950491
  H      -5.141622      1.114166      8.495189
  H      -4.513288      2.771173      8.444463
  H      -3.084219      0.170569      7.661609
  H      -2.608084      1.295064      8.964683
  C      -3.524344     -0.655763      4.324619
  C      -2.966292     -1.349600      3.069654
  C      -2.985724     -0.502151      1.812735
  O      -4.388793     -0.394338      1.376556
  C      -4.689681      0.010185      0.116114
  C      -5.723112     -0.630960     -0.551603
  C      -6.131872     -0.166784     -1.818667
  N      -5.594667      0.861833     -2.461303
  C      -4.598066      1.528020     -1.814059
  C      -4.068444      2.710518     -2.390979
  C      -3.150611      3.459218     -1.686685
  C      -2.753089      3.022184     -0.405834
  N      -3.206308      1.915158      0.164939
  C      -4.105695      1.155607     -0.520657
  C      -3.859690      5.235627      5.647440
  C      -4.921372      5.429189      4.559926
  C      -4.340152      5.858262      3.218178
  O      -5.128575      5.380039      2.087762
  C      -6.362104      5.879900      1.821940
  C      -6.885901      7.054145      2.329422
  C      -8.145608      7.492958      1.859560
  N      -8.870638      6.887965      0.931939
  C      -8.367466      5.722498      0.428787
  C      -9.074379      5.037555     -0.591813
  C      -8.586799      3.837960     -1.062246
  C      -7.424256      3.297424     -0.473157
  N      -6.723635      3.906500      0.472136
  C      -7.149854      5.131729      0.885622
  C      -6.350008      1.840682      6.327634
  C      -7.117311      3.077567      6.840680
  C      -8.335281      3.380567      5.993255
  O      -7.882138      3.812616      4.677811
  C      -8.845178      3.721154      3.712039
  C      -9.793560      4.708965      3.542624
  C     -10.774932      4.560200      2.537018
  N     -10.888386      3.499506      1.752703
  C      -9.947227      2.522687      1.893394
  C     -10.007618      1.376092      1.062634
  C      -9.022034      0.416933      1.161768
  C      -7.962751      0.618975      2.072473
  N      -7.869155      1.667238      2.882608
  C      -8.864753      2.598479      2.829000
  H      -3.635611     -1.417010      5.122688
  H      -4.537362     -0.288593      4.105128
  H      -1.925741     -1.663253      3.251853
  H      -3.541670     -2.271519      2.886360
  H      -2.425912     -0.987491      0.999678
  H      -2.577468      0.499629      1.985979
  H      -6.218633     -1.484996     -0.088329
  H      -6.961149     -0.667268     -2.327861
  H      -4.438502      3.014095     -3.371446
  H      -2.755029      4.398080     -2.073600
  H      -2.049835      3.617088      0.184284
  H      -3.242303      6.151359      5.710730
  H      -4.402115      5.171882      6.614575
  H      -5.645206      6.174495      4.922270
  H      -5.487417      4.497240      4.427816
  H      -3.363797      5.385285      3.041732
  H      -4.220450      6.948899      3.134611
  H      -6.348221      7.656538      3.060243
  H      -8.561641      8.418074      2.270924
  H      -9.997404      5.480421     -0.967948
  H      -9.091908      3.274987     -1.848313
  H      -7.074452      2.308843     -0.777378
  H      -6.753612      0.933346      6.817251
  H      -6.530887      1.741281      5.249400
  H      -6.451126      3.954584      6.837644
  H      -7.453443      2.936050      7.879648
  H      -8.943613      4.185082      6.438490
  H      -8.971679      2.487081      5.875088
  H      -9.774619      5.597938      4.174154
  H     -11.494884      5.366962      2.373581
  H     -10.831819      1.295956      0.352168
  H      -9.029744     -0.474463      0.533215
  H      -7.142445     -0.103308      2.126319
  N      -4.391867      2.424108      3.519873
  N      -5.008433      2.657109      2.311883
  H      -6.036194      2.453841      2.342934
  H      -4.559551      2.083944      1.568244
  H      -4.943107      3.656655      2.000710
103
Coordinates from ORCA-job orca E -6485.304501553192
  N      -2.705825      0.444617      4.858941
  Mo     -3.599469      2.193316      5.134417
  N      -4.912803      1.908275      6.553097
  C      -4.480983      1.800091      7.947396
  C      -3.066523      1.234235      7.980287
  N      -2.228538      1.944052      6.978411
  C      -1.067550      1.134572      6.531276
  C      -1.513044      0.028184      5.575112
  C      -1.778405      3.280840      7.443265
  C      -1.697448      4.180674      6.213033
  N      -2.946726      4.077953      5.468858
  H      -0.672651     -0.191982      4.890008
  H      -1.714573     -0.913433      6.124607
  H      -0.380409      1.818753      6.016223
  H      -0.530915      0.717114      7.401382
  H      -1.501005      5.221273      6.521455
  H      -0.845867      3.874457      5.580317
  H      -2.526870      3.676146      8.143309
  H      -0.816745      3.198120      7.979496
  H      -5.152792      1.127481      8.510349
  H      -4.522248      2.783511      8.454320
  H      -3.097864      0.176054      7.686921
  H      -2.618805      1.303083      8.987023
  C      -3.501108     -0.657086      4.313519
  C      -2.926859     -1.324543      3.051588
  C      -2.970034     -0.462260      1.805484
  O      -4.375841     -0.388379      1.371050
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  C      -5.725280     -0.632432     -0.545340
  C      -6.140961     -0.176574     -1.812925
  N      -5.607631      0.848213     -2.465363
  C      -4.611582      1.521925     -1.825262
  C      -4.082713      2.698553     -2.414504
  C      -3.167621      3.456748     -1.716786
  C      -2.775073      3.037364     -0.428387
  N      -3.224749      1.933980      0.152400
  C      -4.117219      1.162579     -0.528745
  C      -3.836729      5.230240      5.644705
  C      -4.906165      5.420500      4.564864
  C      -4.328845      5.841403      3.218577
  O      -5.125501      5.365762      2.093842
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  C      -8.126449      7.503156      1.875347
  N      -8.861463      6.901932      0.953184
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  C      -9.087803      5.051092     -0.567174
  C      -8.608838      3.849410     -1.041734
  C      -7.440740      3.306539     -0.466483
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  C      -7.149443      5.137178      0.892693
  C      -6.352115      1.850856      6.335824
  C      -7.111604      3.101886      6.824554
  C      -8.328859      3.391196      5.970902
  O      -7.871989      3.792396      4.646931
  C      -8.841729      3.704872      3.687244
  C      -9.793827      4.691470      3.530302
  C     -10.782909      4.544993      2.532284
  N     -10.900719      3.487257      1.744449
  C      -9.956781      2.511445      1.873380
  C     -10.024285      1.366539      1.040754
  C      -9.038466      0.406462      1.130348
  C      -7.971502      0.606738      2.031852
  N      -7.869392      1.654615      2.841972
  C      -8.865997      2.585938      2.799738
  H      -3.609905     -1.431188      5.099012
  H      -4.515803     -0.296282      4.092260
  H      -1.878566     -1.614154      3.228515
  H      -3.480020     -2.258161      2.859159
  H      -2.395409     -0.917198      0.985381
  H      -2.589266      0.547699      1.994853
  H      -6.215076     -1.486774     -0.076414
  H      -6.971132     -0.682519     -2.315252
  H      -4.450405      2.989739     -3.399638
  H      -2.770439      4.389901     -2.115865
  H      -2.077149      3.642260      0.157874
  H      -3.215487      6.144376      5.694629
  H      -4.366976      5.174257      6.618754
  H      -5.627841      6.168367      4.926192
  H      -5.472731      4.488163      4.437820
  H      -3.356944      5.359874      3.041600
  H      -4.200028      6.930841      3.132206
  H      -6.322331      7.654009      3.067999
  H      -8.534174      8.431082      2.288857
  H     -10.013047      5.497014     -0.934173
  H      -9.125126      3.287975     -1.821706
  H      -7.095373      2.318471     -0.777806
  H      -6.764851      0.953769      6.836327
  H      -6.528489      1.737820      5.258262
  H      -6.440029      3.974266      6.797635
  H      -7.444996      2.987000      7.867554
  H      -8.936236      4.205538      6.399058
  H      -8.966599      2.496392      5.870101
  H      -9.770904      5.577228      4.166309
  H     -11.506621      5.350491      2.379017
  H     -10.854605      1.287444      0.337290
  H      -9.050764     -0.484760      0.501545
  H      -7.151629     -0.116259      2.078250
  N      -4.400299      2.411291      3.537386
  N      -5.024809      2.634501      2.330539
  H      -6.047705      2.401716      2.371742
  H      -4.560306      2.077471      1.583631
  H      -4.982614      3.637270      2.023737
103
Coordinates from ORCA-job orca E -6485.306504048322
  N      -2.697922      0.442318      4.870707
  Mo     -3.598147      2.187822      5.148500
  N      -4.914649      1.910712      6.565478
  C      -4.487836      1.807603      7.961933
  C      -3.075014      1.238737      8.000691
  N      -2.233831      1.941812      6.997096
  C      -1.073072      1.127432      6.557200
  C      -1.521476      0.017022      5.609481
  C      -1.782403      3.280227      7.455869
  C      -1.683728      4.169034      6.219524
  N      -2.927972      4.070904      5.465120
  H      -0.676404     -0.226812      4.938463
  H      -1.745924     -0.913219      6.169719
  H      -0.382991      1.806640      6.039631
  H      -0.539874      0.712953      7.430851
  H      -1.482030      5.210709      6.520707
  H      -0.830853      3.851739      5.594422
  H      -2.538533      3.685792      8.141811
  H      -0.828844      3.196882      8.006277
  H      -5.162882      1.137941      8.524458
  H      -4.529866      2.792897      8.464933
  H      -3.109915      0.179690      7.710615
  H      -2.628506      1.309398      9.007775
  C      -3.481353     -0.658705      4.303405
  C      -2.893204     -1.301063      3.035059
  C      -2.959070     -0.426454      1.798376
  O      -4.366648     -0.383111      1.366437
  C      -4.694206      0.017706      0.111978
  C      -5.726036     -0.642347     -0.540441
  C      -6.149129     -0.197172     -1.809260
  N      -5.624095      0.826236     -2.470704
  C      -4.632687      1.512406     -1.836717
  C      -4.109546      2.685434     -2.438026
  C      -3.201471      3.457404     -1.746306
  C      -2.813240      3.057580     -0.450211
  N      -3.254804      1.956059      0.140417
  C      -4.136195      1.168556     -0.536755
  C      -3.815110      5.226430      5.644966
  C      -4.891711      5.414322      4.572492
  C      -4.318741      5.829460      3.222565
  O      -5.121421      5.355470      2.102102
  C      -6.346502      5.876146      1.835699
  C      -6.856271      7.053180      2.350290
  C      -8.115286      7.504268      1.889085
  N      -8.852885      6.906963      0.966413
  C      -8.361389      5.740323      0.453909
  C      -9.084124      5.061263     -0.559899
  C      -8.606237      3.861282     -1.040237
  C      -7.434836      3.317755     -0.472462
  N      -6.719798      3.920877      0.465787
  C      -7.141670      5.141718      0.894617
  C      -6.353961      1.860771      6.344621
  C      -7.103798      3.125411      6.812224
  C      -8.320743      3.405618      5.955100
  O      -7.861109      3.775029      4.622633
  C      -8.837538      3.691441      3.669216
  C      -9.796540      4.674197      3.528058
  C     -10.793572      4.529455      2.538453
  N     -10.913836      3.475642      1.745490
  C      -9.964380      2.503387      1.859763
  C     -10.037286      1.361580      1.023296
  C      -9.048226      0.403421      1.099855
  C      -7.972357      0.603600      1.990039
  N      -7.863083      1.650023      2.801756
  C      -8.863821      2.578371      2.774870
  H      -3.588073     -1.444332      5.077230
  H      -4.497542     -0.303557      4.080542
  H      -1.838085     -1.567844      3.206764
  H      -3.425502     -2.245023      2.834421
  H      -2.372521     -0.854330      0.972283
  H      -2.602550      0.589936      2.000931
  H      -6.206826     -1.499057     -0.066511
  H      -6.976727     -0.713023     -2.305691
  H      -4.475419      2.962431     -3.427911
  H      -2.806662      4.386398     -2.157411
  H      -2.124699      3.676096      0.132899
  H      -3.190365      6.138933      5.683239
  H      -4.334397      5.176864      6.624965
  H      -5.611776      6.163816      4.933611
  H      -5.458261      4.481427      4.449224
  H      -3.350226      5.341864      3.044676
  H      -4.183776      6.918008      3.134040
  H      -6.309947      7.646536      3.082128
  H      -8.520731      8.431678      2.306015
  H     -10.010830      5.508108     -0.922055
  H      -9.125972      3.302194     -1.819627
  H      -7.088294      2.332525     -0.791748
  H      -6.775646      0.973683      6.855103
  H      -6.526785      1.735131      5.268014
  H      -6.425727      3.991577      6.763498
  H      -7.433683      3.034919      7.858636
  H      -8.923464      4.231277      6.367600
  H      -8.963324      2.512386      5.871898
  H      -9.771270      5.555610      4.170042
  H     -11.521922      5.332900      2.396714
  H     -10.874618      1.282578      0.328226
  H      -9.063793     -0.486312      0.469058
  H      -7.150858     -0.117821      2.025857
  N      -4.409221      2.401737      3.555230
  N      -5.040379      2.616795      2.349405
  H      -6.058092      2.353612      2.400360
  H      -4.560567      2.076486      1.599211
  H      -5.020734      3.622101      2.047007
103
Coordinates from ORCA-job orca E -6485.308365685658
  N      -2.694088      0.438967      4.882559
  Mo     -3.596542      2.184554      5.164676
  N      -4.915016      1.915079      6.581200
  C      -4.491730      1.816949      7.979087
  C      -3.081022      1.243777      8.022025
  N      -2.237097      1.938953      7.015499
  C      -1.078788      1.118138      6.580185
  C      -1.533439      0.004291      5.641385
  C      -1.782275      3.278552      7.468062
  C      -1.668200      4.157326      6.226313
  N      -2.908957      4.066077      5.464447
  H      -0.685255     -0.263125      4.983471
  H      -1.780166     -0.914244      6.211785
  H      -0.386588      1.791569      6.058015
  H      -0.547080      0.706562      7.456126
  H      -1.458603      5.199380      6.520748
  H      -0.815725      3.827882      5.607310
  H      -2.543629      3.693556      8.142607
  H      -0.835154      3.193926      8.029330
  H      -5.170005      1.150994      8.542090
  H      -4.532758      2.804114      8.478344
  H      -3.120248      0.183698      7.736304
  H      -2.634572      1.316882      9.028920
  C      -3.467623     -0.659715      4.294710
  C      -2.868231     -1.277849      3.019788
  C      -2.956016     -0.393057      1.791483
  O      -4.364373     -0.378485      1.361550
  C      -4.701874      0.017769      0.108194
  C      -5.725762     -0.657405     -0.541187
  C      -6.154124     -0.222573     -1.811863
  N      -5.638181      0.801232     -2.479749
  C      -4.655310      1.502039     -1.848422
  C      -4.138580      2.672790     -2.459593
  C      -3.242447      3.460722     -1.770335
  C      -2.863747      3.081774     -0.464948
  N      -3.296923      1.981192      0.133761
  C      -4.161174      1.174787     -0.543439
  C      -3.791482      5.225625      5.648119
  C      -4.875804      5.412306      4.583557
  C      -4.308998      5.821163      3.229238
  O      -5.118446      5.347683      2.113629
  C      -6.339426      5.876637      1.845248
  C      -6.845930      7.054018      2.361954
  C      -8.104249      7.508693      1.901939
  N      -8.844690      6.913636      0.980093
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  C      -9.082448      5.069120     -0.547232
  C      -8.606316      3.869800     -1.031267
  C      -7.430635      3.327123     -0.471354
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  C      -7.134737      5.147473      0.900095
  C      -6.354235      1.872370      6.356441
  C      -7.094183      3.151857      6.797939
  C      -8.309451      3.422179      5.935321
  O      -7.845586      3.752311      4.593620
  C      -8.827444      3.673112      3.645251
  C      -9.793780      4.651544      3.519872
  C     -10.797651      4.509202      2.537694
  N     -10.918730      3.460354      1.738065
  C      -9.963483      2.492300      1.837652
  C     -10.041596      1.354067      0.996794
  C      -9.050133      0.397264      1.061047
  C      -7.966133      0.596583      1.940705
  N      -7.849950      1.641184      2.754555
  C      -8.854226      2.567071      2.742767
  H      -3.572351     -1.456458      5.056981
  H      -4.485240     -0.309200      4.071462
  H      -1.807047     -1.522843      3.186265
  H      -3.380663     -2.231068      2.811334
  H      -2.359297     -0.797070      0.960676
  H      -2.622099      0.628949      2.004473
  H      -6.195602     -1.518890     -0.065010
  H      -6.976665     -0.749481     -2.304968
  H      -4.499368      2.934809     -3.455397
  H      -2.850577      4.386253     -2.192099
  H      -2.189784      3.716165      0.118094
  H      -3.162492      6.135786      5.675155
  H      -4.300219      5.182851      6.633788
  H      -5.593032      6.163992      4.945699
  H      -5.443548      4.479474      4.465072
  H      -3.343875      5.327881      3.049626
  H      -4.168803      6.908782      3.137153
  H      -6.297780      7.643616      3.095508
  H      -8.507064      8.436494      2.320586
  H     -10.010978      5.516064     -0.904660
  H      -9.129780      3.310762     -1.808270
  H      -7.083282      2.343980     -0.796387
  H      -6.785182      0.997160      6.879280
  H      -6.522951      1.730516      5.281386
  H      -6.409076      4.010743      6.726946
  H      -7.422061      3.088638      7.846910
  H      -8.904846      4.262568      6.327917
  H      -8.959915      2.532909      5.873122
  H      -9.767849      5.527659      4.169064
  H     -11.531848      5.309510      2.408799
  H     -10.885416      1.275917      0.309595
  H      -9.069776     -0.490821      0.428167
  H      -7.143627     -0.123726      1.966546
  N      -4.420115      2.396367      3.577689
  N      -5.059072      2.604033      2.374291
  H      -6.072066      2.312615      2.436970
  H      -4.567134      2.079986      1.619125
  H      -5.060147      3.610778      2.075057
103
Coordinates from ORCA-job orca E -6485.310113082855
  N      -2.697672      0.433245      4.891572
  Mo     -3.597936      2.181438      5.178404
  N      -4.915506      1.921790      6.597734
  C      -4.492542      1.829833      7.995983
  C      -3.084590      1.250767      8.040704
  N      -2.239747      1.936053      7.028428
  C      -1.086467      1.106917      6.595000
  C      -1.551338     -0.010583      5.667214
  C      -1.778973      3.276528      7.472875
  C      -1.653711      4.145170      6.225491
  N      -2.893477      4.061457      5.460680
  H      -0.702119     -0.302063      5.020928
  H      -1.819195     -0.916597      6.248199
  H      -0.393171      1.773010      6.064981
  H      -0.553633      0.698770      7.471849
  H      -1.434135      5.187178      6.512837
  H      -0.803773      3.802957      5.610252
  H      -2.542266      3.700858      8.139414
  H      -0.835817      3.190602      8.040657
  H      -5.173594      1.169453      8.562134
  H      -4.529651      2.819498      8.490490
  H      -3.129421      0.189222      7.761526
  H      -2.635876      1.327867      9.046260
  C      -3.463655     -0.661921      4.286300
  C      -2.854814     -1.257597      3.005457
  C      -2.962389     -0.364251      1.784787
  O      -4.370125     -0.374806      1.354778
  C      -4.710558      0.017248      0.100792
  C      -5.721983     -0.672380     -0.552666
  C      -6.146847     -0.246650     -1.827681
  N      -5.634381      0.777322     -2.497904
  C      -4.663403      1.491270     -1.862706
  C      -4.146097      2.658396     -2.480266
  C      -3.264826      3.460165     -1.787698
  C      -2.906136      3.101492     -0.470870
  N      -3.337871      2.003207      0.133186
  C      -4.181707      1.179826     -0.549580
  C      -3.769535      5.225641      5.649644
  C      -4.863026      5.412254      4.594848
  C      -4.304314      5.816761      3.236284
  O      -5.119702      5.342014      2.125891
  C      -6.338110      5.875468      1.856971
  C      -6.846571      7.049444      2.379195
  C      -8.105024      7.504720      1.919869
  N      -8.844155      6.912912      0.994916
  C      -8.352611      5.750627      0.472716
  C      -9.077980      5.074868     -0.541250
  C      -8.598558      3.879501     -1.031787
  C      -7.418785      3.339075     -0.477763
  N      -6.701709      3.940336      0.459616
  C      -7.129351      5.152252      0.904232
  C      -6.355076      1.888417      6.372984
  C      -7.080865      3.184412      6.787938
  C      -8.296170      3.446451      5.923228
  O      -7.831237      3.730205      4.571075
  C      -8.819711      3.654559      3.629516
  C      -9.795536      4.626369      3.522081
  C     -10.807285      4.484645      2.548820
  N     -10.928001      3.440874      1.742113
  C      -9.964602      2.479523      1.824936
  C     -10.046041      1.345076      0.979207
  C      -9.049253      0.392529      1.028657
  C      -7.956293      0.593719      1.895750
  N      -7.835236      1.636311      2.712159
  C      -8.845593      2.556583      2.718102
  H      -3.566638     -1.469205      5.037321
  H      -4.482486     -0.314761      4.063758
  H      -1.788519     -1.482413      3.167704
  H      -3.348710     -2.218805      2.789312
  H      -2.356692     -0.747875      0.950788
  H      -2.649303      0.662680      2.006299
  H      -6.183805     -1.538934     -0.077905
  H      -6.961225     -0.783469     -2.323527
  H      -4.494068      2.906118     -3.484233
  H      -2.870613      4.380981     -2.217638
  H      -2.249991      3.750348      0.116464
  H      -3.136064      6.133081      5.665647
  H      -4.267014      5.189421      6.641242
  H      -5.577058      6.165443      4.960379
  H      -5.432045      4.479690      4.481386
  H      -3.341342      5.320450      3.054183
  H      -4.161997      6.903787      3.140494
  H      -6.300082      7.634683      3.117522
  H      -8.509381      8.429871      2.342860
  H     -10.008776      5.520120     -0.894946
  H      -9.121605      3.321266     -1.809642
  H      -7.067103      2.359878     -0.810017
  H      -6.795232      1.027479      6.911306
  H      -6.523271      1.728291      5.300753
  H      -6.387237      4.033882      6.692493
  H      -7.403881      3.150631      7.839725
  H      -8.879027      4.304888      6.294622
  H      -8.958538      2.564544      5.887050
  H      -9.770142      5.496994      4.178649
  H     -11.548754      5.280325      2.433634
  H     -10.897189      1.265898      0.301331
  H      -9.072062     -0.493349      0.392897
  H      -7.130290     -0.122438      1.909538
  N      -4.434458      2.390819      3.598015
  N      -5.080040      2.592344      2.396740
  H      -6.089889      2.276208      2.466266
  H      -4.577185      2.085103      1.635606
  H      -5.098406      3.600255      2.101525
103
Coordinates from ORCA-job orca E -6485.311761273042
  N      -2.703822      0.427008      4.902903
  Mo     -3.599657      2.178322      5.196744
  N      -4.915722      1.928569      6.619393
  C      -4.492384      1.843647      8.017794
  C      -3.087460      1.257479      8.063903
  N      -2.241770      1.931623      7.044854
  C      -1.095018      1.093051      6.611675
  C      -1.571698     -0.026784      5.694088
  C      -1.773154      3.272181      7.481336
  C      -1.638785      4.131348      6.228739
  N      -2.878940      4.056525      5.463173
  H      -0.722139     -0.341600      5.059166
  H      -1.860599     -0.920498      6.284085
  H      -0.400661      1.751262      6.073221
  H      -0.560208      0.687371      7.488467
  H      -1.407586      5.172717      6.509389
  H      -0.792648      3.775959      5.616000
  H      -2.536236      3.705680      8.142184
  H      -0.832545      3.184169      8.053115
  H      -5.176305      1.189866      8.588065
  H      -4.524351      2.836126      8.506977
  H      -3.138708      0.194289      7.792525
  H      -2.635750      1.339255      9.067708
  C      -3.461614     -0.663407      4.278499
  C      -2.842510     -1.236230      2.992121
  C      -2.968268     -0.334185      1.779481
  O      -4.375325     -0.370114      1.349842
  C      -4.722172      0.015592      0.095131
  C      -5.718805     -0.694270     -0.559060
  C      -6.149653     -0.278130     -1.835276
  N      -5.651895      0.751278     -2.507861
  C      -4.694901      1.483725     -1.872488
  C      -4.190502      2.653304     -2.495874
  C      -3.327942      3.474638     -1.802759
  C      -2.979374      3.135392     -0.478015
  N      -3.396793      2.033942      0.130664
  C      -4.216346      1.188311     -0.554691
  C      -3.745999      5.226958      5.656769
  C      -4.846654      5.416492      4.610332
  C      -4.293810      5.816489      3.248399
  O      -5.113736      5.340898      2.142018
  C      -6.328062      5.880553      1.869417
  C      -6.837064      7.053163      2.394166
  C      -8.094254      7.510418      1.933175
  N      -8.832661      6.920877      1.006223
  C      -8.340816      5.759988      0.481167
  C      -9.066566      5.084889     -0.532914
  C      -8.585868      3.891490     -1.027166
  C      -7.402429      3.353379     -0.478501
  N      -6.685315      3.954224      0.458943
  C      -7.116309      5.162232      0.910275
  C      -6.355671      1.903818      6.393970
  C      -7.066923      3.218204      6.773314
  C      -8.280045      3.470069      5.902298
  O      -7.811702      3.695025      4.539882
  C      -8.803950      3.624544      3.601988
  C      -9.786419      4.592008      3.507196
  C     -10.802114      4.452508      2.538642
  N     -10.921271      3.414081      1.724558
  C      -9.952849      2.457190      1.795833
  C     -10.037194      1.325857      0.946277
  C      -9.039028      0.374082      0.987179
  C      -7.941076      0.574127      1.847230
  N      -7.815942      1.615328      2.665584
  C      -8.828479      2.533850      2.682644
  H      -3.563512     -1.481886      5.017209
  H      -4.481411     -0.319295      4.056118
  H      -1.771967     -1.441726      3.151872
  H      -3.317798     -2.204642      2.766673
  H      -2.354120     -0.698313      0.942847
  H      -2.676052      0.697077      2.009369
  H      -6.163800     -1.569789     -0.084739
  H      -6.955039     -0.828694     -2.330556
  H      -4.533350      2.886875     -3.504979
  H      -2.942248      4.395570     -2.240275
  H      -2.344390      3.802754      0.111746
  H      -3.106532      6.130408      5.663394
  H      -4.233946      5.197768      6.653352
  H      -5.556450      6.171982      4.979256
  H      -5.418488      4.485361      4.500980
  H      -3.332966      5.316549      3.065508
  H      -4.148696      6.902836      3.148867
  H      -6.292129      7.634856      3.136468
  H      -8.498829      8.434692      2.357914
  H      -9.998992      5.528990     -0.883873
  H      -9.109150      3.332714     -1.804573
  H      -7.047683      2.376842     -0.815735
  H      -6.805787      1.060625      6.951485
  H      -6.522686      1.720104      5.325701
  H      -6.363517      4.055942      6.651201
  H      -7.387321      3.219725      7.826422
  H      -8.846618      4.350816      6.245036
  H      -8.958115      2.599425      5.897181
  H      -9.763075      5.457730      4.170189
  H     -11.549337      5.244270      2.434261
  H     -10.892620      1.247688      0.273772
  H      -9.065962     -0.510289      0.349661
  H      -7.113924     -0.140421      1.854173
  N      -4.449256      2.386232      3.623676
  N      -5.100233      2.582633      2.424762
  H      -6.109189      2.246124      2.497466
  H      -4.588337      2.091562      1.657186
  H      -5.131869      3.591223      2.133958
103
Coordinates from ORCA-job orca E -6485.313296560141
  N      -2.718967      0.418332      4.904486
  Mo     -3.608934      2.173297      5.205049
  N      -4.919725      1.935079      6.635232
  C      -4.491387      1.857061      8.032313
  C      -3.089626      1.263963      8.076613
  N      -2.246623      1.927407      7.048424
  C      -1.107653      1.079735      6.612850
  C      -1.598331     -0.043187      5.708011
  C      -1.769699      3.268099      7.475456
  C      -1.632336      4.118285      6.217439
  N      -2.875711      4.050532      5.456080
  H      -0.750288     -0.380619      5.082592
  H      -1.905523     -0.924159      6.307883
  H      -0.414365      1.729675      6.063005
  H      -0.567747      0.677560      7.488117
  H      -1.389821      5.158977      6.491107
  H      -0.791648      3.751248      5.604260
  H      -2.529908      3.709608      8.134247
  H      -0.828952      3.178995      8.046916
  H      -5.176824      1.210915      8.609324
  H      -4.515767      2.852578      8.515755
  H      -3.147210      0.198950      7.814175
  H      -2.632316      1.351587      9.077321
  C      -3.469498     -0.668752      4.265854
  C      -2.840258     -1.223149      2.976177
  C      -2.979911     -0.316664      1.768404
  O      -4.384133     -0.373953      1.333254
  C      -4.723820      0.007833      0.075058
  C      -5.701489     -0.715451     -0.592750
  C      -6.119293     -0.304662     -1.875132
  N      -5.620365      0.727238     -2.542955
  C      -4.680774      1.471074     -1.894744
  C      -4.171714      2.639534     -2.516285
  C      -3.331135      3.473091     -1.810573
  C      -3.013911      3.149615     -0.474163
  N      -3.433580      2.047920      0.132671
  C      -4.225678      1.187509     -0.566423
  C      -3.734224      5.225996      5.656613
  C      -4.842973      5.418064      4.619606
  C      -4.296876      5.817396      3.255332
  O      -5.118407      5.338030      2.152876
  C      -6.331291      5.878504      1.879602
  C      -6.847622      7.044196      2.412589
  C      -8.105879      7.498652      1.951625
  N      -8.839378      6.912332      1.018819
  C      -8.340001      5.758546      0.485191
  C      -9.060748      5.085470     -0.533506
  C      -8.571370      3.899204     -1.036344
  C      -7.382445      3.366920     -0.493202
  N      -6.669880      3.966519      0.448441
  C      -7.111926      5.165941      0.910618
  C      -6.361266      1.925144      6.417609
  C      -7.048929      3.258459      6.773727
  C      -8.266144      3.510757      5.909043
  O      -7.804803      3.679833      4.536462
  C      -8.803983      3.613235      3.606815
  C      -9.797032      4.571736      3.525367
  C     -10.815718      4.429606      2.560820
  N     -10.928253      3.396351      1.738381
  C      -9.950887      2.448060      1.798878
  C     -10.029494      1.319451      0.944771
  C      -9.024449      0.373871      0.979361
  C      -7.925839      0.577724      1.836498
  N      -7.805321      1.617842      2.657083
  C      -8.823499      2.529699      2.680948
  H      -3.569973     -1.496530      4.994181
  H      -4.490257     -0.327814      4.043700
  H      -1.766486     -1.410650      3.136257
  H      -3.298090     -2.198135      2.743444
  H      -2.356469     -0.666067      0.932317
  H      -2.706917      0.718808      2.003817
  H      -6.141338     -1.596988     -0.124768
  H      -6.913019     -0.862645     -2.380671
  H      -4.493478      2.862403     -3.534692
  H      -2.940535      4.391292     -2.249565
  H      -2.403507      3.829857      0.126600
  H      -3.090298      6.126341      5.654811
  H      -4.212133      5.201811      6.658246
  H      -5.550187      6.173568      4.993792
  H      -5.415555      4.487234      4.513143
  H      -3.335554      5.318691      3.071902
  H      -4.154157      6.903833      3.153084
  H      -6.308217      7.621699      3.162202
  H      -8.516318      8.417428      2.382631
  H      -9.996781      5.524793     -0.880924
  H      -9.090906      3.340596     -1.816380
  H      -7.019844      2.395999     -0.837958
  H      -6.820160      1.100040      6.994283
  H      -6.536312      1.722862      5.354219
  H      -6.333231      4.080980      6.624580
  H      -7.357641      3.290745      7.829799
  H      -8.808607      4.413770      6.231506
  H      -8.963722      2.656142      5.936068
  H      -9.779479      5.433037      4.194226
  H     -11.571634      5.214299      2.466147
  H     -10.886748      1.237889      0.275086
  H      -9.048362     -0.508678      0.339164
  H      -7.093772     -0.130615      1.839819
  N      -4.470791      2.378380      3.638424
  N      -5.123979      2.571300      2.440361
  H      -6.131660      2.211458      2.504889
  H      -4.598878      2.103174      1.664944
  H      -5.171294      3.581525      2.159335
103
Coordinates from ORCA-job orca E -6485.314687400191
  N      -2.727776      0.413480      4.913698
  Mo     -3.611702      2.171123      5.221439
  N      -4.919403      1.943081      6.656054
  C      -4.488610      1.873504      8.052726
  C      -3.089855      1.272924      8.097769
  N      -2.246814      1.923827      7.061301
  C      -1.115989      1.065844      6.624600
  C      -1.620616     -0.058102      5.730753
  C      -1.759462      3.263693      7.479330
  C      -1.617928      4.105203      6.216133
  N      -2.864690      4.045962      5.458885
  H      -0.774463     -0.419084      5.115948
  H      -1.948327     -0.925867      6.339070
  H      -0.422181      1.707086      6.065187
  H      -0.572774      0.665359      7.498595
  H      -1.363155      5.144761      6.482905
  H      -0.783319      3.725935      5.602273
  H      -2.515945      3.714553      8.136031
  H      -0.818918      3.171617      8.050694
  H      -5.176197      1.235094      8.635649
  H      -4.506785      2.872403      8.529455
  H      -3.154362      0.206086      7.844730
  H      -2.628414      1.366373      9.095965
  C      -3.470382     -0.669345      4.258869
  C      -2.831525     -1.204167      2.965680
  C      -2.988045     -0.291146      1.765090
  O      -4.391723     -0.369542      1.332492
  C      -4.736467      0.005955      0.073482
  C      -5.696823     -0.737304     -0.597218
  C      -6.116849     -0.336381     -1.881982
  N      -5.631826      0.701620     -2.550443
  C      -4.709028      1.463971     -1.899629
  C      -4.212668      2.636064     -2.524351
  C      -3.393923      3.488668     -1.815610
  C      -3.089097      3.181941     -0.472471
  N      -3.494144      2.075815      0.136661
  C      -4.260084      1.195035     -0.566183
  C      -3.712722      5.228253      5.664152
  C      -4.826247      5.425198      4.633161
  C      -4.283322      5.821985      3.267039
  O      -5.106904      5.340238      2.168100
  C      -6.316529      5.885937      1.892384
  C      -6.834251      7.048872      2.430232
  C      -8.092437      7.504399      1.969948
  N      -8.825875      6.920694      1.035512
  C      -8.325451      5.769560      0.497034
  C      -9.047698      5.097173     -0.521016
  C      -8.556646      3.913448     -1.028351
  C      -7.363106      3.384395     -0.492242
  N      -6.648605      3.983760      0.448179
  C      -7.095039      5.178694      0.917605
  C      -6.361626      1.941071      6.439645
  C      -7.033521      3.292326      6.754821
  C      -8.249546      3.534696      5.885045
  O      -7.791058      3.634188      4.504449
  C      -8.794483      3.575564      3.579912
  C      -9.792751      4.530508      3.510736
  C     -10.813824      4.392160      2.548887
  N     -10.924814      3.366105      1.716960
  C      -9.944018      2.421066      1.766345
  C     -10.023477      1.297585      0.905594
  C      -9.017717      0.352197      0.931936
  C      -7.916958      0.551670      1.786309
  N      -7.794723      1.588418      2.612076
  C      -8.813724      2.499795      2.645075
  H      -3.569695     -1.506812      4.976035
  H      -4.491846     -0.331130      4.036634
  H      -1.754712     -1.374133      3.124568
  H      -3.272219     -2.185107      2.725243
  H      -2.359481     -0.623939      0.926056
  H      -2.732866      0.747342      2.007517
  H      -6.119977     -1.627509     -0.130265
  H      -6.898539     -0.908900     -2.389872
  H      -4.526968      2.846412     -3.547723
  H      -3.012257      4.408335     -2.259458
  H      -2.502483      3.879463      0.132060
  H      -3.062346      6.123948      5.655237
  H      -4.182916      5.210366      6.669534
  H      -5.530099      6.182222      5.010551
  H      -5.401429      4.495810      4.527971
  H      -3.322375      5.322147      3.085046
  H      -4.140442      6.908139      3.161967
  H      -6.296787      7.622757      3.183994
  H      -8.503726      8.421248      2.404256
  H      -9.986409      5.534294     -0.863918
  H      -9.077514      3.354278     -1.807093
  H      -6.997711      2.416214     -0.841920
  H      -6.829089      1.138030      7.039681
  H      -6.538362      1.710379      5.382339
  H      -6.307750      4.099619      6.576711
  H      -7.337656      3.363036      7.810300
  H      -8.769208      4.461931      6.173768
  H      -8.966085      2.698120      5.949224
  H      -9.777889      5.386688      4.186078
  H     -11.574176      5.173666      2.464173
  H     -10.882868      1.219005      0.238344
  H      -9.044190     -0.526937      0.287275
  H      -7.083789     -0.155322      1.783750
  N      -4.487693      2.374456      3.662579
  N      -5.144233      2.563762      2.467079
  H      -6.153106      2.189836      2.530202
  H      -4.612263      2.112164      1.684100
  H      -5.201354      3.574600      2.191960
103
Coordinates from ORCA-job orca E -6485.315921313676
  N      -2.739246      0.405876      4.917815
  Mo     -3.617935      2.165769      5.229606
  N      -4.921367      1.948997      6.670028
  C      -4.485894      1.887869      8.065665
  C      -3.089804      1.281081      8.110709
  N      -2.248020      1.919984      7.065464
  C      -1.125107      1.052345      6.627862
  C      -1.643941     -0.073708      5.746991
  C      -1.750873      3.259425      7.473171
  C      -1.609417      4.092409      6.204397
  N      -2.861167      4.038797      5.454250
  H      -0.801139     -0.457970      5.141755
  H      -1.990033     -0.927700      6.364674
  H      -0.432118      1.684917      6.057545
  H      -0.577259      0.654929      7.500394
  H      -1.344207      5.131261      6.463675
  H      -0.781476      3.702831      5.588079
  H      -2.502382      3.718877      8.129636
  H      -0.809045      3.165431      8.042126
  H      -5.174700      1.257446      8.655703
  H      -4.497377      2.890360      8.535085
  H      -3.160189      0.212342      7.867528
  H      -2.623796      1.381323      9.106036
  C      -3.474063     -0.674703      4.250380
  C      -2.824250     -1.196181      2.957268
  C      -2.990365     -0.280315      1.760463
  O      -4.392404     -0.373338      1.325637
  C      -4.733786     -0.003123      0.063901
  C      -5.674728     -0.762470     -0.616226
  C      -6.085932     -0.370116     -1.906401
  N      -5.606698      0.672370     -2.572108
  C      -4.703929      1.450378     -1.911827
  C      -4.212761      2.625200     -2.535294
  C      -3.419156      3.493848     -1.817314
  C      -3.137507      3.201887     -0.465972
  N      -3.535727      2.092428      0.142183
  C      -4.271969      1.194159     -0.570216
  C      -3.701085      5.225937      5.664521
  C      -4.818903      5.426893      4.638813
  C      -4.279714      5.825478      3.271928
  O      -5.103477      5.339168      2.176410
  C      -6.312629      5.885856      1.901879
  C      -6.834144      7.043704      2.447229
  C      -8.094752      7.496884      1.991154
  N      -8.828460      6.914437      1.056258
  C      -8.324581      5.767972      0.510748
  C      -9.048199      5.095526     -0.506183
  C      -8.552261      3.917010     -1.020954
  C      -7.351292      3.394243     -0.495228
  N      -6.634570      3.994038      0.443563
  C      -7.089067      5.182253      0.922819
  C      -6.365080      1.959658      6.459312
  C      -7.016843      3.327288      6.746783
  C      -8.236714      3.571152      5.882017
  O      -7.791295      3.613106      4.494302
  C      -8.800415      3.561600      3.576904
  C      -9.809404      4.506868      3.522699
  C     -10.830572      4.369766      2.560929
  N     -10.933048      3.354196      1.714836
  C      -9.943655      2.417748      1.751082
  C     -10.014674      1.302367      0.878941
  C      -9.002687      0.363034      0.896380
  C      -7.904178      0.560705      1.753056
  N      -7.789233      1.591254      2.588150
  C      -8.813229      2.496728      2.629237
  H      -3.573947     -1.518668      4.959714
  H      -4.495569     -0.338911      4.025297
  H      -1.745680     -1.351660      3.118825
  H      -3.250445     -2.182185      2.711515
  H      -2.356485     -0.601956      0.921075
  H      -2.748125      0.760124      2.007720
  H      -6.088544     -1.658886     -0.152808
  H      -6.853437     -0.954622     -2.422131
  H      -4.511135      2.824756     -3.565577
  H      -3.040657      4.414363     -2.262209
  H      -2.576753      3.913850      0.146104
  H      -3.046255      6.118310      5.650261
  H      -4.164675      5.212048      6.672992
  H      -5.521548      6.182812      5.020542
  H      -5.394451      4.497648      4.532008
  H      -3.316762      5.329302      3.090963
  H      -4.141623      6.912160      3.165815
  H      -6.298823      7.615200      3.204287
  H      -8.508748      8.410038      2.430706
  H      -9.991580      5.527896     -0.842189
  H      -9.074458      3.357445     -1.798532
  H      -6.981182      2.430404     -0.851866
  H      -6.839827      1.177279      7.080224
  H      -6.549424      1.706326      5.408436
  H      -6.280315      4.118243      6.543992
  H      -7.310412      3.427212      7.802842
  H      -8.729126      4.519531      6.148055
  H      -8.972618      2.755168      5.979607
  H      -9.803437      5.355459      4.207494
  H     -11.600154      5.143450      2.488600
  H     -10.873722      1.224081      0.211221
  H      -9.023623     -0.510473      0.243882
  H      -7.066881     -0.141159      1.746328
  N      -4.507293      2.365171      3.678099
  N      -5.165571      2.551341      2.484287
  H      -6.173528      2.161360      2.539973
  H      -4.623790      2.120822      1.692963
  H      -5.235314      3.563403      2.218320
103
Coordinates from ORCA-job orca E -6485.317011956869
  N      -2.753309      0.404050      4.917345
  Mo     -3.625519      2.166555      5.234073
  N      -4.923064      1.958830      6.681709
  C      -4.480438      1.905973      8.075430
  C      -3.087418      1.292252      8.118489
  N      -2.247777      1.919025      7.064317
  C      -1.133814      1.041724      6.624068
  C      -1.669119     -0.084948      5.756423
  C      -1.739424      3.257081      7.462460
  C      -1.600197      4.083086      6.188936
  N      -2.858353      4.036575      5.448462
  H      -0.832159     -0.493298      5.158975
  H      -2.033206     -0.924576      6.383498
  H      -0.442475      1.665742      6.042320
  H      -0.580379      0.646439      7.494038
  H      -1.323864      5.120735      6.441336
  H      -0.780551      3.683657      5.567997
  H      -2.484352      3.724805      8.120612
  H      -0.795380      3.159740      8.027103
  H      -5.169401      1.283319      8.673368
  H      -4.484588      2.911911      8.537639
  H      -3.164491      0.221940      7.884631
  H      -2.615830      1.398519      9.110453
  C      -3.482917     -0.674852      4.241027
  C      -2.823479     -1.189215      2.950188
  C      -2.999048     -0.275628      1.753768
  O      -4.399631     -0.382724      1.318832
  C      -4.734975     -0.016844      0.054435
  C      -5.658815     -0.786467     -0.637309
  C      -6.057508     -0.397771     -1.932453
  N      -5.578313      0.648517     -2.592483
  C      -4.692280      1.435708     -1.920418
  C      -4.197401      2.611130     -2.539547
  C      -3.422212      3.487432     -1.810455
  C      -3.165546      3.204134     -0.452431
  N      -3.566117      2.093403      0.152304
  C      -4.280032      1.186282     -0.571489
  C      -3.689727      5.228154      5.666064
  C      -4.810841      5.435587      4.645296
  C      -4.274529      5.838626      3.278759
  O      -5.097905      5.349270      2.185793
  C      -6.307137      5.897119      1.914789
  C      -6.833297      7.047742      2.471048
  C      -8.097045      7.498463      2.021022
  N      -8.830452      6.919466      1.083865
  C      -8.321416      5.780475      0.527431
  C      -9.044692      5.111104     -0.491520
  C      -8.541894      3.940544     -1.017676
  C      -7.333569      3.423575     -0.503002
  N      -6.616580      4.020899      0.437382
  C      -7.080554      5.199922      0.929539
  C      -6.368627      1.978423      6.480437
  C      -7.000800      3.360959      6.737413
  C      -8.225639      3.602881      5.878843
  O      -7.797271      3.574014      4.485847
  C      -8.810885      3.527681      3.575061
  C      -9.827082      4.466120      3.532312
  C     -10.847721      4.331901      2.569988
  N     -10.944664      3.325914      1.711904
  C      -9.950681      2.394013      1.738710
  C     -10.017170      1.285881      0.856850
  C      -9.003309      0.348058      0.868091
  C      -7.908003      0.539871      1.728903
  N      -7.796585      1.565061      2.571675
  C      -8.820900      2.470144      2.617647
  H      -3.584431     -1.522411      4.945708
  H      -4.503857     -0.340218      4.012319
  H      -1.743363     -1.330491      3.114272
  H      -3.236445     -2.180642      2.703962
  H      -2.361603     -0.589782      0.914243
  H      -2.768132      0.767429      2.002013
  H      -6.068304     -1.687696     -0.179302
  H      -6.812630     -0.989497     -2.458026
  H      -4.477572      2.804826     -3.576004
  H      -3.039464      4.406979     -2.253815
  H      -2.624541      3.923925      0.167970
  H      -3.030305      6.117043      5.648567
  H      -4.147186      5.216032      6.677269
  H      -5.512601      6.189722      5.032308
  H      -5.386596      4.506932      4.533801
  H      -3.309186      5.347008      3.098342
  H      -4.141591      6.926050      3.173887
  H      -6.300719      7.615125      3.233023
  H      -8.514546      8.406089      2.468615
  H      -9.992871      5.538734     -0.819840
  H      -9.064440      3.383293     -1.796525
  H      -6.956881      2.466356     -0.870507
  H      -6.846625      1.217955      7.125330
  H      -6.563730      1.699259      5.438186
  H      -6.254252      4.133798      6.506284
  H      -7.281941      3.493708      7.793173
  H      -8.686583      4.574480      6.114799
  H      -8.982250      2.812375      6.016882
  H      -9.827665      5.308645      4.224256
  H     -11.622629      5.101105      2.507079
  H     -10.875142      1.210859      0.187430
  H      -9.021076     -0.520549      0.208868
  H      -7.070266     -0.161088      1.720616
  N      -4.529177      2.364502      3.690133
  N      -5.187767      2.551299      2.497358
  H      -6.197576      2.152794      2.545132
  H      -4.637936      2.141445      1.697025
  H      -5.265610      3.564972      2.242134
103
Coordinates from ORCA-job orca E -6485.318006383908
  N      -2.764005      0.395507      4.924069
  Mo     -3.631146      2.160155      5.240751
  N      -4.924853      1.965139      6.693623
  C      -4.476685      1.923678      8.086140
  C      -3.086921      1.302929      8.130741
  N      -2.247048      1.914929      7.067787
  C      -1.141265      1.026795      6.628513
  C      -1.690912     -0.101268      5.773755
  C      -1.727383      3.252357      7.453478
  C      -1.589839      4.068449      6.173272
  N      -2.853988      4.026929      5.442178
  H      -0.859846     -0.532519      5.184362
  H      -2.071860     -0.926662      6.409829
  H      -0.450648      1.641709      6.036146
  H      -0.583944      0.634791      7.497514
  H      -1.303253      5.105576      6.416367
  H      -0.778214      3.658159      5.548993
  H      -2.465688      3.730138      8.111955
  H      -0.781368      3.152473      8.014371
  H      -5.166770      1.310788      8.692763
  H      -4.473453      2.934241      8.538280
  H      -3.170471      0.230681      7.908366
  H      -2.611614      1.417121      9.120010
  C      -3.487529     -0.681810      4.237892
  C      -2.817301     -1.186184      2.949093
  C      -2.998821     -0.269338      1.756293
  O      -4.398671     -0.383586      1.321330
  C      -4.731209     -0.021675      0.055028
  C      -5.635873     -0.805949     -0.645299
  C      -6.023855     -0.426679     -1.946417
  N      -5.549989      0.623599     -2.604057
  C      -4.683975      1.425404     -1.923335
  C      -4.191924      2.602017     -2.542338
  C      -3.436753      3.490685     -1.807187
  C      -3.200474      3.220388     -0.442856
  N      -3.598324      2.108674      0.162996
  C      -4.287956      1.187559     -0.567248
  C      -3.677811      5.223266      5.663246
  C      -4.801232      5.436984      4.646010
  C      -4.269716      5.844284      3.278618
  O      -5.094562      5.350334      2.189401
  C      -6.306395      5.896295      1.923955
  C      -6.836507      7.040688      2.489464
  C      -8.105805      7.485772      2.049176
  N      -8.842207      6.906020      1.114845
  C      -8.329195      5.773234      0.549020
  C      -9.055502      5.103139     -0.467491
  C      -8.546347      3.940064     -1.004554
  C      -7.328375      3.431681     -0.504594
  N      -6.608121      4.029717      0.433145
  C      -7.080517      5.200614      0.937643
  C      -6.371466      1.997153      6.498370
  C      -6.980826      3.395790      6.721736
  C      -8.207477      3.642897      5.866890
  O      -7.799173      3.545414      4.471450
  C      -8.819103      3.508679      3.570327
  C      -9.848421      4.434025      3.550899
  C     -10.872208      4.304241      2.591250
  N     -10.961861      3.314420      1.714205
  C      -9.956889      2.393751      1.719566
  C     -10.016133      1.300277      0.819509
  C      -8.993893      0.371710      0.810943
  C      -7.896969      0.559019      1.670466
  N      -7.791629      1.571934      2.529401
  C      -8.823698      2.467287      2.593942
  H      -3.591769     -1.533155      4.937494
  H      -4.507479     -0.347988      4.004131
  H      -1.736255     -1.315982      3.116732
  H      -3.218670     -2.181335      2.698730
  H      -2.359538     -0.574974      0.914993
  H      -2.774829      0.774097      2.009574
  H      -6.036621     -1.712511     -0.190166
  H      -6.762187     -1.032046     -2.480314
  H      -4.457092      2.786088     -3.584522
  H      -3.054894      4.409952     -2.252102
  H      -2.679877      3.951503      0.181708
  H      -3.013714      6.108589      5.642584
  H      -4.130889      5.214057      6.676368
  H      -5.501848      6.189374      5.038287
  H      -5.377359      4.509045      4.529929
  H      -3.301886      5.358218      3.097282
  H      -4.143126      6.932526      3.174191
  H      -6.304402      7.607483      3.252173
  H      -8.525990      8.388799      2.503643
  H     -10.010065      5.524143     -0.785717
  H      -9.071341      3.383610     -1.782398
  H      -6.944794      2.481430     -0.883426
  H      -6.856197      1.261459      7.166398
  H      -6.575213      1.691288      5.465260
  H      -6.221810      4.147980      6.466473
  H      -7.251629      3.560455      7.775715
  H      -8.631639      4.637995      6.071260
  H      -8.988184      2.884404      6.044111
  H      -9.858950      5.263735      4.257844
  H     -11.658126      5.063791      2.548546
  H     -10.876390      1.227861      0.152689
  H      -9.006203     -0.486348      0.138042
  H      -7.053720     -0.135014      1.649302
  N      -4.547810      2.353265      3.704069
  N      -5.205942      2.538725      2.511793
  H      -6.214761      2.128429      2.553141
  H      -4.648088      2.148236      1.703484
  H      -5.294693      3.553399      2.265790
103
Coordinates from ORCA-job orca E -6485.318879045831
  N      -2.778242      0.391334      4.927579
  Mo     -3.640654      2.157820      5.245731
  N      -4.929347      1.971612      6.704945
  C      -4.473881      1.939748      8.095577
  C      -3.086799      1.313301      8.139373
  N      -2.248299      1.912822      7.068379
  C      -1.150444      1.015304      6.628338
  C      -1.713922     -0.113094      5.784497
  C      -1.717820      3.249095      7.443340
  C      -1.582365      4.056206      6.157281
  N      -2.852154      4.020567      5.435657
  H      -0.889439     -0.563437      5.200302
  H      -2.108391     -0.926326      6.428007
  H      -0.461300      1.622407      6.026214
  H      -0.588978      0.625750      7.495716
  H      -1.285409      5.092503      6.391470
  H      -0.779156      3.635004      5.529556
  H      -2.449338      3.735842      8.102827
  H      -0.769526      3.146207      7.999795
  H      -5.163466      1.334748      8.710570
  H      -4.464132      2.954065      8.539228
  H      -3.176015      0.239584      7.926627
  H      -2.607206      1.433900      9.125802
  C      -3.496756     -0.684316      4.232199
  C      -2.815270     -1.182915      2.947289
  C      -2.998870     -0.265943      1.755243
  O      -4.396661     -0.389368      1.316481
  C      -4.724087     -0.031764      0.047508
  C      -5.608503     -0.830271     -0.662486
  C      -5.987854     -0.457223     -1.967794
  N      -5.522661      0.600179     -2.620265
  C      -4.677422      1.415754     -1.929850
  C      -4.192842      2.597551     -2.544811
  C      -3.458349      3.497061     -1.801747
  C      -3.238307      3.233913     -0.433412
  N      -3.629850      2.118225      0.169923
  C      -4.294924      1.185278     -0.568631
  C      -3.667073      5.222337      5.659117
  C      -4.789411      5.444872      4.643210
  C      -4.258270      5.855169      3.276535
  O      -5.083288      5.359764      2.189014
  C      -6.295520      5.907017      1.928099
  C      -6.826125      7.047386      2.501239
  C      -8.099235      7.490314      2.069695
  N      -8.839671      6.911207      1.138299
  C      -8.325610      5.782948      0.564305
  C      -9.055961      5.114324     -0.450009
  C      -8.543887      3.957479     -0.997512
  C      -7.318252      3.454005     -0.511201
  N      -6.594321      4.050152      0.425246
  C      -7.071326      5.214475      0.941062
  C      -6.377731      2.009497      6.518330
  C      -6.971635      3.418385      6.717622
  C      -8.201323      3.670050      5.867858
  O      -7.813037      3.507178      4.473612
  C      -8.834331      3.477482      3.576046
  C      -9.870993      4.395141      3.565816
  C     -10.889982      4.271434      2.600241
  N     -10.970237      3.294215      1.708548
  C      -9.960493      2.378362      1.707493
  C     -10.010781      1.295129      0.794552
  C      -8.986612      0.368480      0.782554
  C      -7.897137      0.547630      1.652713
  N      -7.799847      1.552227      2.522147
  C      -8.832179      2.446417      2.587929
  H      -3.605542     -1.537536      4.928620
  H      -4.514888     -0.350294      3.991278
  H      -1.734001     -1.302609      3.120830
  H      -3.206065     -2.181546      2.694121
  H      -2.355316     -0.565657      0.915054
  H      -2.782100      0.778423      2.011072
  H      -5.999427     -1.743404     -0.211847
  H      -6.709651     -1.075096     -2.509934
  H      -4.446119      2.776158     -3.590889
  H      -3.081036      4.419182     -2.244638
  H      -2.737607      3.974183      0.196524
  H      -2.996990      6.103094      5.637275
  H      -4.118170      5.215865      6.673064
  H      -5.487945      6.197308      5.038996
  H      -5.367679      4.519105      4.521458
  H      -3.289088      5.371861      3.095222
  H      -4.134506      6.943855      3.173186
  H      -6.292795      7.612557      3.264261
  H      -8.519511      8.390316      2.530041
  H     -10.015249      5.531517     -0.758855
  H      -9.072776      3.403523     -1.774397
  H      -6.930607      2.509644     -0.900945
  H      -6.862920      1.291624      7.204929
  H      -6.591256      1.683204      5.493501
  H      -6.204165      4.154427      6.443754
  H      -7.232911      3.607515      7.769924
  H      -8.589641      4.685246      6.041622
  H      -9.004118      2.944456      6.080568
  H      -9.891575      5.216277      4.282181
  H     -11.680612      5.026540      2.565978
  H     -10.866720      1.227831      0.121668
  H      -8.991830     -0.482710      0.100798
  H      -7.053972     -0.146190      1.633029
  N      -4.568427      2.347848      3.714589
  N      -5.223693      2.535160      2.521042
  H      -6.231690      2.117163      2.552736
  H      -4.657273      2.160532      1.708237
  H      -5.319066      3.550896      2.284018
103
Coordinates from ORCA-job orca E -6485.319640891587
  N      -2.786593      0.391164      4.930116
  Mo     -3.644500      2.160442      5.246169
  N      -4.929449      1.981139      6.709773
  C      -4.468266      1.959292      8.098931
  C      -3.083450      1.327984      8.143483
  N      -2.244910      1.915461      7.065870
  C      -1.154194      1.009169      6.626739
  C      -1.730107     -0.119358      5.793344
  C      -1.704325      3.250499      7.430684
  C      -1.570768      4.049576      6.139473
  N      -2.845787      4.019016      5.427434
  H      -0.912225     -0.587128      5.213777
  H      -2.136484     -0.920822      6.444144
  H      -0.465902      1.608493      6.015950
  H      -0.590011      0.622291      7.493433
  H      -1.264735      5.085008      6.365700
  H      -0.775422      3.618704      5.508468
  H      -2.429602      3.745343      8.091026
  H      -0.753951      3.144635      7.982950
  H      -5.157518      1.361964      8.721690
  H      -4.452978      2.977397      8.533666
  H      -3.177428      0.252890      7.939958
  H      -2.601206      1.454781      9.127835
  C      -3.504183     -0.685205      4.233907
  C      -2.813930     -1.187470      2.955290
  C      -2.999401     -0.277347      1.758741
  O      -4.395619     -0.408302      1.318952
  C      -4.717929     -0.054040      0.047823
  C      -5.588347     -0.860330     -0.670281
  C      -5.959316     -0.489602     -1.978685
  N      -5.498369      0.573049     -2.625508
  C      -4.666814      1.395551     -1.926831
  C      -4.183935      2.580303     -2.537274
  C      -3.459957      3.483132     -1.787843
  C      -3.250297      3.221342     -0.417718
  N      -3.641415      2.103614      0.182566
  C      -4.294651      1.167159     -0.562596
  C      -3.653968      5.223768      5.656901
  C      -4.777248      5.453317      4.644362
  C      -4.250385      5.870112      3.277754
  O      -5.076992      5.374009      2.192028
  C      -6.292247      5.919431      1.940511
  C      -6.824957      7.052498      2.526029
  C      -8.104222      7.490877      2.108215
  N      -8.849446      6.913173      1.179951
  C      -8.332609      5.793149      0.592478
  C      -9.067148      5.127249     -0.420500
  C      -8.550176      3.979907     -0.983256
  C      -7.314923      3.483482     -0.514470
  N      -6.587260      4.077064      0.420601
  C      -7.070438      5.231251      0.952465
  C      -6.378753      2.020678      6.528025
  C      -6.964761      3.436392      6.702034
  C      -8.195074      3.688447      5.852835
  O      -7.825703      3.468575      4.462234
  C      -8.850051      3.449378      3.570708
  C      -9.899156      4.353440      3.582316
  C     -10.919845      4.236031      2.617739
  N     -10.992653      3.275534      1.707948
  C      -9.972917      2.370710      1.687870
  C     -10.016881      1.302252      0.757767
  C      -8.985477      0.384309      0.727642
  C      -7.894733      0.558397      1.597349
  N      -7.802798      1.550487      2.481761
  C      -8.841792      2.435414      2.564344
  H      -3.618477     -1.535665      4.932585
  H      -4.520047     -0.350030      3.985664
  H      -1.732517     -1.298030      3.133877
  H      -3.196554     -2.190108      2.705904
  H      -2.353683     -0.577620      0.920387
  H      -2.787024      0.769113      2.010830
  H      -5.973929     -1.777790     -0.223990
  H      -6.668647     -1.115104     -2.528399
  H      -4.428893      2.757857     -3.585471
  H      -3.082924      4.406693     -2.227911
  H      -2.759402      3.964628      0.216192
  H      -2.979977      6.101516      5.635014
  H      -4.102338      5.216957      6.671948
  H      -5.474516      6.203562      5.046191
  H      -5.355528      4.528001      4.517512
  H      -3.279304      5.392126      3.092680
  H      -4.131999      6.959655      3.177224
  H      -6.289612      7.615125      3.289452
  H      -8.525788      8.385108      2.578460
  H     -10.032949      5.538654     -0.716380
  H      -9.082901      3.429087     -1.759681
  H      -6.921489      2.547531     -0.918704
  H      -6.863699      1.318487      7.230563
  H      -6.596971      1.674546      5.510915
  H      -6.192261      4.161858      6.415528
  H      -7.222104      3.645654      7.751549
  H      -8.552925      4.719572      5.995702
  H      -9.016042      2.993625      6.096230
  H      -9.929979      5.160253      4.314076
  H     -11.719675      4.982089      2.602251
  H     -10.874748      1.238309      0.087073
  H      -8.985869     -0.456059      0.032747
  H      -7.046827     -0.129049      1.565414
  N      -4.583552      2.348253      3.721011
  N      -5.236204      2.539192      2.526474
  H      -6.241398      2.110578      2.550710
  H      -4.661810      2.180974      1.709013
  H      -5.340701      3.555795      2.299655
103
Coordinates from ORCA-job orca E -6485.320310802843
  N      -2.801053      0.384458      4.938833
  Mo     -3.651752      2.157632      5.250782
  N      -4.932374      1.991431      6.720168
  C      -4.464645      1.981951      8.107500
  C      -3.083706      1.342467      8.153427
  N      -2.244660      1.913846      7.067790
  C      -1.163073      0.995213      6.631273
  C      -1.752412     -0.133096      5.807786
  C      -1.691233      3.247268      7.419242
  C      -1.557610      4.034258      6.120384
  N      -2.837711      4.010164      5.417318
  H      -0.941162     -0.617090      5.232373
  H      -2.170280     -0.923355      6.464970
  H      -0.473615      1.584517      6.012097
  H      -0.597855      0.610681      7.498267
  H      -1.239799      5.068543      6.335467
  H      -0.771061      3.589515      5.488057
  H      -2.409267      3.753426      8.078978
  H      -0.739006      3.137778      7.967629
  H      -5.154512      1.395800      8.740097
  H      -4.440812      3.004831      8.530515
  H      -3.185041      0.265890      7.961486
  H      -2.598012      1.476299      9.135190
  C      -3.517329     -0.688008      4.234411
  C      -2.817982     -1.185286      2.958951
  C      -3.000372     -0.272074      1.764016
  O      -4.394294     -0.405127      1.318572
  C      -4.709778     -0.053778      0.044756
  C      -5.555572     -0.876539     -0.684100
  C      -5.914852     -0.514526     -1.998124
  N      -5.464525      0.555929     -2.639527
  C      -4.657847      1.394276     -1.930456
  C      -4.184731      2.584636     -2.537802
  C      -3.483337      3.499647     -1.781577
  C      -3.288950      3.245189     -0.408033
  N      -3.672372      2.123719      0.191071
  C      -4.300587      1.174630     -0.560692
  C      -3.636872      5.220334      5.648880
  C      -4.760703      5.456106      4.638895
  C      -4.236106      5.872634      3.271146
  O      -5.064632      5.376185      2.186958
  C      -6.280618      5.922562      1.940671
  C      -6.812076      7.052454      2.533690
  C      -8.095161      7.489630      2.126499
  N      -8.846228      6.912530      1.202701
  C      -8.330251      5.796687      0.606513
  C      -9.071006      5.132946     -0.403101
  C      -8.554382      3.990803     -0.976502
  C      -7.312140      3.497424     -0.522708
  N      -6.578331      4.089105      0.409078
  C      -7.062550      5.237717      0.952844
  C      -6.382771      2.034239      6.544167
  C      -6.960927      3.455672      6.697350
  C      -8.192396      3.707332      5.849231
  O      -7.841790      3.432616      4.464640
  C      -8.867049      3.421899      3.576350
  C      -9.925233      4.315411      3.600824
  C     -10.943729      4.203446      2.632970
  N     -11.008349      3.256218      1.708921
  C      -9.981839      2.358966      1.678770
  C     -10.017868      1.301655      0.735493
  C      -8.981757      0.389398      0.696453
  C      -7.894498      0.558333      1.571625
  N      -7.810059      1.540635      2.467097
  C      -8.852321      2.420199      2.556906
  H      -3.639424     -1.539957      4.929853
  H      -4.529938     -0.348603      3.979034
  H      -1.737154     -1.291200      3.143845
  H      -3.194471     -2.188914      2.704398
  H      -2.350988     -0.569487      0.927379
  H      -2.790473      0.774251      2.019144
  H      -5.929057     -1.801233     -0.242318
  H      -6.602079     -1.155997     -2.557669
  H      -4.418005      2.755680     -3.589767
  H      -3.113290      4.427052     -2.219559
  H      -2.817673      3.997840      0.229716
  H      -2.957232      6.093644      5.624654
  H      -4.083073      5.217215      6.664903
  H      -5.454135      6.208165      5.043800
  H      -5.341855      4.532254      4.511804
  H      -3.264963      5.395602      3.084256
  H      -4.118491      6.962248      3.170076
  H      -6.273321      7.613325      3.295999
  H      -8.515103      8.381427      2.602897
  H     -10.041125      5.541803     -0.688306
  H      -9.093082      3.443149     -1.750961
  H      -6.917057      2.566706     -0.937892
  H      -6.866554      1.345610      7.260576
  H      -6.607329      1.672482      5.534096
  H      -6.184055      4.172032      6.400375
  H      -7.215042      3.682327      7.744191
  H      -8.521954      4.751692      5.961670
  H      -9.029161      3.042530      6.120664
  H      -9.966660      5.111138      4.343833
  H     -11.749610      4.943193      2.628938
  H     -10.874254      1.241222      0.062510
  H      -8.975878     -0.442792     -0.008376
  H      -7.043686     -0.125080      1.534974
  N      -4.600098      2.340812      3.730210
  N      -5.249421      2.531873      2.533452
  H      -6.254294      2.102930      2.554512
  H      -4.672304      2.173169      1.715081
  H      -5.352732      3.548112      2.307637
103
Coordinates from ORCA-job orca E -6485.320912131363
  N      -2.811526      0.382148      4.942338
  Mo     -3.654573      2.160183      5.248993
  N      -4.932950      2.004808      6.721718
  C      -4.461230      2.005348      8.107818
  C      -3.084316      1.357388      8.156468
  N      -2.243076      1.915138      7.065509
  C      -1.169486      0.985852      6.632224
  C      -1.770106     -0.141455      5.816325
  C      -1.678462      3.246263      7.407460
  C      -1.543770      4.024470      6.103285
  N      -2.827831      4.007279      5.407911
  H      -0.964131     -0.638724      5.244896
  H      -2.198058     -0.922225      6.478292
  H      -0.477912      1.566176      6.006984
  H      -0.604884      0.602642      7.500126
  H      -1.215388      5.057126      6.310342
  H      -0.764901      3.568161      5.469841
  H      -2.390623      3.761248      8.066721
  H      -0.725018      3.132748      7.952887
  H      -5.153101      1.430159      8.748233
  H      -4.428779      3.032222      8.520380
  H      -3.192481      0.279828      7.973987
  H      -2.596937      1.496405      9.136713
  C      -3.529732     -0.688521      4.236753
  C      -2.822098     -1.194667      2.969269
  C      -2.997331     -0.288891      1.767780
  O      -4.388942     -0.424159      1.317097
  C      -4.697234     -0.077048      0.040056
  C      -5.525685     -0.910325     -0.696517
  C      -5.880530     -0.550508     -2.012412
  N      -5.442088      0.528711     -2.647205
  C      -4.651855      1.376359     -1.930731
  C      -4.191232      2.574586     -2.532258
  C      -3.504315      3.495664     -1.769987
  C      -3.312166      3.239045     -0.396758
  N      -3.685079      2.111346      0.197729
  C      -4.299337      1.157302     -0.559716
  C      -3.620300      5.219979      5.647299
  C      -4.747030      5.462673      4.642572
  C      -4.227845      5.884033      3.274423
  O      -5.059728      5.389968      2.191661
  C      -6.278859      5.933769      1.955780
  C      -6.812616      7.055520      2.562308
  C      -8.100863      7.489297      2.168228
  N      -8.856099      6.914837      1.246259
  C      -8.338026      5.807376      0.636451
  C      -9.082710      5.147782     -0.372933
  C      -8.561706      4.016445     -0.963692
  C      -7.310117      3.529864     -0.528480
  N      -6.573261      4.117291      0.403529
  C      -7.063046      5.254352      0.966071
  C      -6.383786      2.051650      6.548273
  C      -6.955804      3.477808      6.683167
  C      -8.187931      3.728724      5.834715
  O      -7.855658      3.405241      4.456919
  C      -8.881733      3.400099      3.571106
  C      -9.951686      4.279610      3.608444
  C     -10.969549      4.168016      2.639589
  N     -11.024032      3.233364      1.702593
  C      -9.987419      2.348218      1.661045
  C     -10.014055      1.301285      0.706081
  C      -8.970360      0.398686      0.656704
  C      -7.884562      0.567444      1.534042
  N      -7.809191      1.540539      2.439982
  C      -8.858223      2.410514      2.538980
  H      -3.662684     -1.536506      4.934949
  H      -4.537878     -0.343572      3.971734
  H      -1.742485     -1.298542      3.162144
  H      -3.195953     -2.200027      2.717823
  H      -2.344160     -0.593065      0.936422
  H      -2.787342      0.758984      2.016820
  H      -5.888676     -1.841232     -0.259080
  H      -6.553036     -1.201449     -2.578792
  H      -4.422035      2.746073     -3.584678
  H      -3.144083      4.429166     -2.203086
  H      -2.852663      3.995521      0.244964
  H      -2.937136      6.090513      5.623673
  H      -4.063522      5.215451      6.664660
  H      -5.436731      6.214336      5.054037
  H      -5.329662      4.539454      4.514783
  H      -3.256558      5.409624      3.081656
  H      -4.112602      6.974198      3.176355
  H      -6.271553      7.612631      3.325685
  H      -8.521806      8.374994      2.655002
  H     -10.058588      5.551675     -0.645289
  H      -9.103515      3.473427     -1.739206
  H      -6.909148      2.608934     -0.960045
  H      -6.868055      1.374882      7.275457
  H      -6.612300      1.677352      5.543873
  H      -6.175652      4.187339      6.378977
  H      -7.208773      3.718017      7.727378
  H      -8.492782      4.783362      5.918081
  H      -9.037921      3.092208      6.131652
  H     -10.006102      5.063829      4.362360
  H     -11.785749      4.896367      2.648849
  H     -10.870503      1.240559      0.033189
  H      -8.958260     -0.425785     -0.056952
  H      -7.028065     -0.108380      1.490513
  N      -4.610125      2.342450      3.732637
  N      -5.253860      2.538568      2.533244
  H      -6.254776      2.100582      2.543362
  H      -4.668416      2.190576      1.713817
  H      -5.363334      3.555491      2.316454
103
Coordinates from ORCA-job orca E -6485.321447646103
  N      -2.821348      0.380194      4.947008
  Mo     -3.656815      2.162890      5.247550
  N      -4.933099      2.019912      6.723574
  C      -4.458356      2.030113      8.108568
  C      -3.085789      1.373141      8.160253
  N      -2.242360      1.917255      7.064382
  C      -1.176348      0.977633      6.635216
  C      -1.786880     -0.148703      5.826051
  C      -1.667420      3.246440      7.396598
  C      -1.529732      4.014602      6.086362
  N      -2.816391      4.004275      5.395916
  H      -0.985196     -0.657669      5.258972
  H      -2.224230     -0.920750      6.492040
  H      -0.481705      1.549094      6.005294
  H      -0.613504      0.595332      7.504597
  H      -1.190550      5.045569      6.284475
  H      -0.757938      3.545661      5.453688
  H      -2.374836      3.770814      8.053514
  H      -0.713747      3.129615      7.940879
  H      -5.152653      1.466144      8.756252
  H      -4.417231      3.060746      8.510731
  H      -3.201163      0.294846      7.986622
  H      -2.596711      1.516621      9.139036
  C      -3.541616     -0.688186      4.240061
  C      -2.827392     -1.201030      2.979009
  C      -2.996627     -0.301287      1.772145
  O      -4.386131     -0.437213      1.316802
  C      -4.685653     -0.093287      0.036582
  C      -5.494265     -0.937023     -0.710034
  C      -5.839120     -0.580284     -2.029429
  N      -5.408684      0.506300     -2.657198
  C      -4.637213      1.363072     -1.931118
  C      -4.184036      2.567015     -2.526981
  C      -3.513768      3.494258     -1.757096
  C      -3.331303      3.237788     -0.382846
  N      -3.698193      2.105584      0.207333
  C      -4.296242      1.146252     -0.556842
  C      -3.602416      5.220148      5.639820
  C      -4.731566      5.467874      4.638566
  C      -4.216009      5.888896      3.269192
  O      -5.052256      5.396765      2.188885
  C      -6.273410      5.940160      1.963673
  C      -6.805086      7.056324      2.582444
  C      -8.097853      7.489419      2.203302
  N      -8.860472      6.918137      1.285594
  C      -8.344601      5.816721      0.663225
  C      -9.097562      5.161243     -0.342498
  C      -8.577953      4.037165     -0.947960
  C      -7.318219      3.554228     -0.532314
  N      -6.573830      4.137639      0.396218
  C      -7.063781      5.266322      0.975077
  C      -6.384349      2.066901      6.552498
  C      -6.955126      3.495021      6.673339
  C      -8.187814      3.741515      5.823252
  O      -7.870413      3.378023      4.452496
  C      -8.898383      3.377775      3.570557
  C      -9.979361      4.242872      3.623854
  C     -10.999211      4.132084      2.656602
  N     -11.046263      3.210447      1.706677
  C      -9.999582      2.337989      1.650188
  C     -10.018487      1.302816      0.682187
  C      -8.965828      0.411945      0.617535
  C      -7.878745      0.581655      1.493090
  N      -7.811014      1.543948      2.410651
  C      -8.868031      2.401764      2.524560
  H      -3.684073     -1.533514      4.939566
  H      -4.545674     -0.337709      3.967454
  H      -1.748829     -1.303643      3.178210
  H      -3.199572     -2.207486      2.729762
  H      -2.340375     -0.611795      0.945462
  H      -2.786171      0.747976      2.015742
  H      -5.848752     -1.873417     -0.277525
  H      -6.495021     -1.240299     -2.604712
  H      -4.406642      2.737132     -3.581358
  H      -3.159649      4.432349     -2.185193
  H      -2.885764      3.998375      0.263758
  H      -2.915566      6.087708      5.615405
  H      -4.043328      5.216581      6.658243
  H      -5.416901      6.221478      5.053688
  H      -5.316733      4.545816      4.512771
  H      -3.245878      5.413682      3.072674
  H      -4.100175      6.979061      3.171297
  H      -6.258529      7.609437      3.344799
  H      -8.516325      8.371035      2.699493
  H     -10.078263      5.562568     -0.600915
  H      -9.126619      3.498082     -1.721323
  H      -6.916059      2.640779     -0.978352
  H      -6.867231      1.398467      7.288195
  H      -6.615492      1.682581      5.552652
  H      -6.174057      4.201137      6.365141
  H      -7.209122      3.744654      7.715128
  H      -8.475720      4.802763      5.880642
  H      -9.046539      3.127359      6.141773
  H     -10.043595      5.015390      4.388734
  H     -11.824453      4.849907      2.679814
  H     -10.877053      1.241546      0.012045
  H      -8.948431     -0.403601     -0.106196
  H      -7.015035     -0.084025      1.437958
  N      -4.619335      2.343758      3.735168
  N      -5.259058      2.542511      2.533906
  H      -6.259510      2.105295      2.542182
  H      -4.672410      2.191468      1.713903
  H      -5.366043      3.559534      2.318424
103
Coordinates from ORCA-job orca E -6485.321925079758
  N      -2.829095      0.377844      4.951665
  Mo     -3.657084      2.164911      5.245538
  N      -4.932927      2.034422      6.723350
  C      -4.456827      2.053739      8.107812
  C      -3.088461      1.388026      8.163974
  N      -2.241913      1.919040      7.064219
  C      -1.182643      0.969814      6.639739
  C      -1.800774     -0.155424      5.835243
  C      -1.657136      3.246084      7.387658
  C      -1.515867      4.004643      6.071993
  N      -2.804424      4.001379      5.385711
  H      -1.001966     -0.673376      5.272289
  H      -2.246196     -0.920611      6.503711
  H      -0.484235      1.533311      6.006893
  H      -0.622493      0.587742      7.510950
  H      -1.166081      5.033696      6.261751
  H      -0.750810      3.523482      5.440432
  H      -2.360094      3.779439      8.042063
  H      -0.703471      3.125985      7.931209
  H      -5.154368      1.501022      8.761592
  H      -4.407390      3.087829      8.500023
  H      -3.210646      0.309169      7.998652
  H      -2.598484      1.535690      9.141742
  C      -3.551064     -0.688355      4.243466
  C      -2.830579     -1.208813      2.989158
  C      -2.992703     -0.315232      1.776619
  O      -4.380963     -0.449976      1.318338
  C      -4.673967     -0.111566      0.034707
  C      -5.462216     -0.968315     -0.718748
  C      -5.801543     -0.616812     -2.040975
  N      -5.384334      0.477710     -2.663986
  C      -4.632149      1.346240     -1.931636
  C      -4.192286      2.556783     -2.524329
  C      -3.538268      3.492339     -1.750163
  C      -3.359006      3.237078     -0.375691
  N      -3.714884      2.099882      0.212330
  C      -4.297407      1.133309     -0.555132
  C      -3.583922      5.219838      5.635953
  C      -4.715192      5.474390      4.638789
  C      -4.203394      5.896006      3.268315
  O      -5.044502      5.407767      2.189918
  C      -6.268752      5.948709      1.976280
  C      -6.800486      7.058032      2.607515
  C      -8.098146      7.488357      2.242593
  N      -8.866152      6.920097      1.327448
  C      -8.349966      5.826451      0.691798
  C      -9.107675      5.176555     -0.313973
  C      -8.585494      4.063531     -0.937417
  C      -7.317793      3.585787     -0.540131
  N      -6.570187      4.162773      0.389742
  C      -7.063218      5.280333      0.987320
  C      -6.384600      2.080559      6.552994
  C      -6.955347      3.510087      6.661930
  C      -8.189631      3.753089      5.811480
  O      -7.887331      3.356202      4.447177
  C      -8.916308      3.359561      3.567591
  C     -10.007522      4.211177      3.632323
  C     -11.027623      4.099513      2.665004
  N     -11.066454      3.188870      1.704566
  C     -10.010365      2.328577      1.637176
  C     -10.020567      1.302974      0.658970
  C      -8.959332      0.423561      0.583083
  C      -7.872342      0.596031      1.458296
  N      -7.813630      1.549183      2.385519
  C      -8.878163      2.395178      2.510146
  H      -3.703440     -1.530849      4.944370
  H      -4.550864     -0.332384      3.962842
  H      -1.753320     -1.312104      3.194845
  H      -3.202653     -2.215862      2.742268
  H      -2.334653     -0.634098      0.954429
  H      -2.779798      0.735182      2.013592
  H      -5.804874     -1.910232     -0.288776
  H      -6.440425     -1.287779     -2.622711
  H      -4.411064      2.724241     -3.579924
  H      -3.194700      4.435796     -2.174939
  H      -2.926959      4.003007      0.273726
  H      -2.893502      6.084553      5.612206
  H      -4.022705      5.215398      6.655348
  H      -5.395195      6.229830      5.058826
  H      -5.303594      4.554195      4.514584
  H      -3.235099      5.418967      3.067065
  H      -4.085874      6.986144      3.171695
  H      -6.250005      7.607625      3.369525
  H      -8.516153      8.364608      2.748596
  H     -10.093013      5.574377     -0.559916
  H      -9.137326      3.530312     -1.712552
  H      -6.910940      2.683138     -1.003638
  H      -6.866458      1.419118      7.295617
  H      -6.617254      1.687329      5.557154
  H      -6.173518      4.213711      6.350458
  H      -7.210261      3.766717      7.701819
  H      -8.462666      4.819248      5.846209
  H      -9.055143      3.159083      6.149453
  H     -10.082460      4.974034      4.405545
  H     -11.861825      4.806475      2.699120
  H     -10.880219      1.239754     -0.009636
  H      -8.936288     -0.384910     -0.148359
  H      -7.001767     -0.059916      1.395013
  N      -4.624494      2.344752      3.735953
  N      -5.257327      2.547659      2.531620
  H      -6.256524      2.108760      2.529878
  H      -4.665055      2.197874      1.712464
  H      -5.363580      3.565402      2.320743
103
Coordinates from ORCA-job orca E -6485.322349785432
  N      -2.837287      0.376450      4.955671
  Mo     -3.658446      2.167348      5.243767
  N      -4.933653      2.048923      6.723183
  C      -4.456702      2.075705      8.107314
  C      -3.092282      1.401937      8.167231
  N      -2.243240      1.921357      7.064109
  C      -1.189899      0.963704      6.644328
  C      -1.814460     -0.160386      5.843675
  C      -1.649810      3.246594      7.379398
  C      -1.504137      3.995779      6.058567
  N      -2.793657      3.999299      5.374267
  H      -1.018032     -0.686145      5.284637
  H      -2.266988     -0.919570      6.514177
  H      -0.487298      1.520079      6.009926
  H      -0.632966      0.581332      7.517486
  H      -1.144703      5.022966      6.240490
  H      -0.744869      3.503376      5.428744
  H      -2.349281      3.788624      8.030401
  H      -0.696861      3.123743      7.923556
  H      -5.157293      1.532690      8.765828
  H      -4.400088      3.112487      8.491338
  H      -3.221047      0.322832      8.008370
  H      -2.601048      1.552386      9.143969
  C      -3.560026     -0.688448      4.246227
  C      -2.832648     -1.216862      2.999311
  C      -2.987402     -0.330617      1.780491
  O      -4.373688     -0.466368      1.317497
  C      -4.658756     -0.132448      0.030523
  C      -5.426319     -1.000632     -0.731181
  C      -5.760061     -0.651928     -2.055497
  N      -5.355843      0.451061     -2.672252
  C      -4.623330      1.329809     -1.932163
  C      -4.197014      2.547892     -2.519365
  C      -3.561213      3.490925     -1.738705
  C      -3.386864      3.235098     -0.364094
  N      -3.731229      2.091716      0.219551
  C      -4.295833      1.118758     -0.553537
  C      -3.566599      5.220919      5.628623
  C      -4.699439      5.481671      4.634905
  C      -4.190645      5.899516      3.262094
  O      -5.038339      5.415404      2.186845
  C      -6.263411      5.958519      1.983966
  C      -6.788023      7.066494      2.623683
  C      -8.089157      7.498638      2.274184
  N      -8.867355      6.933252      1.365974
  C      -8.357601      5.842480      0.720306
  C      -9.126205      5.197427     -0.280191
  C      -8.609423      4.089750     -0.917170
  C      -7.335428      3.612762     -0.539330
  N      -6.578677      4.183619      0.386856
  C      -7.067207      5.295417      0.998912
  C      -6.385573      2.091258      6.552957
  C      -6.958727      3.520509      6.653041
  C      -8.193772      3.756969      5.801175
  O      -7.898818      3.337693      4.442481
  C      -8.928228      3.341865      3.564486
  C     -10.028386      4.180995      3.639356
  C     -11.048359      4.068872      2.671628
  N     -11.079284      3.168543      1.701513
  C     -10.014648      2.319502      1.624343
  C     -10.016425      1.303297      0.636405
  C      -8.947370      0.434525      0.550662
  C      -7.861259      0.609050      1.426534
  N      -7.810828      1.553503      2.362566
  C      -8.882207      2.388438      2.496698
  H      -3.721392     -1.527862      4.948825
  H      -4.555935     -0.328395      3.957325
  H      -1.756762     -1.320400      3.211763
  H      -3.204503     -2.224801      2.755679
  H      -2.326178     -0.656764      0.963645
  H      -2.773796      0.721223      2.011034
  H      -5.757563     -1.948446     -0.305303
  H      -6.382686     -1.331935     -2.644337
  H      -4.410934      2.714323     -3.576105
  H      -3.228466      4.440505     -2.158359
  H      -2.970026      4.005474      0.289913
  H      -2.872226      6.082471      5.604098
  H      -4.003122      5.217315      6.649014
  H      -5.372907      6.241187      5.057815
  H      -5.292839      4.564297      4.513945
  H      -3.225769      5.417104      3.057294
  H      -4.067970      6.989020      3.164489
  H      -6.229151      7.613224      3.381587
  H      -8.501342      8.373494      2.787334
  H     -10.114860      5.595289     -0.512379
  H      -9.169643      3.560973     -1.689273
  H      -6.930390      2.716500     -1.016759
  H      -6.865663      1.433675      7.300098
  H      -6.618193      1.691148      5.559933
  H      -6.177157      4.223485      6.339407
  H      -7.215842      3.781845      7.691213
  H      -8.460512      4.825153      5.818880
  H      -9.061803      3.174008      6.151715
  H     -10.112338      4.934696      4.420484
  H     -11.890220      4.766251      2.714774
  H     -10.876615      1.238501     -0.031402
  H      -8.918296     -0.367206     -0.187984
  H      -6.985041     -0.038554      1.356766
  N      -4.631878      2.346864      3.737909
  N      -5.261061      2.552868      2.531911
  H      -6.260889      2.118719      2.527760
  H      -4.668139      2.197776      1.712407
  H      -5.362082      3.571094      2.321228
103
Coordinates from ORCA-job orca E -6485.322725743176
  N      -2.843160      0.373312      4.960005
  Mo     -3.656743      2.168418      5.240189
  N      -4.933319      2.063415      6.719354
  C      -4.457113      2.098383      8.103623
  C      -3.096943      1.416730      8.169767
  N      -2.244170      1.923649      7.063985
  C      -1.196709      0.956892      6.650879
  C      -1.827013     -0.166424      5.854104
  C      -1.642071      3.246967      7.370842
  C      -1.491048      3.986287      6.044936
  N      -2.781117      3.996642      5.361911
  H      -1.032537     -0.700709      5.300473
  H      -2.287680     -0.918864      6.526612
  H      -0.488923      1.505373      6.015473
  H      -0.644106      0.574527      7.526794
  H      -1.122050      5.011410      6.219364
  H      -0.737133      3.482886      5.417402
  H      -2.338248      3.797976      8.017818
  H      -0.690211      3.121569      7.916271
  H      -5.161749      1.565780      8.766155
  H      -4.393540      3.137926      8.478961
  H      -3.232091      0.337353      8.018045
  H      -2.605532      1.570807      9.145845
  C      -3.565812     -0.690125      4.248772
  C      -2.831899     -1.223010      3.007684
  C      -2.981036     -0.341138      1.784821
  O      -4.366423     -0.474120      1.319928
  C      -4.644202     -0.145284      0.029525
  C      -5.391752     -1.024731     -0.738974
  C      -5.716208     -0.681828     -2.067086
  N      -5.320942      0.426429     -2.680118
  C      -4.607378      1.315396     -1.933828
  C      -4.188358      2.536793     -2.519354
  C      -3.567429      3.486838     -1.734949
  C      -3.401291      3.234605     -0.359079
  N      -3.740480      2.088906      0.224041
  C      -4.290600      1.109556     -0.551794
  C      -3.547936      5.220679      5.621831
  C      -4.682829      5.487182      4.632113
  C      -4.177788      5.902775      3.257106
  O      -5.031021      5.421611      2.184801
  C      -6.258549      5.963455      1.993364
  C      -6.780108      7.066888      2.643492
  C      -8.085713      7.497073      2.309212
  N      -8.871059      6.934262      1.405595
  C      -8.363465      5.849941      0.747422
  C      -9.138777      5.210340     -0.251392
  C      -8.622475      4.111878     -0.904455
  C      -7.341931      3.638653     -0.544516
  N      -6.579863      4.202986      0.381116
  C      -7.068396      5.305566      1.009685
  C      -6.385305      2.103528      6.548919
  C      -6.959526      3.533340      6.639043
  C      -8.199246      3.763066      5.791785
  O      -7.918647      3.320903      4.438043
  C      -8.951867      3.326378      3.565802
  C     -10.061023      4.152396      3.654864
  C     -11.084087      4.039499      2.690236
  N     -11.109817      3.149863      1.710361
  C     -10.036587      2.312894      1.619833
  C     -10.032381      1.306952      0.621812
  C      -8.955059      0.450082      0.522337
  C      -7.866763      0.627051      1.395172
  N      -7.821973      1.562397      2.340502
  C      -8.901030      2.384720      2.487768
  H      -3.735363     -1.527741      4.951618
  H      -4.558127     -0.326302      3.952617
  H      -1.757171     -1.326711      3.225618
  H      -3.203464     -2.231356      2.765419
  H      -2.319023     -0.673801      0.971168
  H      -2.764828      0.711429      2.010681
  H      -5.714172     -1.976406     -0.315021
  H      -6.321591     -1.371309     -2.662761
  H      -4.394662      2.699326     -3.578186
  H      -3.240114      4.439044     -2.152854
  H      -2.997291      4.009590      0.297391
  H      -2.850419      6.079720      5.597091
  H      -3.982055      5.216521      6.643270
  H      -5.350656      6.249508      5.058669
  H      -5.280230      4.572083      4.513427
  H      -3.215537      5.416527      3.049000
  H      -4.051739      6.991846      3.158744
  H      -6.215554      7.611034      3.398968
  H      -8.495667      8.367677      2.831278
  H     -10.131370      5.605657     -0.470697
  H      -9.187348      3.588116     -1.676552
  H      -6.935045      2.751168     -1.036791
  H      -6.864412      1.451795      7.301752
  H      -6.618186      1.694742      5.559582
  H      -6.179291      4.234372      6.317892
  H      -7.213253      3.801426      7.676330
  H      -8.459237      4.833072      5.792517
  H      -9.067846      3.191803      6.159628
  H     -10.151669      4.896264      4.444515
  H     -11.933864      4.726453      2.745184
  H     -10.895106      1.240139     -0.042518
  H      -8.921927     -0.344090     -0.224163
  H      -6.984809     -0.011597      1.315829
  N      -4.635036      2.347010      3.736703
  N      -5.257803      2.555694      2.527859
  H      -6.258857      2.123099      2.516538
  H      -4.661192      2.199327      1.707952
  H      -5.355695      3.574393      2.319140
103
Coordinates from ORCA-job orca E -6485.323058099740
  N      -2.849497      0.372074      4.964594
  Mo     -3.657118      2.169978      5.239785
  N      -4.934576      2.075177      6.718400
  C      -4.458757      2.116464      8.102881
  C      -3.101777      1.428668      8.173712
  N      -2.246045      1.925558      7.065698
  C      -1.203423      0.951302      6.657795
  C      -1.838428     -0.170580      5.863038
  C      -1.636264      3.246923      7.365676
  C      -1.480451      3.977674      6.035568
  N      -2.770921      3.994769      5.353247
  H      -1.046085     -0.711465      5.312851
  H      -2.305500     -0.918023      6.536657
  H      -0.490813      1.493643      6.022571
  H      -0.655005      0.568090      7.535992
  H      -1.103090      5.000862      6.203709
  H      -0.731345      3.464982      5.409809
  H      -2.329408      3.805824      8.009167
  H      -0.685528      3.118870      7.912425
  H      -5.166472      1.591725      8.768302
  H      -4.390063      3.158022      8.471666
  H      -3.242260      0.349205      8.027247
  H      -2.609950      1.585204      9.149192
  C      -3.570509     -0.690654      4.250423
  C      -2.830519     -1.226373      3.014401
  C      -2.978455     -0.348730      1.788406
  O      -4.362844     -0.486710      1.322656
  C      -4.636847     -0.164828      0.029419
  C      -5.361162     -1.058876     -0.744406
  C      -5.681340     -0.722797     -2.075262
  N      -5.303707      0.393580     -2.684871
  C      -4.612022      1.295870     -1.933750
  C      -4.209971      2.524116     -2.516887
  C      -3.606272      3.483110     -1.729450
  C      -3.440502      3.232564     -0.353603
  N      -3.765767      2.081720      0.228195
  C      -4.299771      1.095042     -0.549864
  C      -3.530903      5.222086      5.616769
  C      -4.665642      5.496008      4.629667
  C      -4.162358      5.907432      3.252687
  O      -5.022640      5.431499      2.183770
  C      -6.250882      5.975670      2.003512
  C      -6.765296      7.077679      2.661836
  C      -8.073786      7.509881      2.341819
  N      -8.868009      6.950842      1.443646
  C      -8.366312      5.869821      0.775532
  C      -9.150241      5.237120     -0.220776
  C      -8.639090      4.144311     -0.887078
  C      -7.354793      3.669265     -0.542485
  N      -6.585613      4.225763      0.381988
  C      -7.069079      5.323395      1.023279
  C      -6.386742      2.110537      6.545911
  C      -6.963381      3.539809      6.628259
  C      -8.204653      3.764138      5.781316
  O      -7.929242      3.308587      4.431077
  C      -8.962499      3.310813      3.559099
  C     -10.080479      4.124500      3.653634
  C     -11.101376      4.008761      2.686955
  N     -11.117615      3.126982      1.699963
  C     -10.036264      2.300996      1.604450
  C     -10.021551      1.302789      0.598868
  C      -8.936038      0.457133      0.493708
  C      -7.850588      0.637714      1.369444
  N      -7.816135      1.565758      2.322069
  C      -8.902275      2.377226      2.474002
  H      -3.745999     -1.526625      4.953730
  H      -4.560063     -0.325055      3.947493
  H      -1.756414     -1.327619      3.236389
  H      -3.199512     -2.236091      2.773849
  H      -2.314497     -0.683306      0.977079
  H      -2.764567      0.705329      2.010785
  H      -5.667592     -2.016732     -0.322563
  H      -6.266714     -1.425025     -2.676248
  H      -4.413755      2.683770     -3.576641
  H      -3.291484      4.440554     -2.144939
  H      -3.049895      4.012653      0.304856
  H      -2.829125      6.077705      5.592261
  H      -3.963837      5.218177      6.638712
  H      -5.326702      6.262858      5.058248
  H      -5.269048      4.584650      4.512587
  H      -3.204248      5.414473      3.041046
  H      -4.029604      6.995617      3.153417
  H      -6.193096      7.618975      3.413517
  H      -8.478259      8.378816      2.870937
  H     -10.144686      5.633905     -0.428805
  H      -9.210901      3.627201     -1.658399
  H      -6.950127      2.787033     -1.046439
  H      -6.865104      1.461351      7.301441
  H      -6.617719      1.695777      5.558674
  H      -6.183815      4.239632      6.303267
  H      -7.217055      3.812379      7.664420
  H      -8.461428      4.834924      5.771543
  H      -9.073743      3.198745      6.157072
  H     -10.180872      4.860903      4.448861
  H     -11.958173      4.686459      2.746960
  H     -10.882952      1.232962     -0.066924
  H      -8.894238     -0.330909     -0.258875
  H      -6.962949      0.007207      1.286719
  N      -4.641556      2.348700      3.740370
  N      -5.259676      2.560867      2.529646
  H      -6.261559      2.134172      2.513505
  H      -4.661288      2.201301      1.709308
  H      -5.351648      3.580243      2.321917
103
Coordinates from ORCA-job orca E -6485.323345112486
  N      -2.855546      0.368071      4.969438
  Mo     -3.656478      2.169313      5.237536
  N      -4.935657      2.086163      6.714627
  C      -4.461391      2.133548      8.099525
  C      -3.107733      1.440106      8.176006
  N      -2.248513      1.926721      7.066215
  C      -1.210712      0.944551      6.665329
  C      -1.850307     -0.176615      5.873546
  C      -1.631481      3.246222      7.359059
  C      -1.469800      3.967897      6.024656
  N      -2.759990      3.990603      5.341569
  H      -1.059952     -0.724881      5.327897
  H      -2.324175     -0.918215      6.548838
  H      -0.492533      1.479740      6.030373
  H      -0.667380      0.561359      7.546683
  H      -1.085357      4.989398      6.187130
  H      -0.724150      3.446866      5.401699
  H      -2.322172      3.813212      7.998114
  H      -0.682386      3.116039      7.908141
  H      -5.172439      1.616055      8.766995
  H      -4.388451      3.176903      8.462279
  H      -3.253274      0.360591      8.034845
  H      -2.616136      1.599333      9.151137
  C      -3.573954     -0.694181      4.252141
  C      -2.825239     -1.231152      3.021894
  C      -2.966383     -0.354693      1.794284
  O      -4.348148     -0.493010      1.322064
  C      -4.613648     -0.175842      0.025488
  C      -5.318369     -1.080265     -0.754194
  C      -5.629874     -0.749855     -2.088447
  N      -5.263289      0.372001     -2.694564
  C      -4.591616      1.284502     -1.937707
  C      -4.201669      2.517815     -2.518121
  C      -3.615686      3.484512     -1.726580
  C      -3.455809      3.236288     -0.349855
  N      -3.771258      2.081502      0.230400
  C      -4.287945      1.088140     -0.551167
  C      -3.513369      5.221447      5.606854
  C      -4.649562      5.499881      4.623174
  C      -4.150005      5.904618      3.242682
  O      -5.018285      5.431626      2.178685
  C      -6.245828      5.980688      2.007119
  C      -6.749544      7.085615      2.668882
  C      -8.059394      7.522457      2.361443
  N      -8.864341      6.965641      1.471640
  C      -8.372766      5.883032      0.798601
  C      -9.168233      5.254220     -0.190961
  C      -8.666659      4.161437     -0.864511
  C      -7.380271      3.682545     -0.533585
  N      -6.600970      4.234386      0.385111
  C      -7.075053      5.331964      1.033635
  C      -6.387672      2.118207      6.540309
  C      -6.967373      3.546465      6.617133
  C      -8.213310      3.763128      5.775350
  O      -7.943124      3.303670      4.425525
  C      -8.980112      3.302909      3.558297
  C     -10.104798      4.106297      3.663541
  C     -11.129225      3.988021      2.700992
  N     -11.142284      3.113009      1.708120
  C     -10.054446      2.296961      1.602256
  C     -10.036855      1.305441      0.590495
  C      -8.945546      0.469066      0.475020
  C      -7.857213      0.652523      1.346899
  N      -7.824993      1.574806      2.305244
  C      -8.916987      2.376734      2.467086
  H      -3.755649     -1.529035      4.955085
  H      -4.560675     -0.327220      3.941739
  H      -1.752550     -1.331461      3.250843
  H      -3.192290     -2.241241      2.779968
  H      -2.298255     -0.690126      0.986738
  H      -2.753356      0.699525      2.016915
  H      -5.614966     -2.042058     -0.334377
  H      -6.197693     -1.461448     -2.695178
  H      -4.399691      2.674752     -3.579348
  H      -3.310156      4.445838     -2.139985
  H      -3.079023      4.020870      0.311191
  H      -2.807710      6.073807      5.579974
  H      -3.943769      5.219845      6.629862
  H      -5.303662      6.271820      5.052849
  H      -5.258903      4.591911      4.510324
  H      -3.196109      5.404770      3.028239
  H      -4.010529      6.991656      3.139959
  H      -6.168034      7.625672      3.414154
  H      -8.455633      8.393082      2.893972
  H     -10.163307      5.654502     -0.388999
  H      -9.247478      3.648232     -1.631656
  H      -6.981732      2.800682     -1.043331
  H      -6.865797      1.471080      7.297781
  H      -6.616473      1.698609      5.554652
  H      -6.191237      4.246496      6.284505
  H      -7.216446      3.823177      7.653300
  H      -8.473591      4.833060      5.761489
  H      -9.078346      3.196273      6.158221
  H     -10.208852      4.835512      4.464834
  H     -11.992265      4.656938      2.770156
  H     -10.900867      1.232844     -0.071590
  H      -8.901239     -0.313732     -0.282744
  H      -6.965622      0.028783      1.255970
  N      -4.646567      2.347715      3.740846
  N      -5.262560      2.560917      2.528948
  H      -6.265727      2.137603      2.512105
  H      -4.664671      2.198800      1.706645
  H      -5.351305      3.580486      2.320720
103
Coordinates from ORCA-job orca E -6485.323597966456
  N      -2.862585      0.365851      4.974179
  Mo     -3.656816      2.170447      5.235124
  N      -4.937206      2.097243      6.711092
  C      -4.463331      2.152373      8.095956
  C      -3.112944      1.453560      8.178403
  N      -2.250669      1.929074      7.066338
  C      -1.218341      0.938431      6.672171
  C      -1.863864     -0.181494      5.884207
  C      -1.625721      3.246414      7.351524
  C      -1.459572      3.959232      6.012946
  N      -2.750437      3.988465      5.331110
  H      -1.076739     -0.738950      5.343338
  H      -2.345718     -0.915799      6.561808
  H      -0.495025      1.465903      6.036613
  H      -0.679662      0.555531      7.556489
  H      -1.067224      4.978706      6.169652
  H      -0.718571      3.429647      5.391688
  H      -2.313090      3.821348      7.987108
  H      -0.677631      3.113761      7.901759
  H      -5.177182      1.642952      8.766586
  H      -4.385866      3.197942      8.451279
  H      -3.263112      0.373775      8.044098
  H      -2.621471      1.617009      9.152891
  C      -3.578180     -0.696182      4.253933
  C      -2.823580     -1.231743      3.026903
  C      -2.966441     -0.356542      1.798624
  O      -4.348136     -0.496424      1.328050
  C      -4.608436     -0.188694      0.027906
  C      -5.291991     -1.106628     -0.754709
  C      -5.594556     -0.786104     -2.093481
  N      -5.239256      0.339403     -2.699670
  C      -4.587455      1.264265     -1.940183
  C      -4.206915      2.499709     -2.522326
  C      -3.634896      3.474791     -1.730393
  C      -3.479730      3.232718     -0.352446
  N      -3.788779      2.077187      0.230633
  C      -4.292925      1.076673     -0.550421
  C      -3.497917      5.221694      5.601186
  C      -4.635023      5.506185      4.620788
  C      -4.137426      5.909034      3.238913
  O      -5.010745      5.440412      2.177379
  C      -6.238163      5.992433      2.015894
  C      -6.734901      7.095562      2.685932
  C      -8.046818      7.535060      2.391628
  N      -8.859663      6.982731      1.506341
  C      -8.373864      5.903695      0.823361
  C      -9.176856      5.282240     -0.164416
  C      -8.680371      4.195096     -0.850593
  C      -7.391193      3.713641     -0.533458
  N      -6.605325      4.257724      0.384413
  C      -7.074709      5.350250      1.044840
  C      -6.389318      2.124971      6.536554
  C      -6.970506      3.552552      6.605892
  C      -8.221171      3.760706      5.769896
  O      -7.958057      3.286497      4.424120
  C      -8.996874      3.281947      3.560393
  C     -10.129861      4.072294      3.673842
  C     -11.153368      3.952448      2.710343
  N     -11.157389      3.087751      1.708269
  C     -10.061461      2.283514      1.594989
  C     -10.032843      1.303538      0.572135
  C      -8.932784      0.480016      0.448080
  C      -7.847712      0.663935      1.324078
  N      -7.826397      1.575094      2.292936
  C      -8.925504      2.365476      2.461356
  H      -3.763685     -1.530749      4.956153
  H      -4.562967     -0.328431      3.938588
  H      -1.751042     -1.327413      3.258568
  H      -3.186188     -2.243299      2.784636
  H      -2.298340     -0.692030      0.991026
  H      -2.754533      0.698444      2.020214
  H      -5.577112     -2.071552     -0.334053
  H      -6.143012     -1.509814     -2.703791
  H      -4.399265      2.651053     -3.585408
  H      -3.336177      4.437762     -2.144890
  H      -3.113607      4.022756      0.307974
  H      -2.789181      6.071541      5.574871
  H      -3.926781      5.219146      6.624871
  H      -5.283833      6.281321      5.052963
  H      -5.248937      4.600957      4.508855
  H      -3.186347      5.405149      3.021328
  H      -3.993498      6.995499      3.135865
  H      -6.146563      7.632097      3.428325
  H      -8.437785      8.403576      2.931476
  H     -10.173248      5.684240     -0.352218
  H      -9.267905      3.689284     -1.617444
  H      -6.995443      2.836001     -1.052770
  H      -6.865808      1.480967      7.297722
  H      -6.617558      1.699247      5.553416
  H      -6.197163      4.250938      6.263375
  H      -7.214041      3.836880      7.641349
  H      -8.480339      4.830756      5.746150
  H      -9.084386      3.198242      6.163150
  H     -10.241918      4.792494      4.482260
  H     -12.023351      4.611611      2.786543
  H     -10.895229      1.229806     -0.091957
  H      -8.878922     -0.292852     -0.319259
  H      -6.950081      0.049518      1.227290
  N      -4.653742      2.348817      3.742368
  N      -5.263191      2.565865      2.527400
  H      -6.267378      2.146783      2.503742
  H      -4.663384      2.203491      1.703224
  H      -5.347633      3.586023      2.321300
103
Coordinates from ORCA-job orca E -6485.323823128620
  N      -2.865855      0.363225      4.980299
  Mo     -3.655485      2.169892      5.235826
  N      -4.938398      2.104415      6.708993
  C      -4.466782      2.164993      8.094535
  C      -3.118656      1.462441      8.182861
  N      -2.252527      1.929466      7.069997
  C      -1.223971      0.932176      6.682289
  C      -1.872774     -0.186425      5.895446
  C      -1.621290      3.244795      7.349936
  C      -1.449405      3.950001      6.008060
  N      -2.739572      3.984335      5.324952
  H      -1.087340     -0.749964      5.358506
  H      -2.360942     -0.915984      6.573640
  H      -0.495254      1.453742      6.048019
  H      -0.690726      0.549078      7.569796
  H      -1.051323      4.967933      6.160628
  H      -0.711001      3.413563      5.389654
  H      -2.306557      3.826573      7.981581
  H      -0.674858      3.109907      7.902489
  H      -5.183377      1.660983      8.766308
  H      -4.386897      3.212019      8.444941
  H      -3.272195      0.382547      8.053382
  H      -2.628431      1.628840      9.157492
  C      -3.576207     -0.698646      4.254539
  C      -2.813489     -1.228936      3.030257
  C      -2.958221     -0.352223      1.803262
  O      -4.337526     -0.501696      1.329385
  C      -4.594112     -0.202511      0.026361
  C      -5.254921     -1.134627     -0.758904
  C      -5.553234     -0.822637     -2.100707
  N      -5.216162      0.308949     -2.705940
  C      -4.586778      1.247224     -1.943886
  C      -4.226380      2.488859     -2.525578
  C      -3.673680      3.474185     -1.732408
  C      -3.517154      3.235337     -0.354201
  N      -3.808792      2.075182      0.229150
  C      -4.295538      1.066447     -0.552494
  C      -3.480834      5.220849      5.596264
  C      -4.618205      5.509695      4.618204
  C      -4.122391      5.906844      3.234064
  O      -5.003376      5.443357      2.176413
  C      -6.228658      6.002323      2.021530
  C      -6.714665      7.109161      2.693411
  C      -8.025988      7.555896      2.407380
  N      -8.847681      7.007367      1.527879
  C      -8.372054      5.925488      0.842251
  C      -9.184276      5.308995     -0.140996
  C      -8.697734      4.220113     -0.831604
  C      -7.409444      3.731117     -0.522416
  N      -6.615767      4.269702      0.392002
  C      -7.074712      5.364597      1.055845
  C      -6.390399      2.127980      6.530476
  C      -6.976862      3.553600      6.595514
  C      -8.231693      3.754374      5.763174
  O      -7.968771      3.287118      4.414541
  C      -9.009703      3.276664      3.552752
  C     -10.149656      4.056796      3.671401
  C     -11.174707      3.930779      2.710461
  N     -11.173712      3.069608      1.705541
  C     -10.071195      2.275461      1.586914
  C     -10.037525      1.299141      0.560760
  C      -8.931171      0.485449      0.430784
  C      -7.844908      0.675501      1.304397
  N      -7.828598      1.582887      2.276797
  C      -8.933608      2.363982      2.450642
  H      -3.763622     -1.534636      4.954436
  H      -4.559946     -0.332251      3.934452
  H      -1.741316     -1.318255      3.266099
  H      -3.168801     -2.242260      2.784700
  H      -2.285334     -0.681193      0.996959
  H      -2.754087      0.703923      2.027727
  H      -5.524295     -2.104019     -0.338190
  H      -6.081866     -1.558699     -2.713823
  H      -4.417535      2.636215     -3.589425
  H      -3.390518      4.442026     -2.146475
  H      -3.165007      4.031452      0.306474
  H      -2.768328      6.067506      5.568590
  H      -3.908277      5.220323      6.620558
  H      -5.260777      6.289531      5.050707
  H      -5.237585      4.607724      4.509725
  H      -3.175832      5.395798      3.013332
  H      -3.970829      6.992069      3.128910
  H      -6.118444      7.643294      3.431152
  H      -8.408453      8.427072      2.949035
  H     -10.179443      5.716774     -0.322882
  H      -9.292984      3.719740     -1.596034
  H      -7.020689      2.851903     -1.044520
  H      -6.867292      1.483937      7.291419
  H      -6.614165      1.699595      5.547536
  H      -6.207962      4.253903      6.246838
  H      -7.216879      3.840867      7.630993
  H      -8.499076      4.822473      5.743198
  H      -9.089666      3.184273      6.156966
  H     -10.266843      4.772961      4.482517
  H     -12.050728      4.581236      2.791863
  H     -10.901248      1.220163     -0.100994
  H      -8.873123     -0.284089     -0.339522
  H      -6.942553      0.068658      1.202358
  N      -4.657550      2.348736      3.746121
  N      -5.264245      2.567352      2.530016
  H      -6.269295      2.152180      2.505251
  H      -4.666199      2.202149      1.704817
  H      -5.344950      3.587735      2.323353
103
Coordinates from ORCA-job orca E -6485.324022670419
  N      -2.872223      0.359282      4.987010
  Mo     -3.655672      2.169260      5.234294
  N      -4.940672      2.114026      6.705415
  C      -4.470433      2.183363      8.091053
  C      -3.125698      1.475483      8.186952
  N      -2.255468      1.930236      7.072302
  C      -1.232691      0.923906      6.692795
  C      -1.887415     -0.193354      5.909634
  C      -1.615834      3.243031      7.344446
  C      -1.438467      3.938542      5.998046
  N      -2.728700      3.979046      5.315326
  H      -1.105088     -0.766849      5.378796
  H      -2.384828     -0.914823      6.589742
  H      -0.498166      1.436891      6.058215
  H      -0.705101      0.541672      7.584018
  H      -1.032589      4.954339      6.144583
  H      -0.704468      3.392941      5.382482
  H      -2.297683      3.833424      7.971814
  H      -0.670758      3.105495      7.898660
  H      -5.190100      1.687893      8.765860
  H      -4.386210      3.232717      8.433321
  H      -3.283717      0.395304      8.065468
  H      -2.636584      1.647135      9.161237
  C      -3.577355     -0.702153      4.255673
  C      -2.805451     -1.227699      3.035053
  C      -2.950231     -0.350553      1.808368
  O      -4.328582     -0.501976      1.333614
  C      -4.579582     -0.213799      0.026671
  C      -5.220812     -1.159187     -0.758830
  C      -5.513949     -0.857417     -2.104162
  N      -5.190820      0.277208     -2.711142
  C      -4.580629      1.228010     -1.948949
  C      -4.234227      2.471998     -2.534053
  C      -3.696930      3.467213     -1.742424
  C      -3.541973      3.235522     -0.363095
  N      -3.822124      2.074205      0.224257
  C      -4.294439      1.056676     -0.555256
  C      -3.463896      5.218490      5.589804
  C      -4.602774      5.512418      4.615122
  C      -4.110126      5.907764      3.229444
  O      -4.997937      5.449063      2.175291
  C      -6.222248      6.012783      2.029877
  C      -6.699165      7.119844      2.707955
  C      -8.011259      7.571531      2.433848
  N      -8.841981      7.027423      1.560139
  C      -8.375057      5.946179      0.867544
  C      -9.196933      5.334884     -0.110761
  C      -8.718388      4.248105     -0.810253
  C      -7.428316      3.755426     -0.514361
  N      -6.626394      4.288043      0.396408
  C      -7.077549      5.381008      1.068520
  C      -6.392554      2.134520      6.525388
  C      -6.980972      3.559284      6.582874
  C      -8.240024      3.751359      5.755500
  O      -7.980435      3.278777      4.408239
  C      -9.023527      3.263722      3.549982
  C     -10.171401      4.030789      3.676983
  C     -11.197522      3.900971      2.717543
  N     -11.189429      3.048475      1.705359
  C     -10.078893      2.266857      1.578477
  C     -10.037440      1.299198      0.544399
  C      -8.923900      0.497038      0.406466
  C      -7.838602      0.689649      1.281054
  N      -7.829787      1.588887      2.260718
  C      -8.941004      2.359298      2.441325
  H      -3.768010     -1.539563      4.952833
  H      -4.559458     -0.336121      3.930206
  H      -1.733912     -1.310614      3.276091
  H      -3.153670     -2.242719      2.786546
  H      -2.275453     -0.677530      1.002828
  H      -2.748427      0.705928      2.033924
  H      -5.478631     -2.130502     -0.335393
  H      -6.025614     -1.604729     -2.718095
  H      -4.422510      2.612832     -3.599286
  H      -3.424498      4.437077     -2.158937
  H      -3.201415      4.038375      0.295364
  H      -2.748096      6.062344      5.561533
  H      -3.889364      5.218516      6.614939
  H      -5.240346      6.295032      5.050004
  H      -5.225920      4.612771      4.508649
  H      -3.166768      5.392677      3.004531
  H      -3.953894      6.992331      3.124141
  H      -6.095304      7.650429      3.441964
  H      -8.386365      8.442674      2.980667
  H     -10.192758      5.745375     -0.282836
  H      -9.321867      3.753300     -1.571834
  H      -7.044805      2.878103     -1.043619
  H      -6.869264      1.493550      7.289047
  H      -6.614454      1.700999      5.544289
  H      -6.215657      4.258715      6.224656
  H      -7.215892      3.854080      7.617434
  H      -8.511372      4.818412      5.731678
  H      -9.094401      3.179973      6.155194
  H     -10.295049      4.739273      4.493874
  H     -12.081032      4.540245      2.807167
  H     -10.901435      1.217240     -0.116643
  H      -8.859776     -0.265488     -0.370301
  H      -6.931227      0.091405      1.173182
  N      -4.664068      2.348379      3.748112
  N      -5.264885      2.570121      2.529205
  H      -6.270192      2.156696      2.499588
  H      -4.666768      2.205116      1.701479
  H      -5.344112      3.590974      2.324828
103
Coordinates from ORCA-job orca E -6485.324199332309
  N      -2.876596      0.357121      4.993760
  Mo     -3.655486      2.169607      5.233688
  N      -4.942502      2.122749      6.702762
  C      -4.473918      2.199979      8.088569
  C      -3.131964      1.487669      8.191505
  N      -2.257741      1.931504      7.075671
  C      -1.240020      0.917300      6.703721
  C      -1.899418     -0.198409      5.922949
  C      -1.610471      3.241741      7.341195
  C      -1.427931      3.928526      5.990889
  N      -2.717843      3.974346      5.308080
  H      -1.119532     -0.780094      5.397495
  H      -2.404972     -0.913192      6.604105
  H      -0.499832      1.422714      6.069623
  H      -0.718101      0.535517      7.598438
  H      -1.015323      4.942398      6.132072
  H      -0.697765      3.374697      5.378188
  H      -2.289129      3.839997      7.964567
  H      -0.666724      3.101625      7.897000
  H      -5.196216      1.711728      8.765808
  H      -4.386359      3.251315      8.423826
  H      -3.293845      0.407309      8.076946
  H      -2.644225      1.663889      9.165685
  C      -3.575704     -0.704086      4.256297
  C      -2.794708     -1.222937      3.038620
  C      -2.942433     -0.345604      1.812500
  O      -4.319324     -0.504152      1.336760
  C      -4.566586     -0.227450      0.026418
  C      -5.188023     -1.186394     -0.758475
  C      -5.478085     -0.894855     -2.106761
  N      -5.171049      0.243013     -2.715957
  C      -4.579789      1.206415     -1.954552
  C      -4.250905      2.453596     -2.542970
  C      -3.730143      3.459190     -1.753218
  C      -3.573653      3.233877     -0.373156
  N      -3.838473      2.070620      0.217682
  C      -4.296086      1.044319     -0.559231
  C      -3.447426      5.216398      5.585706
  C      -4.587483      5.514556      4.614137
  C      -4.096599      5.908387      3.227572
  O      -4.990503      5.455878      2.175882
  C      -6.212668      6.025903      2.037963
  C      -6.680336      7.134004      2.720809
  C      -7.991693      7.592650      2.455175
  N      -8.830047      7.054183      1.585270
  C      -8.372068      5.972374      0.887651
  C      -9.202175      5.367017     -0.087201
  C      -8.732050      4.280608     -0.792968
  C      -7.442087      3.781873     -0.506396
  N      -6.633204      4.308037      0.402021
  C      -7.076078      5.400757      1.079749
  C      -6.394248      2.138616      6.520571
  C      -6.988361      3.560934      6.572512
  C      -8.252071      3.741177      5.749813
  O      -7.992122      3.272288      4.401250
  C      -9.037342      3.251104      3.545803
  C     -10.191821      4.007032      3.679151
  C     -11.219509      3.872110      2.721953
  N     -11.205907      3.025476      1.704997
  C     -10.088378      2.255041      1.571331
  C     -10.039946      1.294689      0.530711
  C      -8.919185      0.504301      0.384896
  C      -7.834157      0.701140      1.259119
  N      -7.832209      1.593262      2.244963
  C      -8.949686      2.352548      2.432569
  H      -3.767445     -1.544005      4.949986
  H      -4.557098     -0.339949      3.926695
  H      -1.723552     -1.297062      3.284256
  H      -3.133591     -2.240371      2.787213
  H      -2.264608     -0.667992      1.007713
  H      -2.746653      0.711914      2.039261
  H      -5.432979     -2.159718     -0.332089
  H      -5.973095     -1.653386     -2.720669
  H      -4.438400      2.588098     -3.609143
  H      -3.471351      4.431813     -2.171913
  H      -3.245129      4.043587      0.282921
  H      -2.728596      6.057647      5.556538
  H      -3.870682      5.217057      6.611745
  H      -5.221006      6.299334      5.050878
  H      -5.213623      4.616747      4.509454
  H      -3.156793      5.388546      2.998833
  H      -3.934739      6.992207      3.122896
  H      -6.069788      7.660249      3.452344
  H      -8.359383      8.464517      3.005839
  H     -10.197401      5.781826     -0.252317
  H      -9.342770      3.791319     -1.552282
  H      -7.064756      2.905013     -1.040854
  H      -6.869983      1.498481      7.285566
  H      -6.613029      1.701435      5.540368
  H      -6.228735      4.262330      6.205963
  H      -7.219493      3.861202      7.606368
  H      -8.534323      4.805470      5.727490
  H      -9.099608      3.161292      6.151937
  H     -10.320205      4.710569      4.499623
  H     -12.109339      4.501610      2.818059
  H     -10.904512      1.209191     -0.129138
  H      -8.849359     -0.251857     -0.397559
  H      -6.921386      0.112242      1.145004
  N      -4.669187      2.349274      3.750234
  N      -5.265214      2.573628      2.528942
  H      -6.271391      2.164399      2.496463
  H      -4.669646      2.205055      1.700103
  H      -5.340768      3.594828      2.324852
103
Coordinates from ORCA-job orca E -6485.324357858522
  N      -2.881695      0.353331      5.002441
  Mo     -3.655233      2.169008      5.233960
  N      -4.944914      2.132555      6.700734
  C      -4.478097      2.220191      8.086494
  C      -3.140176      1.501762      8.198695
  N      -2.260797      1.931528      7.081544
  C      -1.249807      0.907317      6.718817
  C      -1.915273     -0.206260      5.940653
  C      -1.603923      3.238564      7.338920
  C      -1.415623      3.914837      5.983797
  N      -2.705407      3.967575      5.301464
  H      -1.138382     -0.798565      5.422684
  H      -2.431827     -0.912326      6.622652
  H      -0.502881      1.403202      6.085031
  H      -0.734588      0.526039      7.617610
  H      -0.994013      4.926008      6.117955
  H      -0.690973      3.350265      5.374419
  H      -2.278274      3.846280      7.957831
  H      -0.661520      3.095167      7.896122
  H      -5.204025      1.742102      8.767077
  H      -4.385358      3.274087      8.412255
  H      -3.307296      0.421271      8.093174
  H      -2.654237      1.683902      9.172717
  C      -3.572678     -0.706358      4.255156
  C      -2.780525     -1.215204      3.040392
  C      -2.933244     -0.337244      1.815301
  O      -4.309110     -0.503976      1.340439
  C      -4.554272     -0.240757      0.026630
  C      -5.154623     -1.214800     -0.755841
  C      -5.444502     -0.934964     -2.106747
  N      -5.157011      0.205972     -2.719531
  C      -4.585559      1.183366     -1.960729
  C      -4.275927      2.432845     -2.554633
  C      -3.771455      3.449902     -1.768895
  C      -3.612076      3.233101     -0.387841
  N      -3.859956      2.068700      0.208510
  C      -4.302338      1.032296     -0.564018
  C      -3.428984      5.212328      5.583143
  C      -4.570377      5.515656      4.614856
  C      -4.082694      5.911683      3.227891
  O      -4.982230      5.465185      2.178112
  C      -6.203595      6.038918      2.048818
  C      -6.664253      7.145908      2.738346
  C      -7.976446      7.608149      2.483598
  N      -8.822344      7.073794      1.618467
  C      -8.371365      5.993685      0.913684
  C      -9.210275      5.392126     -0.055969
  C      -8.746745      4.308337     -0.770118
  C      -7.454356      3.808302     -0.497086
  N      -6.637883      4.329689      0.407310
  C      -7.074640      5.419627      1.093481
  C      -6.396481      2.145414      6.516276
  C      -6.992892      3.566960      6.557762
  C      -8.260117      3.737653      5.738811
  O      -8.002665      3.264752      4.391201
  C      -9.049435      3.238676      3.538288
  C     -10.211744      3.981323      3.678591
  C     -11.239655      3.842451      2.722008
  N     -11.218551      3.004444      1.698210
  C     -10.093096      2.246785      1.557422
  C     -10.036540      1.294812      0.509621
  C      -8.908967      0.515762      0.357084
  C      -7.825301      0.715823      1.232550
  N      -7.831127      1.600206      2.225051
  C      -8.954689      2.348583      2.418557
  H      -3.766165     -1.550529      4.943055
  H      -4.552978     -0.343938      3.920604
  H      -1.709765     -1.277781      3.291045
  H      -3.107135     -2.235674      2.785125
  H      -2.253004     -0.654396      1.010464
  H      -2.744402      0.721575      2.043112
  H      -5.384335     -2.189920     -0.325189
  H      -5.922492     -1.705586     -2.719121
  H      -4.463745      2.559289     -3.621739
  H      -3.527082      4.424563     -2.191573
  H      -3.296031      4.050826      0.264335
  H      -2.706985      6.050884      5.553915
  H      -3.850196      5.212640      6.610009
  H      -5.201215      6.300407      5.055277
  H      -5.197687      4.618649      4.510063
  H      -3.145468      5.389471      2.994219
  H      -3.917578      6.995293      3.125845
  H      -6.047577      7.668464      3.467336
  H      -8.338318      8.479097      3.039571
  H     -10.206719      5.807924     -0.211160
  H      -9.364638      3.822805     -1.526092
  H      -7.081244      2.934506     -1.039574
  H      -6.872547      1.509870      7.284909
  H      -6.612967      1.701329      5.538686
  H      -6.236630      4.266955      6.181675
  H      -7.220415      3.876221      7.589806
  H      -8.547736      4.800414      5.713065
  H      -9.103616      3.155492      6.146195
  H     -10.346939      4.677966      4.503757
  H     -12.136525      4.460894      2.825049
  H     -10.901155      1.206183     -0.149797
  H      -8.833331     -0.234192     -0.430769
  H      -6.907647      0.135543      1.113552
  N      -4.674345      2.349338      3.753895
  N      -5.262692      2.576857      2.529040
  H      -6.269144      2.169101      2.490961
  H      -4.667439      2.207774      1.698938
  H      -5.336916      3.598407      2.327391
103
Coordinates from ORCA-job orca E -6485.324494942699
  N      -2.887024      0.350761      5.010499
  Mo     -3.656422      2.169015      5.233099
  N      -4.947326      2.143047      6.698777
  C      -4.481508      2.240897      8.084145
  C      -3.147128      1.517037      8.204379
  N      -2.263586      1.933282      7.085576
  C      -1.259021      0.899927      6.731723
  C      -1.929939     -0.211930      5.956465
  C      -1.597596      3.237174      7.334321
  C      -1.404671      3.902495      5.974273
  N      -2.694625      3.961011      5.293009
  H      -1.155842     -0.813537      5.445033
  H      -2.455699     -0.910152      6.639531
  H      -0.505682      1.386588      6.098318
  H      -0.750102      0.519262      7.634341
  H      -0.974774      4.911177      6.100811
  H      -0.685645      3.327567      5.368007
  H      -2.267344      3.854280      7.948926
  H      -0.656217      3.091002      7.892481
  H      -5.210231      1.772085      8.768179
  H      -4.384323      3.297137      8.400997
  H      -3.319424      0.436569      8.107087
  H      -2.662302      1.704429      9.177982
  C      -3.570387     -0.708322      4.255434
  C      -2.767132     -1.208932      3.044399
  C      -2.922888     -0.332057      1.819085
  O      -4.297302     -0.505893      1.343565
  C      -4.539933     -0.253873      0.026993
  C      -5.123595     -1.239945     -0.752809
  C      -5.412289     -0.970638     -2.106101
  N      -5.140747      0.172277     -2.722447
  C      -4.585605      1.161198     -1.966331
  C      -4.293166      2.412596     -2.564926
  C      -3.802339      3.439218     -1.782956
  C      -3.638626      3.229295     -0.401358
  N      -3.871310      2.064113      0.199488
  C      -4.301896      1.019526     -0.568693
  C      -3.411903      5.208949      5.577983
  C      -4.554473      5.517068      4.613092
  C      -4.068672      5.913186      3.225740
  O      -4.974628      5.473952      2.178548
  C      -6.194083      6.053524      2.058286
  C      -6.645807      7.160439      2.753896
  C      -7.957568      7.628973      2.508667
  N      -8.811212      7.100455      1.647512
  C      -8.368986      6.020683      0.936717
  C      -9.216416      5.424851     -0.029007
  C      -8.760808      4.342427     -0.750433
  C      -7.467751      3.837890     -0.488402
  N      -6.644281      4.352933      0.413214
  C      -7.073355      5.441384      1.106200
  C      -6.398724      2.150026      6.512957
  C      -7.001451      3.568791      6.546653
  C      -8.273371      3.725329      5.732767
  O      -8.015082      3.256596      4.383783
  C      -9.063769      3.223902      3.533483
  C     -10.232964      3.954077      3.680930
  C     -11.262224      3.810431      2.726365
  N     -11.235280      2.979413      1.697112
  C     -10.102447      2.234228      1.548677
  C     -10.038448      1.290969      0.493539
  C      -8.903136      0.525271      0.332047
  C      -7.819724      0.729877      1.206951
  N      -7.832729      1.605931      2.206555
  C      -8.963212      2.341312      2.408160
  H      -3.764900     -1.556116      4.938432
  H      -4.549878     -0.348223      3.916186
  H      -1.697125     -1.260398      3.300815
  H      -3.082270     -2.232353      2.786627
  H      -2.239864     -0.645506      1.015197
  H      -2.740189      0.727919      2.046861
  H      -5.341309     -2.216026     -0.318218
  H      -5.875586     -1.751399     -2.717019
  H      -4.482257      2.532265     -3.632587
  H      -3.571189      4.415671     -2.208840
  H      -3.332297      4.053437      0.247242
  H      -2.686292      6.044357      5.547228
  H      -3.830247      5.210199      6.605957
  H      -5.182596      6.302564      5.055964
  H      -5.183481      4.621187      4.508702
  H      -3.135266      5.386114      2.987772
  H      -3.897788      6.996070      3.125507
  H      -6.022555      7.678224      3.480651
  H      -8.312341      8.499850      3.069303
  H     -10.212635      5.844119     -0.176133
  H      -9.385573      3.861726     -1.503770
  H      -7.100197      2.966024     -1.037773
  H      -6.873120      1.516643      7.284455
  H      -6.612616      1.699991      5.537445
  H      -6.251317      4.270224      6.160956
  H      -7.225560      3.884961      7.577369
  H      -8.573935      4.784545      5.708555
  H      -9.108414      3.132980      6.143038
  H     -10.373119      4.644619      4.510403
  H     -12.165527      4.418244      2.836248
  H     -10.903736      1.198668     -0.164511
  H      -8.821401     -0.217469     -0.461991
  H      -6.896349      0.160139      1.080731
  N      -4.680982      2.349137      3.755548
  N      -5.264067      2.579042      2.527683
  H      -6.271171      2.175530      2.485853
  H      -4.671656      2.206005      1.697258
  H      -5.334889      3.600947      2.326652
103
Coordinates from ORCA-job orca E -6485.324606381172
  N      -2.891060      0.349224      5.018373
  Mo     -3.656888      2.169871      5.233761
  N      -4.949671      2.151758      6.697887
  C      -4.485274      2.259018      8.082919
  C      -3.154576      1.529925      8.211307
  N      -2.266542      1.934174      7.091849
  C      -1.268014      0.892501      6.746063
  C      -1.943470     -0.216975      5.971718
  C      -1.592361      3.235032      7.333923
  C      -1.395736      3.891922      5.970130
  N      -2.685977      3.956555      5.290367
  H      -1.171521     -0.826476      5.466376
  H      -2.478087     -0.908645      6.654592
  H      -0.508318      1.370991      6.113971
  H      -0.765575      0.511547      7.652174
  H      -0.957780      4.897943      6.090374
  H      -0.682423      3.307729      5.366071
  H      -2.257697      3.859723      7.945641
  H      -0.651625      3.085926      7.892327
  H      -5.217122      1.799279      8.769751
  H      -4.383586      3.317317      8.391484
  H      -3.331741      0.449614      8.121137
  H      -2.671365      1.721830      9.184846
  C      -3.565775     -0.708388      4.253747
  C      -2.751601     -1.199312      3.045995
  C      -2.912939     -0.323103      1.821009
  O      -4.285934     -0.507655      1.346203
  C      -4.528131     -0.268828      0.027022
  C      -5.092630     -1.269341     -0.748206
  C      -5.382361     -1.013138     -2.103840
  N      -5.130076      0.131093     -2.725712
  C      -4.593303      1.133708     -1.974274
  C      -4.321500      2.386357     -2.579743
  C      -3.846917      3.424868     -1.803591
  C      -3.678914      3.225034     -0.420866
  N      -3.893553      2.059772      0.186745
  C      -4.308590      1.004582     -0.575590
  C      -3.398503      5.206459      5.579164
  C      -4.540851      5.518994      4.615818
  C      -4.055063      5.918075      3.229415
  O      -4.963915      5.485112      2.182117
  C      -6.181568      6.069388      2.068305
  C      -6.625655      7.176513      2.768598
  C      -7.937240      7.649770      2.532238
  N      -8.798065      7.125045      1.676038
  C      -8.363548      6.045422      0.960296
  C      -9.219653      5.452919      0.000180
  C      -8.771490      4.371538     -0.727405
  C      -7.476790      3.864988     -0.477350
  N      -6.645820      4.376042      0.419538
  C      -7.068065      5.462857      1.119293
  C      -6.400731      2.153512      6.510492
  C      -7.007632      3.570465      6.534192
  C      -8.282884      3.715189      5.724026
  O      -8.025224      3.244955      4.375468
  C      -9.075087      3.208234      3.527253
  C     -10.250761      3.926395      3.682232
  C     -11.280187      3.781325      2.727995
  N     -11.246884      2.959930      1.691338
  C     -10.107597      2.226169      1.535410
  C     -10.036665      1.293323      0.471685
  C      -8.895330      0.538703      0.302174
  C      -7.813158      0.743816      1.178622
  N      -7.832591      1.610242      2.186399
  C      -8.968521      2.335103      2.394992
  H      -3.761539     -1.560434      4.930979
  H      -4.544249     -0.350490      3.909474
  H      -1.682265     -1.238530      3.307365
  H      -3.053907     -2.225901      2.785537
  H      -2.227251     -0.631604      1.017478
  H      -2.738369      0.738471      2.048434
  H      -5.295004     -2.246265     -0.308174
  H      -5.829712     -1.805559     -2.711607
  H      -4.512292      2.496887     -3.648085
  H      -3.631184      4.402500     -2.234870
  H      -3.384596      4.057381      0.222741
  H      -2.670171      6.039545      5.549351
  H      -3.816095      5.206644      6.607369
  H      -5.168684      6.303255      5.061111
  H      -5.169638      4.623111      4.509019
  H      -3.123790      5.388452      2.989004
  H      -3.880615      7.000709      3.132462
  H      -5.996455      7.690820      3.492638
  H      -8.285811      8.520813      3.096471
  H     -10.216299      5.874135     -0.138256
  H      -9.402874      3.893503     -1.476899
  H      -7.114032      2.995081     -1.032961
  H      -6.874220      1.523949      7.285710
  H      -6.612305      1.696077      5.537880
  H      -6.261599      4.271302      6.139422
  H      -7.229136      3.894612      7.563014
  H      -8.591531      4.772014      5.697565
  H      -9.112100      3.117684      6.138676
  H     -10.396338      4.608651      4.517575
  H     -12.189343      4.379132      2.844760
  H     -10.901871      1.200001     -0.186332
  H      -8.808227     -0.195880     -0.498792
  H      -6.885578      0.182391      1.045997
  N      -4.685422      2.350870      3.758129
  N      -5.261199      2.584397      2.526681
  H      -6.269160      2.183958      2.479605
  H      -4.669570      2.210180      1.696181
  H      -5.329304      3.606694      2.327971
103
Coordinates from ORCA-job orca E -6485.324688052597
  N      -2.898461      0.343422      5.028279
  Mo     -3.660516      2.166571      5.233611
  N      -4.952617      2.163408      6.698375
  C      -4.487479      2.284071      8.082060
  C      -3.161767      1.547629      8.219014
  N      -2.270283      1.934966      7.096422
  C      -1.279728      0.882567      6.760790
  C      -1.962233     -0.225550      5.991304
  C      -1.585641      3.232475      7.326016
  C      -1.385137      3.874290      5.955443
  N      -2.676251      3.945881      5.277970
  H      -1.194054     -0.846750      5.494455
  H      -2.507604     -0.906853      6.676185
  H      -0.513448      1.349831      6.128171
  H      -0.783584      0.503062      7.670993
  H      -0.936340      4.876882      6.064376
  H      -0.679986      3.276352      5.355378
  H      -2.245040      3.868637      7.932355
  H      -0.645655      3.081155      7.885111
  H      -5.222402      1.837418      8.774216
  H      -4.378662      3.345146      8.378525
  H      -3.346330      0.467706      8.138865
  H      -2.678151      1.745489      9.191196
  C      -3.562612     -0.713002      4.252662
  C      -2.734728     -1.191321      3.048781
  C      -2.901319     -0.315559      1.824283
  O      -4.271770     -0.510460      1.347495
  C      -4.511078     -0.278257      0.026713
  C      -5.059804     -1.287131     -0.748768
  C      -5.348660     -1.036655     -2.105754
  N      -5.112033      0.111096     -2.727506
  C      -4.590936      1.121726     -1.975580
  C      -4.335754      2.377823     -2.581250
  C      -3.873707      3.422325     -1.805517
  C      -3.700702      3.224465     -0.423067
  N      -3.900899      2.056892      0.184801
  C      -4.305129      0.996997     -0.576710
  C      -3.380750      5.199794      5.570347
  C      -4.524331      5.516867      4.610478
  C      -4.040295      5.914345      3.222944
  O      -4.955949      5.488997      2.178394
  C      -6.171077      6.080214      2.072852
  C      -6.605164      7.188707      2.777451
  C      -7.916555      7.667786      2.551585
  N      -8.786467      7.147081      1.701988
  C      -8.361449      6.066997      0.981158
  C      -9.227700      5.478449      0.027683
  C      -8.788378      4.398183     -0.706960
  C      -7.492056      3.888844     -0.470552
  N      -6.652605      4.394867      0.421255
  C      -7.066543      5.480114      1.128327
  C      -6.403711      2.162537      6.510805
  C      -7.011174      3.579278      6.518943
  C      -8.292649      3.711508      5.716839
  O      -8.041356      3.232939      4.370001
  C      -9.093961      3.189698      3.525649
  C     -10.277877      3.892615      3.689323
  C     -11.307853      3.743674      2.736226
  N     -11.267236      2.932391      1.691958
  C     -10.119840      2.213222      1.527381
  C     -10.040633      1.291264      0.454848
  C      -8.891304      0.551293      0.275983
  C      -7.809916      0.760073      1.152741
  N      -7.837080      1.616361      2.168902
  C      -8.980355      2.326920      2.385985
  H      -3.759474     -1.570451      4.922573
  H      -4.539986     -0.357778      3.902752
  H      -1.666455     -1.215831      3.316357
  H      -3.021687     -2.221425      2.784874
  H      -2.211662     -0.617419      1.021599
  H      -2.736436      0.747500      2.052918
  H      -5.250716     -2.265988     -0.307872
  H      -5.781865     -1.836299     -2.714425
  H      -4.528315      2.485619     -3.649601
  H      -3.670650      4.402656     -2.236846
  H      -3.415167      4.060290      0.219948
  H      -2.647881      6.028825      5.537536
  H      -3.794618      5.202202      6.599954
  H      -5.149385      6.302126      5.057607
  H      -5.154911      4.622021      4.504254
  H      -3.113628      5.378170      2.979201
  H      -3.858292      6.995815      3.126692
  H      -5.968588      7.699488      3.497495
  H      -8.257100      8.539849      3.119212
  H     -10.224529      5.902454     -0.100953
  H      -9.427489      3.923643     -1.452133
  H      -7.134755      3.021289     -1.033562
  H      -6.877090      1.541465      7.292964
  H      -6.615109      1.693723      5.543523
  H      -6.268681      4.274946      6.108443
  H      -7.225099      3.917424      7.544905
  H      -8.607132      4.766424      5.684527
  H      -9.115596      3.112380      6.141631
  H     -10.430186      4.565699      4.530774
  H     -12.223941      4.329326      2.860635
  H     -10.906206      1.194429     -0.202252
  H      -8.797334     -0.174732     -0.532045
  H      -6.876826      0.209629      1.012499
  N      -4.696192      2.345029      3.762070
  N      -5.267034      2.578377      2.527374
  H      -6.276560      2.182937      2.477756
  H      -4.678191      2.198339      1.698027
  H      -5.330319      3.600552      2.326450
103
Coordinates from ORCA-job orca E -6485.324753840489
  N      -2.901526      0.345766      5.032418
  Mo     -3.661198      2.170474      5.233467
  N      -4.954347      2.169149      6.697333
  C      -4.490617      2.293564      8.081009
  C      -3.166902      1.554453      8.222162
  N      -2.272409      1.936838      7.100361
  C      -1.285017      0.880595      6.768716
  C      -1.968875     -0.225353      5.997311
  C      -1.583421      3.232227      7.328275
  C      -1.382043      3.871573      5.956717
  N      -2.673932      3.947418      5.281852
  H      -1.201043     -0.847910      5.501580
  H      -2.516926     -0.905782      6.680898
  H      -0.514505      1.344296      6.138618
  H      -0.793584      0.499528      7.680809
  H      -0.928283      4.872236      6.062951
  H      -0.681090      3.268876      5.356586
  H      -2.239670      3.871276      7.934939
  H      -0.643152      3.078457      7.886156
  H      -5.227415      1.850983      8.773764
  H      -4.379743      3.355295      8.374318
  H      -3.354124      0.474857      8.143875
  H      -2.684661      1.753152      9.194839
  C      -3.561239     -0.709889      4.252606
  C      -2.727282     -1.185863      3.052051
  C      -2.894479     -0.311672      1.826681
  O      -4.264044     -0.512732      1.350019
  C      -4.504066     -0.291843      0.027602
  C      -5.039350     -1.313224     -0.740699
  C      -5.326463     -1.078336     -2.100682
  N      -5.101778      0.066741     -2.731347
  C      -4.594381      1.089709     -1.986833
  C      -4.352452      2.343019     -2.603175
  C      -3.902357      3.399060     -1.836666
  C      -3.727700      3.215204     -0.452176
  N      -3.916688      2.051159      0.166220
  C      -4.309417      0.980481     -0.586403
  C      -3.375226      5.202927      5.575208
  C      -4.515865      5.523925      4.613577
  C      -4.027641      5.921144      3.227834
  O      -4.945331      5.502145      2.182617
  C      -6.157817      6.099675      2.081623
  C      -6.582439      7.211303      2.787163
  C      -7.891946      7.697792      2.566885
  N      -8.768861      7.181065      1.722156
  C      -8.353404      6.097942      1.000493
  C      -9.227900      5.513064      0.052244
  C      -8.798114      4.430414     -0.684493
  C      -7.502846      3.914848     -0.455069
  N      -6.656849      4.416943      0.432559
  C      -7.061031      5.504268      1.141732
  C      -6.405036      2.159472      6.508459
  C      -7.021355      3.572165      6.513691
  C      -8.305984      3.692463      5.715305
  O      -8.051973      3.222406      4.366023
  C      -9.105599      3.173455      3.523353
  C     -10.296439      3.862769      3.694779
  C     -11.326493      3.711019      2.742315
  N     -11.278833      2.909401      1.690918
  C     -10.124576      2.203287      1.518764
  C     -10.037596      1.291946      0.437870
  C      -8.881119      0.565400      0.251014
  C      -7.800706      0.777155      1.128347
  N      -7.835040      1.623636      2.152443
  C      -8.985195      2.320600      2.377052
  H      -3.760317     -1.568419      4.920447
  H      -4.537234     -0.355166      3.898387
  H      -1.659914     -1.205227      3.323522
  H      -3.008599     -2.217350      2.787636
  H      -2.203190     -0.612958      1.025196
  H      -2.732933      0.752230      2.053369
  H      -5.219903     -2.290442     -0.292033
  H      -5.746765     -1.888785     -2.704125
  H      -4.545082      2.439219     -3.672601
  H      -3.709910      4.377558     -2.276963
  H      -3.450369      4.059424      0.183293
  H      -2.639725      6.029679      5.544804
  H      -3.791224      5.204991      6.603846
  H      -5.140984      6.309584      5.059769
  H      -5.147428      4.630091      4.504392
  H      -3.103717      5.379956      2.984962
  H      -3.839409      7.001677      3.133347
  H      -5.939735      7.719021      3.503872
  H      -8.224823      8.572424      3.135017
  H     -10.223070      5.942392     -0.071260
  H      -9.443351      3.959136     -1.426332
  H      -7.151960      3.046089     -1.020192
  H      -6.875510      1.537133      7.291422
  H      -6.612984      1.686993      5.542129
  H      -6.285001      4.271294      6.098317
  H      -7.234297      3.911785      7.539356
  H      -8.632859      4.743777      5.687077
  H      -9.120662      3.082099      6.140017
  H     -10.454240      4.526429      4.542658
  H     -12.248690      4.285486      2.873172
  H     -10.903013      1.192163     -0.218921
  H      -8.780802     -0.152142     -0.563730
  H      -6.862523      0.237133      0.981161
  N      -4.697089      2.351222      3.760778
  N      -5.263097      2.589712      2.523699
  H      -6.273080      2.197759      2.469930
  H      -4.675455      2.209454      1.694486
  H      -5.323509      3.612638      2.326167
103
Coordinates from ORCA-job orca E -6485.324799003131
  N      -2.907314      0.342958      5.039743
  Mo     -3.666000      2.168732      5.235335
  N      -4.957413      2.175590      6.700736
  C      -4.492828      2.309225      8.083151
  C      -3.172335      1.565831      8.229240
  N      -2.276606      1.938080      7.105215
  C      -1.293859      0.875648      6.779655
  C      -1.981625     -0.229479      6.010706
  C      -1.581997      3.231800      7.325111
  C      -1.378997      3.861380      5.949147
  N      -2.671584      3.941864      5.276084
  H      -1.215767     -0.858558      5.520149
  H      -2.535927     -0.903948      6.695191
  H      -0.519356      1.332752      6.149637
  H      -0.806518      0.495418      7.694312
  H      -0.917702      4.859467      6.047417
  H      -0.684026      3.249231      5.351737
  H      -2.234774      3.877476      7.928499
  H      -0.641915      3.077419      7.883179
  H      -5.231215      1.875228      8.779606
  H      -4.377335      3.372688      8.368277
  H      -3.364084      0.486574      8.156998
  H      -2.689267      1.768070      9.200796
  C      -3.557230     -0.712398      4.251194
  C      -2.711742     -1.178297      3.054437
  C      -2.883854     -0.305003      1.829130
  O      -4.249692     -0.520010      1.348563
  C      -4.487023     -0.303478      0.025076
  C      -5.005310     -1.332103     -0.745116
  C      -5.292514     -1.100479     -2.105780
  N      -5.083949      0.048664     -2.734804
  C      -4.592711      1.078172     -1.988410
  C      -4.369246      2.336059     -2.602577
  C      -3.934467      3.397317     -1.834353
  C      -3.756056      3.213542     -0.450283
  N      -3.928743      2.046042      0.166096
  C      -4.307421      0.971432     -0.587920
  C      -3.367365      5.200689      5.568955
  C      -4.506393      5.524226      4.606515
  C      -4.013993      5.915106      3.220405
  O      -4.935316      5.503136      2.175991
  C      -6.142001      6.112155      2.077150
  C      -6.552690      7.231032      2.779547
  C      -7.858701      7.728614      2.563813
  N      -8.745115      7.215318      1.726936
  C      -8.343155      6.125222      1.007993
  C      -9.228770      5.542601      0.068666
  C      -8.811967      4.454327     -0.667175
  C      -7.517988      3.931586     -0.446299
  N      -6.662596      4.430188      0.434280
  C      -7.054603      5.521851      1.143575
  C      -6.407937      2.160684      6.513111
  C      -7.026182      3.572022      6.505857
  C      -8.315396      3.679391      5.714220
  O      -8.064669      3.200564      4.367624
  C      -9.120032      3.149466      3.528361
  C     -10.316241      3.826529      3.710702
  C     -11.347717      3.676608      2.759457
  N     -11.295453      2.888315      1.698221
  C     -10.135995      2.193372      1.515716
  C     -10.044477      1.296065      0.423572
  C      -8.883437      0.580044      0.226132
  C      -7.803334      0.787765      1.105058
  N      -7.841499      1.621549      2.139387
  C      -8.995822      2.308699      2.373452
  H      -3.756963     -1.574834      4.913694
  H      -4.532284     -0.360682      3.891571
  H      -1.645556     -1.185117      3.331201
  H      -2.979533     -2.212737      2.787560
  H      -2.187012     -0.598477      1.029524
  H      -2.734072      0.760484      2.057006
  H      -5.172722     -2.312173     -0.297268
  H      -5.699247     -1.916549     -2.710874
  H      -4.563141      2.431199     -3.671903
  H      -3.756355      4.379201     -2.273128
  H      -3.489673      4.060373      0.186428
  H      -2.628285      6.024209      5.536833
  H      -3.782916      5.206012      6.597688
  H      -5.129345      6.313346      5.049824
  H      -5.140985      4.632217      4.498559
  H      -3.095090      5.364760      2.978976
  H      -3.815343      6.993641      3.124153
  H      -5.901690      7.736091      3.490638
  H      -8.180402      8.609114      3.129348
  H     -10.221732      5.978686     -0.049212
  H      -9.465849      3.984735     -1.402516
  H      -7.176084      3.059827     -1.012339
  H      -6.876920      1.544410      7.301793
  H      -6.615449      1.678868      5.551249
  H      -6.293788      4.267130      6.076735
  H      -7.232854      3.923454      7.528854
  H      -8.648355      4.728643      5.679244
  H      -9.124224      3.067376      6.147718
  H     -10.477340      4.478543      4.567042
  H     -12.275219      4.240385      2.899914
  H     -10.910269      1.198256     -0.233050
  H      -8.779536     -0.126362     -0.597806
  H      -6.862259      0.255017      0.949606
  N      -4.706591      2.347577      3.765101
  N      -5.268768      2.586755      2.525300
  H      -6.279725      2.196861      2.468258
  H      -4.680634      2.204601      1.698519
  H      -5.326392      3.609608      2.326451
103
Coordinates from ORCA-job orca E -6485.324839765508
  N      -2.915314      0.341961      5.043863
  Mo     -3.667244      2.171106      5.234392
  N      -4.957763      2.186044      6.700306
  C      -4.492379      2.324347      8.082017
  C      -3.175634      1.574511      8.231183
  N      -2.277788      1.938159      7.105918
  C      -1.300802      0.869376      6.784191
  C      -1.994056     -0.233403      6.017162
  C      -1.575943      3.228724      7.321045
  C      -1.371841      3.853061      5.942817
  N      -2.665443      3.940159      5.272822
  H      -1.231291     -0.867873      5.528763
  H      -2.552838     -0.903186      6.702585
  H      -0.522727      1.320403      6.154256
  H      -0.817024      0.488431      7.700431
  H      -0.903417      4.848266      6.036650
  H      -0.682730      3.233924      5.345855
  H      -2.224122      3.879690      7.923677
  H      -0.635805      3.070910      7.878061
  H      -5.232941      1.897976      8.780806
  H      -4.370916      3.388552      8.361728
  H      -3.373277      0.496074      8.162370
  H      -2.691451      1.777337      9.202073
  C      -3.564219     -0.711563      4.252211
  C      -2.715028     -1.177274      3.057979
  C      -2.885301     -0.304545      1.831971
  O      -4.249955     -0.520904      1.348917
  C      -4.483195     -0.308536      0.024137
  C      -4.993028     -1.341939     -0.745313
  C      -5.274630     -1.116241     -2.108084
  N      -5.069616      0.032264     -2.739304
  C      -4.587755      1.066652     -1.993574
  C      -4.369491      2.324056     -2.610442
  C      -3.943302      3.389890     -1.843956
  C      -3.767774      3.210957     -0.458768
  N      -3.936575      2.044479      0.160662
  C      -4.307342      0.965682     -0.591583
  C      -3.354105      5.201548      5.569153
  C      -4.493267      5.528754      4.608470
  C      -4.001274      5.914775      3.220726
  O      -4.928085      5.509713      2.177865
  C      -6.130514      6.127928      2.080698
  C      -6.529639      7.252751      2.780391
  C      -7.832567      7.759830      2.568306
  N      -8.726738      7.250273      1.737367
  C      -8.336151      6.154961      1.020371
  C      -9.231460      5.575611      0.088300
  C      -8.827065      4.482214     -0.646457
  C      -7.535126      3.951579     -0.432275
  N      -6.671133      4.446378      0.442108
  C      -7.051211      5.542422      1.151527
  C      -6.408441      2.168916      6.511402
  C      -7.029734      3.578998      6.493038
  C      -8.326254      3.674602      5.711096
  O      -8.082748      3.189225      4.365529
  C      -9.141216      3.124080      3.530830
  C     -10.348600      3.780491      3.718299
  C     -11.377745      3.620193      2.766308
  N     -11.312769      2.841475      1.698685
  C     -10.142760      2.165886      1.511570
  C     -10.036161      1.279592      0.411601
  C      -8.864168      0.582702      0.210003
  C      -7.789094      0.798216      1.093189
  N      -7.841125      1.622890      2.133931
  C      -9.005347      2.291495      2.371339
  H      -3.768177     -1.574198      4.913118
  H      -4.537117     -0.357475      3.889098
  H      -1.649552     -1.182629      3.337484
  H      -2.980823     -2.212067      2.790584
  H      -2.186645     -0.597957      1.033915
  H      -2.736759      0.761224      2.059524
  H      -5.158007     -2.321298     -0.295052
  H      -5.673242     -1.936688     -2.712714
  H      -4.560300      2.415125     -3.680676
  H      -3.769787      4.371435     -2.285361
  H      -3.507276      4.060940      0.176154
  H      -2.611336      6.021691      5.535941
  H      -3.767759      5.208301      6.598590
  H      -5.111677      6.321251      5.051462
  H      -5.131718      4.639022      4.503090
  H      -3.087381      5.356715      2.977962
  H      -3.793357      6.991500      3.123500
  H      -5.871974      7.755262      3.487116
  H      -8.144860      8.644895      3.131945
  H     -10.221945      6.018586     -0.024845
  H      -9.489050      4.015355     -1.376241
  H      -7.202346      3.076361     -0.998255
  H      -6.877089      1.557972      7.304416
  H      -6.614796      1.679386      5.553168
  H      -6.302388      4.270731      6.049639
  H      -7.228319      3.941160      7.513877
  H      -8.665305      4.721739      5.671690
  H      -9.128264      3.060934      6.154803
  H     -10.520640      4.424130      4.578682
  H     -12.314122      4.167855      2.910989
  H     -10.899334      1.174460     -0.247315
  H      -8.747977     -0.114615     -0.620101
  H      -6.840448      0.279976      0.935254
  N      -4.709900      2.351939      3.765597
  N      -5.271153      2.592090      2.525396
  H      -6.283966      2.207674      2.470488
  H      -4.687674      2.203842      1.698658
  H      -5.322936      3.614816      2.324315
103
Coordinates from ORCA-job orca E -6485.324884139326
  N      -2.923849      0.340865      5.047973
  Mo     -3.671158      2.172124      5.235497
  N      -4.959287      2.193525      6.703270
  C      -4.492575      2.336094      8.084017
  C      -3.178430      1.582118      8.234493
  N      -2.280620      1.939259      7.107143
  C      -1.307643      0.865983      6.787835
  C      -2.004956     -0.235856      6.022902
  C      -1.573915      3.227955      7.317591
  C      -1.368960      3.846585      5.936876
  N      -2.663308      3.938099      5.268861
  H      -1.244373     -0.873975      5.535895
  H      -2.566274     -0.902274      6.709524
  H      -0.527635      1.312698      6.157255
  H      -0.825742      0.485139      7.705117
  H      -0.894787      4.839510      6.025985
  H      -0.684486      3.221106      5.341206
  H      -2.219070      3.883308      7.918699
  H      -0.633801      3.068545      7.874214
  H      -5.233935      1.915160      8.785193
  H      -4.366970      3.400965      8.359154
  H      -3.380255      0.504252      8.168782
  H      -2.692313      1.785760      9.204254
  C      -3.571442     -0.711719      4.253948
  C      -2.718518     -1.177563      3.062238
  C      -2.884528     -0.304384      1.835874
  O      -4.246780     -0.522391      1.347027
  C      -4.475324     -0.308893      0.021652
  C      -4.977375     -1.343714     -0.750981
  C      -5.253092     -1.118291     -2.115027
  N      -5.049797      0.031475     -2.744418
  C      -4.575906      1.067272     -1.995669
  C      -4.360308      2.326030     -2.610737
  C      -3.941511      3.393028     -1.841968
  C      -3.769751      3.213516     -0.456325
  N      -3.936599      2.046111      0.161697
  C      -4.301062      0.966510     -0.592485
  C      -3.344812      5.204383      5.560861
  C      -4.482334      5.534271      4.599030
  C      -3.987510      5.906437      3.208704
  O      -4.921539      5.507810      2.169955
  C      -6.116664      6.140194      2.072031
  C      -6.499360      7.275539      2.763845
  C      -7.796307      7.797586      2.551311
  N      -8.699590      7.292537      1.727335
  C      -8.325356      6.186178      1.018695
  C      -9.231837      5.609238      0.095753
  C      -8.844019      4.504336     -0.630741
  C      -7.557115      3.961076     -0.418248
  N      -6.683710      4.452665      0.448540
  C      -7.047523      5.558895      1.150520
  C      -6.409960      2.169458      6.515623
  C      -7.037110      3.576499      6.489237
  C      -8.339609      3.658158      5.716287
  O      -8.098917      3.169876      4.371538
  C      -9.159749      3.095473      3.541301
  C     -10.375049      3.734400      3.738130
  C     -11.404958      3.568426      2.787993
  N     -11.332391      2.801069      1.712637
  C     -10.154479      2.141950      1.516607
  C     -10.039299      1.267809      0.407790
  C      -8.859977      0.585890      0.198403
  C      -7.786205      0.804668      1.082603
  N      -7.845578      1.619530      2.130683
  C      -9.016983      2.272873      2.375520
  H      -3.778938     -1.574284      4.913823
  H      -4.542490     -0.355975      3.887477
  H      -1.653949     -1.183187      3.345151
  H      -2.983624     -2.212182      2.793491
  H      -2.182030     -0.596297      1.040625
  H      -2.738316      0.761443      2.064816
  H      -5.140223     -2.324106     -0.302036
  H      -5.644985     -1.940089     -2.722177
  H      -4.547250      2.417173     -3.681662
  H      -3.770929      4.375599     -2.282243
  H      -3.514303      4.063955      0.180064
  H      -2.597378      6.020142      5.523959
  H      -3.757785      5.217867      6.590481
  H      -5.094049      6.335103      5.036413
  H      -5.127993      4.649073      4.500033
  H      -3.081263      5.335288      2.967517
  H      -3.765364      6.979761      3.105475
  H      -5.833374      7.775266      3.464804
  H      -8.095355      8.691410      3.108280
  H     -10.217266      6.063535     -0.017032
  H      -9.514964      4.039013     -1.353316
  H      -7.236850      3.077813     -0.978877
  H      -6.875922      1.561549      7.312569
  H      -6.615041      1.673255      5.560500
  H      -6.316912      4.267076      6.032469
  H      -7.228571      3.947259      7.508338
  H      -8.688277      4.702076      5.674068
  H      -9.133249      3.039210      6.167692
  H     -10.552736      4.368255      4.604625
  H     -12.348340      4.101826      2.940403
  H     -10.902160      1.158879     -0.250923
  H      -8.737476     -0.102170     -0.638496
  H      -6.832590      0.297236      0.919505
  N      -4.715020      2.353333      3.767234
  N      -5.277553      2.592837      2.526990
  H      -6.289938      2.207067      2.471887
  H      -4.693717      2.203885      1.702067
  H      -5.329393      3.615419      2.324589
103
Coordinates from ORCA-job orca E -6485.324925548631
  N      -2.933405      0.340974      5.047956
  Mo     -3.675637      2.174257      5.236491
  N      -4.959306      2.198483      6.707916
  C      -4.489151      2.342225      8.087300
  C      -3.176387      1.585115      8.234625
  N      -2.281313      1.939734      7.104160
  C      -1.311019      0.864525      6.782670
  C      -2.012389     -0.236625      6.020529
  C      -1.571632      3.227159      7.312305
  C      -1.368761      3.844606      5.930908
  N      -2.664583      3.939162      5.266274
  H      -1.254214     -0.876051      5.531597
  H      -2.572679     -0.901827      6.709164
  H      -0.532354      1.309860      6.149506
  H      -0.827254      0.483728      7.698965
  H      -0.891708      4.836266      6.018404
  H      -0.687321      3.216843      5.334113
  H      -2.214460      3.883885      7.914376
  H      -0.630678      3.066123      7.867061
  H      -5.229581      1.924172      8.791096
  H      -4.359754      3.407205      8.359927
  H      -3.381147      0.507722      8.170163
  H      -2.686415      1.788046      9.202605
  C      -3.585072     -0.711154      4.256889
  C      -2.732281     -1.184146      3.068178
  C      -2.888366     -0.310639      1.840775
  O      -4.247228     -0.527480      1.342355
  C      -4.466979     -0.309302      0.016420
  C      -4.959908     -1.343402     -0.763075
  C      -5.223478     -1.115538     -2.129077
  N      -5.016580      0.035872     -2.754076
  C      -4.552449      1.071140     -1.998606
  C      -4.334344      2.331566     -2.609278
  C      -3.925948      3.398252     -1.834694
  C      -3.766208      3.216203     -0.447908
  N      -3.935510      2.047368      0.166524
  C      -4.290437      0.968223     -0.593017
  C      -3.339267      5.209779      5.554159
  C      -4.477337      5.541081      4.593258
  C      -3.981381      5.896358      3.199313
  O      -4.923260      5.503755      2.165572
  C      -6.109226      6.152561      2.062477
  C      -6.475081      7.299988      2.743071
  C      -7.763103      7.840715      2.522569
  N      -8.672721      7.342149      1.701459
  C      -8.315476      6.222109      1.005818
  C      -9.230163      5.649000      0.088422
  C      -8.859815      4.528531     -0.623347
  C      -7.581573      3.968160     -0.403454
  N      -6.701155      4.456023      0.458204
  C      -7.047991      5.575999      1.146349
  C      -6.410123      2.168664      6.522979
  C      -7.041420      3.573179      6.488758
  C      -8.349900      3.642202      5.725263
  O      -8.112629      3.148606      4.382242
  C      -9.175591      3.066465      3.556421
  C     -10.396624      3.691827      3.761342
  C     -11.428234      3.520299      2.814168
  N     -11.350970      2.761802      1.732977
  C     -10.167201      2.115736      1.528918
  C     -10.046195      1.252448      0.412267
  C      -8.861850      0.581698      0.195961
  C      -7.788936      0.800801      1.081258
  N      -7.852678      1.607901      2.135235
  C      -9.028975      2.250294      2.386334
  H      -3.797720     -1.570315      4.919609
  H      -4.553872     -0.351913      3.887776
  H      -1.668560     -1.197218      3.354044
  H      -3.003570     -2.217112      2.799312
  H      -2.180737     -0.603094      1.050287
  H      -2.742347      0.754923      2.071203
  H      -5.123531     -2.325434     -0.317796
  H      -5.607374     -1.937143     -2.741546
  H      -4.511607      2.424375     -3.681696
  H      -3.755135      4.382207     -2.271782
  H      -3.519004      4.066268      0.192286
  H      -2.588141      6.021912      5.511889
  H      -3.749477      5.230505      6.584820
  H      -5.080007      6.352330      5.024317
  H      -5.131890      4.661398      4.504278
  H      -3.083580      5.311445      2.959427
  H      -3.744296      6.965726      3.088411
  H      -5.802585      7.795732      3.440776
  H      -8.048546      8.744952      3.069756
  H     -10.207674      6.118490     -0.031179
  H      -9.538079      4.064917     -1.340116
  H      -7.275467      3.073208     -0.953223
  H      -6.873417      1.564185      7.324080
  H      -6.615278      1.666663      5.570823
  H      -6.328442      4.261478      6.017044
  H      -7.224222      3.953726      7.505806
  H      -8.706238      4.683412      5.678784
  H      -9.136464      3.020372      6.185081
  H     -10.577542      4.319150      4.631957
  H     -12.376698      4.042531      2.973534
  H     -10.908847      1.142022     -0.246454
  H      -8.735402     -0.097513     -0.647536
  H      -6.831961      0.301014      0.914409
  N      -4.719288      2.357639      3.768236
  N      -5.289104      2.594820      2.530818
  H      -6.299862      2.204228      2.478443
  H      -4.704756      2.206808      1.706902
  H      -5.344319      3.617096      2.326798
103
Coordinates from ORCA-job orca E -6485.324948198085
  N      -2.942545      0.340352      5.050216
  Mo     -3.676862      2.176755      5.236972
  N      -4.959677      2.206889      6.708870
  C      -4.488428      2.353587      8.087562
  C      -3.178134      1.592136      8.235997
  N      -2.283039      1.940462      7.103528
  C      -1.317518      0.860280      6.783637
  C      -2.024529     -0.239494      6.024619
  C      -1.567693      3.225366      7.308840
  C      -1.362903      3.839042      5.925961
  N      -2.658752      3.938128      5.261798
  H      -1.269677     -0.884294      5.537668
  H      -2.588490     -0.899786      6.715001
  H      -0.537644      1.300783      6.148535
  H      -0.834535      0.479694      7.700418
  H      -0.881269      4.828678      6.011162
  H      -0.684584      3.206920      5.330150
  H      -2.207687      3.886166      7.909475
  H      -0.627336      3.061428      7.863749
  H      -5.229637      1.940298      8.793269
  H      -4.354884      3.419021      8.356396
  H      -3.386880      0.515312      8.175003
  H      -2.686261      1.796161      9.202782
  C      -3.598576     -0.709428      4.259594
  C      -2.747200     -1.188421      3.072284
  C      -2.895136     -0.313760      1.844451
  O      -4.253265     -0.522937      1.341041
  C      -4.465652     -0.301469      0.014107
  C      -4.954864     -1.332885     -0.771169
  C      -5.210831     -1.100493     -2.137971
  N      -5.000182      0.052858     -2.758036
  C      -4.540062      1.085658     -1.996730
  C      -4.318116      2.347894     -2.602310
  C      -3.913306      3.411900     -1.822015
  C      -3.761226      3.225120     -0.435057
  N      -3.934129      2.054429      0.174752
  C      -4.285878      0.978043     -0.590000
  C      -3.325763      5.213981      5.543736
  C      -4.462887      5.548020      4.582247
  C      -3.967695      5.888776      3.184436
  O      -4.917495      5.499529      2.156835
  C      -6.095366      6.162129      2.050490
  C      -6.443950      7.320584      2.721196
  C      -7.725115      7.876525      2.498667
  N      -8.643906      7.381629      1.685631
  C      -8.304699      6.248919      1.001579
  C      -9.231451      5.677173      0.095430
  C      -8.879591      4.543232     -0.604318
  C      -7.607543      3.969299     -0.384348
  N      -6.715718      4.455575      0.466578
  C      -7.045028      5.587957      1.143615
  C      -6.410537      2.170595      6.524372
  C      -7.048425      3.571825      6.483281
  C      -8.361633      3.628600      5.726714
  O      -8.126408      3.132634      4.384377
  C      -9.191120      3.039418      3.562437
  C     -10.419907      3.647459      3.773143
  C     -11.452252      3.464191      2.828807
  N     -11.367756      2.711380      1.744199
  C     -10.175770      2.082363      1.534224
  C     -10.045893      1.225388      0.413697
  C      -8.854170      0.569012      0.193406
  C      -7.783291      0.795798      1.079141
  N      -7.854955      1.598632      2.135910
  C      -9.037609      2.227901      2.389876
  H      -3.817072     -1.566573      4.923076
  H      -4.564779     -0.345009      3.888738
  H      -1.684000     -1.209395      3.359583
  H      -3.025654     -2.219348      2.802862
  H      -2.186127     -0.609352      1.056327
  H      -2.744786      0.751059      2.075986
  H      -5.121688     -2.316018     -0.329532
  H      -5.591975     -1.919851     -2.755140
  H      -4.489390      2.444166     -3.675396
  H      -3.739393      4.397176     -2.254886
  H      -3.517046      4.073063      0.209193
  H      -2.570039      6.021622      5.496985
  H      -3.734937      5.242224      6.574710
  H      -5.056961      6.368212      5.008304
  H      -5.125053      4.673411      4.501420
  H      -3.077001      5.292974      2.944928
  H      -3.719736      6.954984      3.066343
  H      -5.762839      7.813942      3.412279
  H      -7.996735      8.790134      3.037259
  H     -10.203068      6.158518     -0.025266
  H      -9.567852      4.079628     -1.311562
  H      -7.316511      3.063658     -0.924844
  H      -6.871330      1.568547      7.328705
  H      -6.614066      1.662866      5.574836
  H      -6.342488      4.259894      6.000794
  H      -7.226174      3.959434      7.498526
  H      -8.726438      4.666785      5.678109
  H      -9.141160      3.002424      6.192662
  H     -10.607221      4.269498      4.646217
  H     -12.408157      3.970883      2.994218
  H     -10.908054      1.107475     -0.244390
  H      -8.721202     -0.105045     -0.653281
  H      -6.821227      0.306402      0.910883
  N      -4.720467      2.362150      3.769614
  N      -5.295556      2.596511      2.534446
  H      -6.304223      2.199765      2.484099
  H      -4.710406      2.210455      1.710281
  H      -5.355718      3.618291      2.330096
103
Coordinates from ORCA-job orca E -6485.324968895959
  N      -2.947571      0.339758      5.050229
  Mo     -3.676999      2.177891      5.237219
  N      -4.959234      2.210807      6.709527
  C      -4.486334      2.359679      8.087427
  C      -3.177210      1.595824      8.236001
  N      -2.282611      1.940149      7.101680
  C      -1.320233      0.857055      6.781782
  C      -2.031129     -0.241705      6.025242
  C      -1.563227      3.223185      7.305140
  C      -1.358055      3.835251      5.921652
  N      -2.654212      3.936920      5.258462
  H      -1.278796     -0.890092      5.539193
  H      -2.597187     -0.898758      6.717045
  H      -0.540560      1.294894      6.144518
  H      -0.836457      0.476784      7.698248
  H      -0.874454      4.823963      6.006198
  H      -0.681307      3.201600      5.325632
  H      -2.200948      3.886386      7.905551
  H      -0.623002      3.056806      7.859526
  H      -5.227480      1.949450      8.794962
  H      -4.350051      3.425437      8.353495
  H      -3.388050      0.519254      8.177940
  H      -2.683751      1.801273      9.201673
  C      -3.607688     -0.708529      4.261227
  C      -2.757615     -1.192484      3.075357
  C      -2.899035     -0.316809      1.847452
  O      -4.256225     -0.521332      1.339837
  C      -4.461578     -0.299818      0.011633
  C      -4.940589     -1.332673     -0.777903
  C      -5.187612     -1.100175     -2.146342
  N      -4.978345      0.054950     -2.763483
  C      -4.528587      1.089261     -1.997844
  C      -4.308019      2.352892     -2.600898
  C      -3.912438      3.417731     -1.816890
  C      -3.768459      3.230048     -0.429245
  N      -3.940571      2.058133      0.178596
  C      -4.283317      0.981165     -0.589525
  C      -3.316518      5.215553      5.538710
  C      -4.456059      5.551298      4.580737
  C      -3.965815      5.885246      3.179620
  O      -4.922549      5.497588      2.157988
  C      -6.096824      6.166469      2.052178
  C      -6.437710      7.328757      2.720027
  C      -7.715666      7.891884      2.496532
  N      -8.637998      7.399882      1.685760
  C      -8.306705      6.262323      1.005851
  C      -9.237775      5.692385      0.103028
  C      -8.893009      4.553864     -0.592994
  C      -7.624227      3.973083     -0.371649
  N      -6.728762      4.457326      0.476597
  C      -7.051083      5.594511      1.148786
  C      -6.410139      2.172999      6.525370
  C      -7.049113      3.573421      6.478123
  C      -8.363429      3.625430      5.722910
  O      -8.128290      3.126640      4.381627
  C      -9.193014      3.031256      3.560045
  C     -10.422217      3.639033      3.768962
  C     -11.454503      3.452467      2.825081
  N     -11.369415      2.697806      1.741925
  C     -10.176727      2.069485      1.533292
  C     -10.045585      1.211563      0.413709
  C      -8.853617      0.554940      0.195188
  C      -7.783998      0.781870      1.082241
  N      -7.856731      1.586201      2.137897
  C      -9.039113      2.216843      2.389332
  H      -3.830153     -1.563598      4.926124
  H      -4.572239     -0.340844      3.889337
  H      -1.694923     -1.220064      3.363979
  H      -3.041734     -2.221745      2.805485
  H      -2.188640     -0.614419      1.061341
  H      -2.746042      0.747554      2.079810
  H      -5.105846     -2.316971     -0.338338
  H      -5.559491     -1.921064     -2.767237
  H      -4.472652      2.449354     -3.674990
  H      -3.739511      4.404203     -2.247401
  H      -3.532174      4.078556      0.217197
  H      -2.558566      6.020859      5.487617
  H      -3.722231      5.247790      6.570994
  H      -5.043827      6.376226      5.006426
  H      -5.122726      4.679493      4.506240
  H      -3.079170      5.284731      2.937139
  H      -3.713783      6.950054      3.057665
  H      -5.753018      7.819814      3.409220
  H      -7.981277      8.809019      3.032120
  H     -10.206528      6.179161     -0.018845
  H      -9.584867      4.091584     -1.297533
  H      -7.339454      3.063198     -0.908435
  H      -6.870537      1.574057      7.332223
  H      -6.613629      1.661300      5.577898
  H      -6.345082      4.259811      5.990186
  H      -7.225264      3.966473      7.491532
  H      -8.730561      4.662698      5.672057
  H      -9.141383      2.998841      6.190996
  H     -10.610605      4.263535      4.640069
  H     -12.411015      3.958195      2.990101
  H     -10.907112      1.093101     -0.245113
  H      -8.719860     -0.119472     -0.651097
  H      -6.822051      0.291370      0.916550
  N      -4.720670      2.365165      3.770568
  N      -5.302420      2.596799      2.538399
  H      -6.308522      2.193590      2.490720
  H      -4.717392      2.213613      1.711981
  H      -5.369365      3.618207      2.334913
103
Coordinates from ORCA-job orca E -6485.325000889032
  N      -2.953766      0.338777      5.050751
  Mo     -3.675379      2.179531      5.237090
  N      -4.959407      2.216256      6.707998
  C      -4.485240      2.369272      8.085025
  C      -3.178209      1.601897      8.236365
  N      -2.282669      1.939277      7.100310
  C      -1.325415      0.851093      6.781845
  C      -2.041655     -0.245747      6.027942
  C      -1.556474      3.218940      7.301741
  C      -1.349185      3.828568      5.917665
  N      -2.645113      3.934318      5.254786
  H      -1.292758     -0.899912      5.544351
  H      -2.612268     -0.897510      6.721054
  H      -0.545022      1.284370      6.142217
  H      -0.841614      0.470916      7.698299
  H      -0.862566      4.815820      6.001750
  H      -0.674409      3.192619      5.321872
  H      -2.190560      3.886183      7.901517
  H      -0.616963      3.048089      7.855902
  H      -5.227147      1.964509      8.794925
  H      -4.344831      3.435619      8.346389
  H      -3.391940      0.525653      8.183581
  H      -2.683974      1.810718      9.200879
  C      -3.619975     -0.706211      4.262849
  C      -2.772535     -1.196101      3.077918
  C      -2.905668     -0.318509      1.850291
  O      -4.262968     -0.512740      1.338982
  C      -4.457046     -0.294614      0.007884
  C      -4.916891     -1.331565     -0.787286
  C      -5.152939     -1.099799     -2.157880
  N      -4.950737      0.058716     -2.770883
  C      -4.518694      1.096703     -1.999712
  C      -4.304315      2.362821     -2.599459
  C      -3.922836      3.429528     -1.810715
  C      -3.787845      3.240899     -0.422422
  N      -3.956144      2.066854      0.182957
  C      -4.284926      0.988579     -0.589449
  C      -3.301223      5.216420      5.533371
  C      -4.444614      5.554431      4.581054
  C      -3.962388      5.881907      3.175429
  O      -4.927436      5.494463      2.161782
  C      -6.096160      6.172230      2.055822
  C      -6.424677      7.341280      2.717960
  C      -7.698459      7.914001      2.494890
  N      -8.627604      7.424388      1.690764
  C      -8.309025      6.279125      1.017595
  C      -9.248431      5.710468      0.122607
  C      -8.914901      4.565675     -0.568684
  C      -7.649797      3.976218     -0.348745
  N      -6.747440      4.458146      0.493513
  C      -7.058651      5.602258      1.159611
  C      -6.410120      2.177621      6.523641
  C      -7.049905      3.577184      6.467665
  C      -8.364298      3.623053      5.712113
  O      -8.128073      3.119767      4.372596
  C      -9.192224      3.022452      3.550315
  C     -10.420653      3.633507      3.753003
  C     -11.452132      3.441704      2.808810
  N     -11.366734      2.680190      1.730605
  C     -10.174174      2.049384      1.527655
  C     -10.041796      1.184711      0.413645
  C      -8.850309      0.524848      0.201589
  C      -7.782574      0.754727      1.089937
  N      -7.856834      1.565520      2.140583
  C      -9.038103      2.200388      2.384918
  H      -3.847908     -1.559346      4.928483
  H      -4.582318     -0.333469      3.890401
  H      -1.710486     -1.233416      3.367775
  H      -3.065098     -2.222702      2.806906
  H      -2.195480     -0.620800      1.065780
  H      -2.746364      0.744984      2.083247
  H      -5.076327     -2.317955     -0.350439
  H      -5.509438     -1.923736     -2.783806
  H      -4.460883      2.459015     -3.674748
  H      -3.752732      4.417931     -2.237898
  H      -3.562580      4.090354      0.226640
  H      -2.540390      6.018610      5.476133
  H      -3.701752      5.253616      6.567569
  H      -5.024826      6.383847      5.008274
  H      -5.116026      4.685607      4.513659
  H      -3.079609      5.277546      2.928906
  H      -3.708325      6.945681      3.048870
  H      -5.733364      7.830326      3.401897
  H      -7.954576      8.836988      3.025003
  H     -10.214001      6.203708      0.001615
  H      -9.612978      4.104644     -1.267863
  H      -7.374159      3.060843     -0.881011
  H      -6.870326      1.583317      7.334017
  H      -6.613848      1.660135      5.579258
  H      -6.346972      4.261507      5.974984
  H      -7.226498      3.976992      7.478332
  H      -8.733966      4.659216      5.658119
  H      -9.140923      2.996155      6.182031
  H     -10.610665      4.264151      4.619340
  H     -12.408842      3.948173      2.970636
  H     -10.902310      1.063553     -0.246017
  H      -8.716067     -0.154919     -0.640248
  H      -6.821510      0.260353      0.930753
  N      -4.718285      2.369988      3.770996
  N      -5.311024      2.596190      2.543750
  H      -6.312549      2.182717      2.500292
  H      -4.727270      2.218077      1.711662
  H      -5.390356      3.616707      2.342414
103
Coordinates from ORCA-job orca E -6485.324952093863
  N      -2.979002      0.336762      5.048897
  Mo     -3.683904      2.183896      5.231935
  N      -4.965813      2.234079      6.704532
  C      -4.487952      2.390975      8.079794
  C      -3.187481      1.612847      8.232876
  N      -2.290790      1.936892      7.093698
  C      -1.345043      0.837741      6.777753
  C      -2.072842     -0.254370      6.027618
  C      -1.551096      3.209651      7.289719
  C      -1.340828      3.812394      5.903327
  N      -2.637427      3.929397      5.243771
  H      -1.330596     -0.917249      5.545665
  H      -2.649740     -0.898326      6.722810
  H      -0.561108      1.261237      6.135918
  H      -0.864001      0.455602      7.694834
  H      -0.843733      4.794804      5.982886
  H      -0.674334      3.167398      5.307958
  H      -2.176992      3.885241      7.888745
  H      -0.612200      3.030803      7.842408
  H      -5.231927      1.996689      8.793417
  H      -4.337493      3.457458      8.334865
  H      -3.410732      0.538274      8.185689
  H      -2.689789      1.822115      9.195484
  C      -3.652610     -0.701743      4.258669
  C      -2.807098     -1.197597      3.074728
  C      -2.925733     -0.314841      1.849114
  O      -4.283025     -0.490296      1.330591
  C      -4.464467     -0.265474     -0.001720
  C      -4.918735     -1.296500     -0.807514
  C      -5.142054     -1.055382     -2.178790
  N      -4.930880      0.106344     -2.782543
  C      -4.502118      1.138103     -2.001274
  C      -4.275654      2.406521     -2.591597
  C      -3.894583      3.466211     -1.793137
  C      -3.772577      3.268614     -0.404980
  N      -3.953613      2.092059      0.191999
  C      -4.282311      1.020494     -0.589576
  C      -3.279246      5.218892      5.520671
  C      -4.423795      5.564039      4.572560
  C      -3.945052      5.877188      3.162499
  O      -4.920783      5.494229      2.157829
  C      -6.081743      6.185296      2.055656
  C      -6.390240      7.364022      2.710297
  C      -7.658729      7.950395      2.492898
  N      -8.600833      7.464945      1.701507
  C      -8.302433      6.309623      1.036336
  C      -9.257196      5.744143      0.155592
  C      -8.944680      4.588386     -0.526962
  C      -7.684627      3.985900     -0.313631
  N      -6.768244      4.464386      0.515442
  C      -7.059129      5.618672      1.173604
  C      -6.416609      2.197182      6.522826
  C      -7.054229      3.596679      6.449135
  C      -8.368408      3.631126      5.693201
  O      -8.129530      3.102560      4.363970
  C      -9.190215      2.989435      3.539472
  C     -10.419105      3.605371      3.722578
  C     -11.445808      3.392997      2.777304
  N     -11.355430      2.607107      1.717025
  C     -10.162523      1.970383      1.535019
  C     -10.025351      1.077756      0.443852
  C      -8.833929      0.410337      0.255756
  C      -7.770426      0.661085      1.143710
  N      -7.849277      1.498597      2.172749
  C      -9.030968      2.140709      2.394345
  H      -3.889788     -1.553659      4.922657
  H      -4.610691     -0.319899      3.884443
  H      -1.746514     -1.248144      3.367887
  H      -3.110736     -2.219882      2.799540
  H      -2.215617     -0.623002      1.066812
  H      -2.755259      0.746121      2.086014
  H      -5.084393     -2.285193     -0.378377
  H      -5.496077     -1.873932     -2.813077
  H      -4.421878      2.509792     -3.667682
  H      -3.713929      4.455966     -2.212803
  H      -3.546484      4.112511      0.250983
  H      -2.510705      6.013165      5.455908
  H      -3.673808      5.264693      6.556846
  H      -4.992730      6.402256      4.997787
  H      -5.105012      4.702489      4.513184
  H      -3.070759      5.260874      2.915208
  H      -3.679525      6.937128      3.027710
  H      -5.687107      7.850446      3.384035
  H      -7.898915      8.881301      3.016578
  H     -10.217859      6.247976      0.038988
  H      -9.654893      4.129110     -1.215091
  H      -7.424966      3.062577     -0.840097
  H      -6.877343      1.613632      7.340703
  H      -6.622597      1.668493      5.585106
  H      -6.351218      4.272945      5.945849
  H      -7.229562      4.011281      7.454050
  H      -8.737501      4.666318      5.620451
  H      -9.145450      3.012660      6.173480
  H     -10.613363      4.254940      4.573839
  H     -12.402935      3.903691      2.922464
  H     -10.882628      0.940596     -0.216893
  H      -8.696968     -0.292235     -0.566679
  H      -6.809509      0.160915      1.003022
  N      -4.726313      2.380893      3.766653
  N      -5.326222      2.604582      2.542588
  H      -6.325817      2.186269      2.502345
  H      -4.744285      2.229890      1.706926
  H      -5.411672      3.624641      2.341925
103
Coordinates from ORCA-job orca E -6485.324929272506
  N      -2.993913      0.335833      5.047031
  Mo     -3.687284      2.187276      5.225267
  N      -4.971121      2.247439      6.696312
  C      -4.492801      2.407912      8.071033
  C      -3.197425      1.622484      8.228510
  N      -2.297674      1.937401      7.088845
  C      -1.359283      0.830523      6.776800
  C      -2.093366     -0.259070      6.028478
  C      -1.548505      3.204888      7.281934
  C      -1.333472      3.801039      5.893967
  N      -2.629597      3.926708      5.235585
  H      -1.354490     -0.927416      5.548965
  H      -2.675199     -0.897678      6.724455
  H      -0.572127      1.247392      6.134640
  H      -0.881667      0.447663      7.695343
  H      -0.828091      4.779499      5.970050
  H      -0.672930      3.148231      5.300536
  H      -2.169439      3.886795      7.878927
  H      -0.611211      3.020156      7.835452
  H      -5.239672      2.022704      8.786586
  H      -4.334469      3.474507      8.320434
  H      -3.426994      0.549069      8.184957
  H      -2.699199      1.832497      9.190640
  C      -3.671142     -0.698464      4.254281
  C      -2.824340     -1.199275      3.073251
  C      -2.929241     -0.314812      1.847406
  O      -4.283492     -0.480237      1.316699
  C      -4.446865     -0.255348     -0.018671
  C      -4.879907     -1.287844     -0.833925
  C      -5.083488     -1.044829     -2.208131
  N      -4.869234      0.119341     -2.805847
  C      -4.458388      1.151729     -2.015943
  C      -4.225316      2.421488     -2.600633
  C      -3.858675      3.480464     -1.794482
  C      -3.758363      3.280995     -0.404991
  N      -3.948060      2.103344      0.187416
  C      -4.262307      1.032553     -0.600964
  C      -3.260038      5.221613      5.511610
  C      -4.410526      5.566754      4.571448
  C      -3.939950      5.859895      3.154539
  O      -4.927867      5.472070      2.164571
  C      -6.086261      6.167768      2.068930
  C      -6.379946      7.358474      2.708587
  C      -7.648510      7.947443      2.498912
  N      -8.604113      7.453182      1.729433
  C      -8.320850      6.284884      1.080511
  C      -9.291455      5.707891      0.224660
  C      -8.995039      4.537660     -0.439884
  C      -7.733719      3.934449     -0.235997
  N      -6.802846      4.423178      0.570638
  C      -7.078871      5.590313      1.212260
  C      -6.421563      2.216963      6.513791
  C      -7.052846      3.618579      6.430858
  C      -8.369361      3.650828      5.679539
  O      -8.134039      3.111605      4.354111
  C      -9.194351      3.000941      3.529247
  C     -10.420279      3.623464      3.707855
  C     -11.446197      3.411629      2.761240
  N     -11.357216      2.620962      1.704264
  C     -10.167228      1.977005      1.527832
  C     -10.031678      1.076906      0.442557
  C      -8.843335      0.401536      0.262832
  C      -7.780017      0.653478      1.151049
  N      -7.857280      1.498881      2.173588
  C      -9.037077      2.146146      2.388799
  H      -3.916260     -1.548993      4.917186
  H      -4.625461     -0.310690      3.876499
  H      -1.765648     -1.259004      3.371455
  H      -3.135024     -2.218717      2.795338
  H      -2.214838     -0.626814      1.070579
  H      -2.754354      0.745042      2.086378
  H      -5.044852     -2.278797     -0.409901
  H      -5.423434     -1.863592     -2.849724
  H      -4.353966      2.525962     -3.678826
  H      -3.671894      4.470973     -2.209659
  H      -3.542085      4.123737      0.255659
  H      -2.487066      6.010560      5.434674
  H      -3.644305      5.276765      6.551216
  H      -4.969572      6.413800      4.992460
  H      -5.099363      4.710629      4.526053
  H      -3.072729      5.233372      2.907758
  H      -3.667096      6.915853      3.004790
  H      -5.665189      7.852360      3.364548
  H      -7.876710      8.888542      3.009548
  H     -10.251710      6.213891      0.113700
  H      -9.717662      4.068649     -1.108355
  H      -7.485309      3.001546     -0.750686
  H      -6.885677      1.640764      7.335021
  H      -6.630006      1.683286      5.579357
  H      -6.349099      4.287475      5.918912
  H      -7.222273      4.042865      7.432747
  H      -8.736704      4.686147      5.600091
  H      -9.146033      3.037207      6.166562
  H     -10.612926      4.276961      4.556471
  H     -12.400877      3.928192      2.901451
  H     -10.888145      0.938792     -0.219025
  H      -8.709117     -0.309432     -0.552753
  H      -6.821372      0.147550      1.016697
  N      -4.723124      2.389903      3.756402
  N      -5.332243      2.605246      2.535950
  H      -6.317079      2.155026      2.491828
  H      -4.738853      2.256517      1.696187
  H      -5.450586      3.623441      2.342503
103
Coordinates from ORCA-job orca E -6485.324986943820
  N      -2.964354      0.337083      5.057835
  Mo     -3.673549      2.182233      5.239089
  N      -4.964362      2.229177      6.704599
  C      -4.492077      2.387703      8.081737
  C      -3.190054      1.613145      8.241323
  N      -2.288279      1.939137      7.106197
  C      -1.339248      0.841537      6.793604
  C      -2.061230     -0.252269      6.040084
  C      -1.551037      3.212700      7.305073
  C      -1.334646      3.813611      5.919212
  N      -2.628059      3.928817      5.253473
  H      -1.315392     -0.913219      5.561021
  H      -2.639465     -0.897535      6.732942
  H      -0.554010      1.267168      6.154774
  H      -0.860608      0.460329      7.712295
  H      -0.838736      4.796558      5.999618
  H      -0.665014      3.168245      5.327891
  H      -2.180542      3.887949      7.900655
  H      -0.614745      3.034864      7.862516
  H      -5.238130      1.992741      8.792857
  H      -4.344453      3.454574      8.336462
  H      -3.409866      0.537856      8.193773
  H      -2.697654      1.824662      9.206132
  C      -3.633708     -0.702510      4.265361
  C      -2.789503     -1.187094      3.075997
  C      -2.921275     -0.303745      1.851989
  O      -4.279894     -0.489635      1.339260
  C      -4.464423     -0.280798      0.004035
  C      -4.899166     -1.327202     -0.792349
  C      -5.126394     -1.103006     -2.165878
  N      -4.937382      0.057099     -2.779769
  C      -4.527842      1.103849     -2.007945
  C      -4.324393      2.370529     -2.610066
  C      -3.960350      3.443754     -1.821642
  C      -3.832662      3.260911     -0.432246
  N      -3.994112      2.086976      0.175989
  C      -4.305308      1.002770     -0.595357
  C      -3.271002      5.218645      5.527192
  C      -4.416113      5.562900      4.579655
  C      -3.938422      5.878667      3.169440
  O      -4.915433      5.497667      2.164985
  C      -6.076731      6.188338      2.063353
  C      -6.384821      7.370981      2.711268
  C      -7.653774      7.955506      2.491377
  N      -8.596173      7.465007      1.703378
  C      -8.297323      6.306281      1.044316
  C      -9.251534      5.735356      0.166575
  C      -8.937851      4.576864     -0.510704
  C      -7.677893      3.975019     -0.292739
  N      -6.763025      4.458080      0.535255
  C      -7.054275      5.616439      1.185827
  C      -6.414279      2.186937      6.516339
  C      -7.060704      3.583061      6.449234
  C      -8.375133      3.615717      5.692295
  O      -8.134741      3.109195      4.354477
  C      -9.198104      2.998623      3.532600
  C     -10.431664      3.599933      3.730625
  C     -11.460583      3.392358      2.786459
  N     -11.367857      2.623322      1.714077
  C     -10.169179      2.002270      1.515904
  C     -10.025649      1.131998      0.407497
  C      -8.824778      0.487650      0.198786
  C      -7.758490      0.739986      1.082989
  N      -7.844219      1.556297      2.128265
  C      -9.035056      2.172656      2.371492
  H      -3.862437     -1.558808      4.926655
  H      -4.596156     -0.326609      3.896460
  H      -1.727238     -1.229566      3.364339
  H      -3.085752     -2.211307      2.799851
  H      -2.212626     -0.606179      1.066240
  H      -2.758343      0.758590      2.088294
  H      -5.046909     -2.314880     -0.354620
  H      -5.464149     -1.934093     -2.792981
  H      -4.473775      2.461305     -3.686802
  H      -3.796267      4.432638     -2.249991
  H      -3.619401      4.114227      0.215652
  H      -2.502486      6.012866      5.460662
  H      -3.664484      5.266792      6.563671
  H      -4.986345      6.399422      5.006207
  H      -5.096748      4.700862      4.518812
  H      -3.064480      5.262554      2.920781
  H      -3.673090      6.938641      3.035951
  H      -5.681121      7.861638      3.381233
  H      -7.893843      8.889651      3.009302
  H     -10.212545      6.237791      0.047099
  H      -9.647402      4.114017     -1.196929
  H      -7.416630      3.049404     -0.814536
  H      -6.874425      1.596420      7.329579
  H      -6.614816      1.661871      5.575401
  H      -6.360664      4.268328      5.953657
  H      -7.241005      3.988951      7.456823
  H      -8.753504      4.648527      5.634785
  H      -9.146709      2.983948      6.164002
  H     -10.628088      4.234059      4.593028
  H     -12.421009      3.893408      2.942552
  H     -10.884810      0.994387     -0.250709
  H      -8.682054     -0.197579     -0.637171
  H      -6.789653      0.261077      0.924989
  N      -4.705784      2.379464      3.767481
  N      -5.310351      2.592705      2.545884
  H      -6.303299      2.162665      2.510445
  H      -4.725798      2.222035      1.708188
  H      -5.408922      3.610531      2.342044
103
Coordinates from ORCA-job orca E -6485.325034043946
  N      -2.980804      0.329363      5.055329
  Mo     -3.684135      2.177573      5.230088
  N      -4.968462      2.235945      6.701072
  C      -4.490718      2.400393      8.075542
  C      -3.192045      1.620546      8.234392
  N      -2.293243      1.937285      7.094620
  C      -1.350008      0.833854      6.785688
  C      -2.079060     -0.259901      6.039044
  C      -1.550440      3.209044      7.284910
  C      -1.337098      3.802659      5.895165
  N      -2.632779      3.920958      5.233995
  H      -1.336966     -0.926242      5.561575
  H      -2.658948     -0.899450      6.735772
  H      -0.563678      1.252278      6.143509
  H      -0.871887      0.454663      7.705508
  H      -0.835726      4.783412      5.968360
  H      -0.673325      3.150808      5.304340
  H      -2.175270      3.889432      7.879577
  H      -0.612779      3.030523      7.839880
  H      -5.235933      2.012946      8.791602
  H      -4.337193      3.468064      8.323588
  H      -3.417104      0.546110      8.192269
  H      -2.695088      1.833997      9.196440
  C      -3.646926     -0.710144      4.259982
  C      -2.792307     -1.203167      3.081196
  C      -2.904660     -0.322201      1.853895
  O      -4.257932     -0.501343      1.325745
  C      -4.428438     -0.277737     -0.008933
  C      -4.861216     -1.312414     -0.821543
  C      -5.080051     -1.069006     -2.193290
  N      -4.885517      0.099051     -2.790280
  C      -4.477798      1.134218     -2.002174
  C      -4.270779      2.409389     -2.584901
  C      -3.909646      3.470905     -1.779312
  C      -3.787284      3.267743     -0.392174
  N      -3.951890      2.085108      0.197935
  C      -4.262059      1.012931     -0.590197
  C      -3.268992      5.214794      5.504536
  C      -4.415317      5.561278      4.558679
  C      -3.941053      5.868467      3.145303
  O      -4.926164      5.494268      2.146006
  C      -6.080764      6.196559      2.048342
  C      -6.370479      7.386241      2.691788
  C      -7.635009      7.983011      2.479871
  N      -8.590210      7.497770      1.703993
  C      -8.310364      6.331676      1.049702
  C      -9.280108      5.765083      0.186096
  C      -8.986553      4.598327     -0.485949
  C      -7.731002      3.984732     -0.277400
  N      -6.801291      4.463992      0.536285
  C      -7.072746      5.629892      1.182707
  C      -6.419148      2.195800      6.519283
  C      -7.062076      3.593177      6.446112
  C      -8.379699      3.623201      5.695126
  O      -8.144451      3.099407      4.363372
  C      -9.207043      2.987571      3.541085
  C     -10.435259      3.603851      3.726605
  C     -11.461542      3.396208      2.779656
  N     -11.371553      2.613798      1.716660
  C     -10.179078      1.976817      1.532310
  C     -10.040036      1.090395      0.436162
  C      -8.846750      0.427154      0.244183
  C      -7.783703      0.674695      1.133729
  N      -7.864814      1.505998      2.167415
  C      -9.047935      2.143882      2.392508
  H      -3.885311     -1.563363      4.921752
  H      -4.604108     -0.331224      3.880440
  H      -1.733557     -1.250459      3.381510
  H      -3.091288     -2.226446      2.804409
  H      -2.188167     -0.629550      1.077181
  H      -2.739176      0.739652      2.090675
  H      -5.015493     -2.305140     -0.397493
  H      -5.417985     -1.890033     -2.833159
  H      -4.415423      2.516046     -3.660851
  H      -3.743197      4.465708     -2.192896
  H      -3.575250      4.111027      0.269209
  H      -2.496867      6.005041      5.432359
  H      -3.658761      5.268972      6.542182
  H      -4.979678      6.402752      4.983294
  H      -5.100629      4.702774      4.503324
  H      -3.074119      5.243174      2.895030
  H      -3.665638      6.925525      3.007646
  H      -5.655533      7.873308      3.352518
  H      -7.860432      8.922475      2.994748
  H     -10.236810      6.277271      0.073365
  H      -9.708459      4.138034     -1.161058
  H      -7.485736      3.052427     -0.795053
  H      -6.877667      1.611620      7.337991
  H      -6.624765      1.665417      5.582373
  H      -6.362769      4.272106      5.941113
  H      -7.235483      4.007309      7.451555
  H      -8.754072      4.656759      5.626486
  H      -9.151787      2.999875      6.177125
  H     -10.628505      4.250610      4.580274
  H     -12.417717      3.908532      2.925175
  H     -10.896543      0.955571     -0.226092
  H      -8.707852     -0.270770     -0.581927
  H      -6.821296      0.178943      0.990068
  N      -4.720849      2.373140      3.761657
  N      -5.330946      2.583723      2.541586
  H      -6.325856      2.154803      2.511274
  H      -4.750671      2.212081      1.701138
  H      -5.429117      3.601134      2.335775
103
Coordinates from ORCA-job orca E -6485.324960432413
  N      -2.986404      0.345193      5.050730
  Mo     -3.684330      2.194948      5.233274
  N      -4.972674      2.247767      6.700813
  C      -4.499990      2.404408      8.077809
  C      -3.205012      1.618564      8.236915
  N      -2.300781      1.938911      7.102487
  C      -1.359711      0.834507      6.790656
  C      -2.089012     -0.252112      6.033804
  C      -1.554634      3.206981      7.303392
  C      -1.334549      3.807621      5.917906
  N      -2.628035      3.935594      5.254480
  H      -1.346782     -0.916902      5.554454
  H      -2.672632     -0.894854      6.724378
  H      -0.568862      1.254438      6.155175
  H      -0.887623      0.447633      7.710411
  H      -0.828312      4.785375      5.997446
  H      -0.672709      3.155219      5.325510
  H      -2.179381      3.885712      7.900025
  H      -0.619510      3.022186      7.860619
  H      -5.249274      2.016174      8.789145
  H      -4.343425      3.470325      8.331425
  H      -3.434289      0.545362      8.186645
  H      -2.710667      1.823548      9.202147
  C      -3.654765     -0.691090      4.252582
  C      -2.802978     -1.182540      3.070671
  C      -2.928449     -0.309026      1.839292
  O      -4.281887     -0.505531      1.317394
  C      -4.460609     -0.293584     -0.018117
  C      -4.883727     -1.339504     -0.821413
  C      -5.111342     -1.108688     -2.194027
  N      -4.931364      0.056576     -2.800991
  C      -4.531283      1.101844     -2.022698
  C      -4.339114      2.374620     -2.615898
  C      -3.986091      3.446006     -1.819878
  C      -3.856794      3.254856     -0.431726
  N      -4.007538      2.075230      0.167796
  C      -4.309902      0.993967     -0.610553
  C      -3.259637      5.229728      5.531803
  C      -4.403213      5.580864      4.585019
  C      -3.922697      5.882835      3.173117
  O      -4.907781      5.512825      2.173237
  C      -6.059599      6.219393      2.077795
  C      -6.342814      7.411700      2.719218
  C      -7.605418      8.013107      2.509106
  N      -8.565047      7.529823      1.737238
  C      -8.292121      6.360400      1.086065
  C      -9.267373      5.794275      0.228147
  C      -8.981928      4.622237     -0.438063
  C      -7.727660      4.005367     -0.232426
  N      -6.792318      4.484889      0.574643
  C      -7.056557      5.654170      1.217489
  C      -6.421957      2.204465      6.512678
  C      -7.065850      3.600264      6.428103
  C      -8.378218      3.620846      5.668895
  O      -8.130152      3.082027      4.345634
  C      -9.183338      2.961697      3.513203
  C     -10.414739      3.576507      3.682253
  C     -11.430124      3.361323      2.725540
  N     -11.326415      2.573693      1.667651
  C     -10.131342      1.937103      1.500412
  C      -9.979617      1.043831      0.411602
  C      -8.784745      0.378711      0.238497
  C      -7.732194      0.630507      1.139726
  N      -7.825016      1.468416      2.167238
  C      -9.010420      2.109286      2.373026
  H      -3.892114     -1.545942      4.912597
  H      -4.612633     -0.310736      3.876093
  H      -1.742356     -1.221217      3.365594
  H      -3.096393     -2.208939      2.799548
  H      -2.211953     -0.613713      1.061486
  H      -2.772610      0.755681      2.069689
  H      -5.023036     -2.331236     -0.389595
  H      -5.444003     -1.937747     -2.825979
  H      -4.488439      2.471671     -3.692139
  H      -3.831791      4.439214     -2.241903
  H      -3.650234      4.105036      0.222568
  H      -2.485145      6.017985      5.462911
  H      -3.649951      5.281079      6.569405
  H      -4.965568      6.425266      5.006893
  H      -5.092002      4.725335      4.528595
  H      -3.059538      5.250814      2.926074
  H      -3.638890      6.937601      3.034190
  H      -5.624081      7.897570      3.376938
  H      -7.825392      8.954825      3.022206
  H     -10.222278      6.310220      0.116767
  H      -9.708572      4.161102     -1.107662
  H      -7.488397      3.069757     -0.746662
  H      -6.884715      1.623010      7.330994
  H      -6.621334      1.669979      5.576705
  H      -6.365039      4.276119      5.921137
  H      -7.244706      4.021169      7.429785
  H      -8.753714      4.652898      5.585502
  H      -9.152452      3.001363      6.152367
  H     -10.617836      4.227207      4.530596
  H     -12.389091      3.872125      2.857439
  H     -10.828101      0.904675     -0.260002
  H      -8.637212     -0.324631     -0.581381
  H      -6.768455      0.132582      1.011159
  N      -4.713510      2.404363      3.761199
  N      -5.321532      2.621640      2.540568
  H      -6.312292      2.182514      2.500963
  H      -4.731794      2.265820      1.701133
  H      -5.429959      3.639988      2.342380
103
Coordinates from ORCA-job orca E -6485.324985284507
  N      -2.999266      0.334605      5.057774
  Mo     -3.688819      2.187296      5.233083
  N      -4.974708      2.254067      6.702325
  C      -4.498395      2.419468      8.076991
  C      -3.206794      1.628616      8.239075
  N      -2.303084      1.937132      7.100448
  C      -1.368270      0.825501      6.792921
  C      -2.103045     -0.262253      6.042088
  C      -1.549511      3.202054      7.292056
  C      -1.329077      3.792330      5.902747
  N      -2.623279      3.923094      5.241933
  H      -1.363957     -0.931652      5.564413
  H      -2.688077     -0.899824      6.736254
  H      -0.576707      1.238723      6.153959
  H      -0.896378      0.441602      7.713981
  H      -0.817535      4.767834      5.975093
  H      -0.672026      3.132524      5.313192
  H      -2.169545      3.887701      7.885657
  H      -0.614482      3.015218      7.848754
  H      -5.248033      2.041146      8.793277
  H      -4.335093      3.486470      8.321067
  H      -3.441222      0.556178      8.196815
  H      -2.709289      1.838052      9.201724
  C      -3.669107     -0.697595      4.256491
  C      -2.818475     -1.181600      3.071484
  C      -2.931244     -0.289261      1.851998
  O      -4.284853     -0.463584      1.322394
  C      -4.453325     -0.242204     -0.012991
  C      -4.866967     -1.284982     -0.825113
  C      -5.074432     -1.050488     -2.200117
  N      -4.882450      0.115487     -2.801459
  C      -4.490657      1.157951     -2.015216
  C      -4.282421      2.429631     -2.604989
  C      -3.933673      3.498287     -1.803848
  C      -3.824786      3.305537     -0.414316
  N      -3.992502      2.126899      0.183263
  C      -4.290452      1.047161     -0.599851
  C      -3.245201      5.223194      5.511020
  C      -4.393181      5.568431      4.568752
  C      -3.916656      5.840450      3.150102
  O      -4.911925      5.464716      2.163496
  C      -6.057467      6.180604      2.064585
  C      -6.326807      7.386209      2.686691
  C      -7.584060      7.996499      2.469313
  N      -8.550468      7.509408      1.708210
  C      -8.291057      6.325504      1.078028
  C      -9.273894      5.752326      0.233597
  C      -9.001568      4.564332     -0.409586
  C      -7.752371      3.939636     -0.195035
  N      -6.810871      4.425878      0.600482
  C      -7.062626      5.609666      1.219617
  C      -6.424045      2.216220      6.515583
  C      -7.060709      3.614161      6.417580
  C      -8.377152      3.632037      5.665554
  O      -8.137784      3.085325      4.343971
  C      -9.197324      2.962564      3.520353
  C     -10.428602      3.573985      3.701199
  C     -11.453332      3.353977      2.755621
  N     -11.357814      2.566424      1.697038
  C     -10.162246      1.934071      1.517555
  C     -10.017422      1.043815      0.425371
  C      -8.821181      0.384891      0.238647
  C      -7.760000      0.640742      1.128687
  N      -7.846239      1.476726      2.158561
  C      -9.033102      2.110148      2.378623
  H      -3.908856     -1.555092      4.912268
  H      -4.625943     -0.313220      3.881434
  H      -1.759194     -1.234514      3.369026
  H      -3.120446     -2.201518      2.785853
  H      -2.215206     -0.590331      1.072413
  H      -2.765149      0.770526      2.097697
  H      -5.011466     -2.278225     -0.398588
  H      -5.396783     -1.878285     -2.839236
  H      -4.415766      2.527917     -3.683185
  H      -3.768082      4.490787     -2.223200
  H      -3.622327      4.154438      0.242828
  H      -2.467061      6.006459      5.427294
  H      -3.627100      5.288727      6.550958
  H      -4.945136      6.425545      4.979061
  H      -5.090507      4.718519      4.531804
  H      -3.062485      5.194091      2.909036
  H      -3.621164      6.889058      2.991671
  H      -5.601399      7.875859      3.334295
  H      -7.792815      8.949676      2.965639
  H     -10.223926      6.275489      0.114400
  H      -9.734894      4.096936     -1.067288
  H      -7.523555      2.991761     -0.691101
  H      -6.889171      1.644934      7.339748
  H      -6.627268      1.674127      5.584771
  H      -6.359712      4.281000      5.898209
  H      -7.231596      4.047909      7.415153
  H      -8.751676      4.664139      5.577926
  H      -9.149802      3.016893      6.157056
  H     -10.624965      4.224471      4.551340
  H     -12.412163      3.862478      2.896740
  H     -10.871990      0.901796     -0.237827
  H      -8.679155     -0.315829     -0.584359
  H      -6.795031      0.147760      0.989638
  N      -4.715779      2.394892      3.759248
  N      -5.338587      2.595911      2.543814
  H      -6.327834      2.154985      2.521914
  H      -4.758091      2.224307      1.703913
  H      -5.450727      3.611034      2.329757
103
Coordinates from ORCA-job orca E -6485.324867875545
  N      -2.983803      0.324959      5.056514
  Mo     -3.680161      2.175654      5.222572
  N      -4.976836      2.244038      6.683562
  C      -4.506201      2.413628      8.059942
  C      -3.212837      1.627849      8.232224
  N      -2.303973      1.935081      7.097594
  C      -1.365290      0.824574      6.799085
  C      -2.094653     -0.267170      6.049686
  C      -1.553814      3.202327      7.288580
  C      -1.327377      3.788763      5.898272
  N      -2.617979      3.912941      5.228859
  H      -1.352789     -0.939672      5.580492
  H      -2.684548     -0.900716      6.743503
  H      -0.571858      1.236436      6.161318
  H      -0.895892      0.445485      7.723386
  H      -0.820559      4.766736      5.970932
  H      -0.664056      3.130660      5.313918
  H      -2.178095      3.889020      7.876533
  H      -0.621371      3.019115      7.850730
  H      -5.258065      2.035323      8.774000
  H      -4.347322      3.481715      8.302419
  H      -3.442668      0.554273      8.193966
  H      -2.722041      1.844211      9.196759
  C      -3.647333     -0.710558      4.254415
  C      -2.790865     -1.196903      3.074786
  C      -2.900432     -0.309031      1.852014
  O      -4.257365     -0.473216      1.327967
  C      -4.423960     -0.262956     -0.010013
  C      -4.850142     -1.306177     -0.814682
  C      -5.063315     -1.076489     -2.189647
  N      -4.869639      0.086673     -2.795982
  C      -4.466774      1.130168     -2.016007
  C      -4.255614      2.398476     -2.611422
  C      -3.892553      3.466939     -1.815945
  C      -3.773881      3.277931     -0.426643
  N      -3.945011      2.101987      0.176146
  C      -4.256254      1.022469     -0.602017
  C      -3.248029      5.210147      5.498359
  C      -4.395826      5.561073      4.556961
  C      -3.926115      5.865718      3.141573
  O      -4.920624      5.499644      2.148699
  C      -6.071824      6.208425      2.062096
  C      -6.349400      7.400640      2.706501
  C      -7.612342      8.004100      2.504024
  N      -8.576417      7.523062      1.736679
  C      -8.308347      6.354476      1.081762
  C      -9.286970      5.791916      0.225800
  C      -9.003489      4.624188     -0.448911
  C      -7.750395      4.002563     -0.247008
  N      -6.813569      4.477625      0.560834
  C      -7.074328      5.646206      1.206475
  C      -6.426769      2.210236      6.494633
  C      -7.067707      3.609416      6.425319
  C      -8.387903      3.642370      5.678126
  O      -8.157895      3.123921      4.343448
  C      -9.226533      2.989800      3.531754
  C     -10.464934      3.583133      3.722752
  C     -11.496927      3.340731      2.789777
  N     -11.402858      2.543821      1.737729
  C     -10.198603      1.930613      1.548187
  C     -10.050145      1.031552      0.463528
  C      -8.841585      0.397441      0.265345
  C      -7.773464      0.687510      1.135667
  N      -7.864783      1.530440      2.158891
  C      -9.061667      2.138060      2.390973
  H      -3.887692     -1.567328      4.910838
  H      -4.603739     -0.329999      3.874631
  H      -1.732759     -1.247816      3.376799
  H      -3.091145     -2.218054      2.791634
  H      -2.189111     -0.619435      1.071852
  H      -2.725709      0.750797      2.092039
  H      -5.005038     -2.294920     -0.382340
  H      -5.394506     -1.904898     -2.823926
  H      -4.396709      2.493904     -3.688857
  H      -3.720753      4.456858     -2.238955
  H      -3.560449      4.127319      0.226140
  H      -2.472228      5.996500      5.422323
  H      -3.633865      5.268154      6.537297
  H      -4.955184      6.404615      4.983748
  H      -5.084980      4.705388      4.503682
  H      -3.065665      5.233517      2.887221
  H      -3.643827      6.920688      3.003276
  H      -5.626194      7.884109      3.360677
  H      -7.828258      8.945927      3.018643
  H     -10.241848      6.308680      0.119077
  H      -9.732063      4.167746     -1.119246
  H      -7.512830      3.068529     -0.765236
  H      -6.889073      1.624992      7.310466
  H      -6.631935      1.682481      5.556108
  H      -6.367941      4.290075      5.922839
  H      -7.240320      4.020383      7.432188
  H      -8.764018      4.675671      5.616248
  H      -9.157259      3.015521      6.159933
  H     -10.663241      4.235563      4.570905
  H     -12.461887      3.835193      2.938844
  H     -10.911193      0.864136     -0.185256
  H      -8.694299     -0.309565     -0.551600
  H      -6.799912      0.216094      0.986694
  N      -4.701365      2.375689      3.744973
  N      -5.317461      2.574910      2.527131
  H      -6.296540      2.114404      2.489889
  H      -4.725535      2.225624      1.680819
  H      -5.448538      3.589646      2.327793
103
Coordinates from ORCA-job orca E -6485.325144893653
  N      -2.989817      0.334311      5.059802
  Mo     -3.683807      2.185870      5.231498
  N      -4.974309      2.250798      6.697466
  C      -4.501462      2.418591      8.073104
  C      -3.208744      1.630284      8.239632
  N      -2.302776      1.939010      7.103123
  C      -1.365572      0.828510      6.800121
  C      -2.097567     -0.260459      6.049058
  C      -1.551849      3.205694      7.295311
  C      -1.328168      3.794381      5.905372
  N      -2.620352      3.923063      5.239571
  H      -1.356869     -0.931247      5.575649
  H      -2.685416     -0.896273      6.742445
  H      -0.572373      1.241259      6.162808
  H      -0.896061      0.446259      7.723084
  H      -0.817577      4.770462      5.977300
  H      -0.668860      3.134226      5.318787
  H      -2.174807      3.891333      7.885868
  H      -0.618273      3.021302      7.855270
  H      -5.251944      2.039512      8.788090
  H      -4.341005      3.486211      8.316616
  H      -3.440984      0.557325      8.198216
  H      -2.714336      1.842074      9.203355
  C      -3.652819     -0.701395      4.256903
  C      -2.794528     -1.189390      3.078467
  C      -2.909592     -0.309480      1.850465
  O      -4.262526     -0.493102      1.322942
  C      -4.433159     -0.277645     -0.013576
  C      -4.852352     -1.320532     -0.822571
  C      -5.076870     -1.083911     -2.194720
  N      -4.900176      0.085216     -2.794864
  C      -4.505107      1.127996     -2.010454
  C      -4.317892      2.404357     -2.597000
  C      -3.968550      3.472740     -1.795211
  C      -3.837422      3.274519     -0.408267
  N      -3.984301      2.091138      0.185417
  C      -4.284119      1.013188     -0.598695
  C      -3.244505      5.223559      5.505330
  C      -4.388935      5.575743      4.559520
  C      -3.913968      5.862104      3.142181
  O      -4.912580      5.502210      2.151299
  C      -6.053200      6.226867      2.056658
  C      -6.308827      7.434850      2.680258
  C      -7.563111      8.054375      2.473000
  N      -8.539564      7.574061      1.720676
  C      -8.294493      6.388436      1.087982
  C      -9.289689      5.823086      0.252733
  C      -9.031870      4.634967     -0.396166
  C      -7.786107      4.000148     -0.193586
  N      -6.833288      4.478159      0.593690
  C      -7.069824      5.663785      1.217750
  C      -6.423682      2.200365      6.509383
  C      -7.076564      3.592089      6.421982
  C      -8.393234      3.603496      5.668711
  O      -8.148753      3.069270      4.342949
  C      -9.204945      2.944507      3.514944
  C     -10.438000      3.554851      3.687191
  C     -11.454782      3.336300      2.732469
  N     -11.350408      2.550623      1.673162
  C     -10.152863      1.919488      1.501941
  C      -9.997568      1.031591      0.409162
  C      -8.798845      0.374237      0.231420
  C      -7.746831      0.627594      1.132566
  N      -7.842940      1.461379      2.163066
  C      -9.031217      2.095000      2.372761
  H      -3.893165     -1.557717      4.913861
  H      -4.609050     -0.321179      3.876117
  H      -1.735914     -1.232528      3.379980
  H      -3.089179     -2.213678      2.800709
  H      -2.192124     -0.615413      1.074124
  H      -2.747889      0.753301      2.086230
  H      -4.993606     -2.313832     -0.395323
  H      -5.405805     -1.910786     -2.831618
  H      -4.467718      2.506391     -3.672678
  H      -3.817252      4.468655     -2.211973
  H      -3.632753      4.121741      0.250407
  H      -2.465139      6.006225      5.427325
  H      -3.630981      5.287150      6.543772
  H      -4.941943      6.428418      4.976615
  H      -5.085117      4.725754      4.513101
  H      -3.062689      5.215068      2.893737
  H      -3.614786      6.911517      2.995465
  H      -5.574503      7.919369      3.321381
  H      -7.760995      9.008990      2.971025
  H     -10.236960      6.353236      0.143040
  H      -9.774149      4.174272     -1.048545
  H      -7.568755      3.051252     -0.693236
  H      -6.882835      1.619225      7.329969
  H      -6.621607      1.661572      5.575532
  H      -6.382190      4.271005      5.910202
  H      -7.253463      4.014975      7.423150
  H      -8.777251      4.632735      5.588909
  H      -9.160460      2.977523      6.155082
  H     -10.641343      4.205172      4.535857
  H     -12.415273      3.843555      2.866963
  H     -10.846112      0.890379     -0.261966
  H      -8.647947     -0.324648     -0.591773
  H      -6.781094      0.134948      1.002314
  N      -4.709386      2.391143      3.757620
  N      -5.333275      2.591334      2.543554
  H      -6.319807      2.144303      2.520352
  H      -4.751933      2.229671      1.698535
  H      -5.452467      3.606033      2.335858
103
Coordinates from ORCA-job orca E -6485.325193607381
  N      -3.012763      0.333501      5.059038
  Mo     -3.692092      2.189997      5.229192
  N      -4.984852      2.266833      6.692827
  C      -4.513054      2.436077      8.068512
  C      -3.228622      1.635593      8.239877
  N      -2.317489      1.933728      7.104501
  C      -1.390119      0.813593      6.805084
  C      -2.129073     -0.269198      6.051210
  C      -1.554455      3.192995      7.296804
  C      -1.322579      3.776928      5.906725
  N      -2.612631      3.917881      5.239796
  H      -1.392253     -0.945605      5.579861
  H      -2.724485     -0.900450      6.742271
  H      -0.590954      1.218847      6.170505
  H      -0.927444      0.427406      7.729843
  H      -0.801952      4.747728      5.977685
  H      -0.669533      3.108783      5.322147
  H      -2.171938      3.885360      7.885248
  H      -0.623958      2.999961      7.858983
  H      -5.268463      2.067907      8.783986
  H      -4.341612      3.502969      8.307320
  H      -3.471118      0.564838      8.200085
  H      -2.733967      1.844741      9.204038
  C      -3.675594     -0.694082      4.245788
  C      -2.813357     -1.173819      3.066994
  C      -2.922426     -0.284522      1.844785
  O      -4.271010     -0.467335      1.305362
  C      -4.428665     -0.251285     -0.032938
  C      -4.814137     -1.300820     -0.849928
  C      -5.019128     -1.066921     -2.225625
  N      -4.851277      0.105293     -2.822103
  C      -4.487124      1.154006     -2.030742
  C      -4.307700      2.432756     -2.614593
  C      -3.987749      3.506222     -1.807389
  C      -3.878722      3.310288     -0.418458
  N      -4.020278      2.125200      0.173458
  C      -4.290381      1.042442     -0.615060
  C      -3.223006      5.224475      5.504066
  C      -4.367333      5.579009      4.560754
  C      -3.890836      5.838629      3.139424
  O      -4.898400      5.480682      2.158714
  C      -6.029200      6.219451      2.064066
  C      -6.264526      7.439096      2.672680
  C      -7.510948      8.073479      2.462532
  N      -8.497823      7.596657      1.721455
  C      -8.272835      6.398351      1.105461
  C      -9.279852      5.834002      0.283841
  C      -9.042357      4.631304     -0.345521
  C      -7.804335      3.982463     -0.138606
  N      -6.840653      4.460237      0.635430
  C      -7.057973      5.658659      1.240399
  C      -6.433391      2.227002      6.501514
  C      -7.073460      3.623097      6.397569
  C      -8.391679      3.631788      5.648162
  O      -8.151346      3.074325      4.331424
  C      -9.209678      2.931268      3.509656
  C     -10.446211      3.535336      3.677969
  C     -11.466670      3.290824      2.733480
  N     -11.362249      2.485696      1.688820
  C     -10.160981      1.860232      1.522776
  C     -10.004583      0.952603      0.446525
  C      -8.801402      0.301742      0.274752
  C      -7.745774      0.581441      1.164168
  N      -7.843185      1.434068      2.179157
  C      -9.035850      2.061260      2.383285
  H      -3.921438     -1.554783      4.894985
  H      -4.628987     -0.308106      3.863628
  H      -1.756095     -1.220377      3.372690
  H      -3.107569     -2.195702      2.780110
  H      -2.198882     -0.583452      1.071361
  H      -2.764667      0.776967      2.089189
  H      -4.941698     -2.297655     -0.426521
  H      -5.321056     -1.899187     -2.868844
  H      -4.439542      2.532285     -3.692852
  H      -3.843697      4.504184     -2.221706
  H      -3.698120      4.160576      0.243261
  H      -2.437143      5.999800      5.417888
  H      -3.604066      5.297169      6.543949
  H      -4.908624      6.444274      4.967838
  H      -5.074394      4.737211      4.527649
  H      -3.051239      5.174024      2.897258
  H      -3.574717      6.880775      2.977656
  H      -5.520158      7.921575      3.303938
  H      -7.692630      9.037912      2.947633
  H     -10.220068      6.375803      0.170049
  H      -9.794678      4.169995     -0.985875
  H      -7.603061      3.022514     -0.623292
  H      -6.899827      1.657748      7.326360
  H      -6.633888      1.681104      5.572266
  H      -6.375137      4.288863      5.873202
  H      -7.243610      4.061889      7.393042
  H      -8.770290      4.661682      5.553131
  H      -9.160985      3.017314      6.145740
  H     -10.649908      4.198177      4.516770
  H     -12.430373      3.792938      2.864028
  H     -10.855612      0.791129     -0.216812
  H      -8.650013     -0.411808     -0.535554
  H      -6.776552      0.094037      1.038212
  N      -4.709543      2.405694      3.751227
  N      -5.343061      2.599621      2.540906
  H      -6.323002      2.138307      2.518775
  H      -4.758363      2.244421      1.695331
  H      -5.477666      3.612540      2.331433
103
Coordinates from ORCA-job orca E -6485.325291364200
  N      -3.016754      0.333225      5.061810
  Mo     -3.690578      2.191924      5.226207
  N      -4.985701      2.275276      6.687797
  C      -4.515138      2.450101      8.063160
  C      -3.233377      1.646242      8.239661
  N      -2.319798      1.937061      7.104150
  C      -1.396034      0.812469      6.809823
  C      -2.137685     -0.269804      6.057902
  C      -1.552242      3.194120      7.293382
  C      -1.316499      3.772394      5.901683
  N      -2.605299      3.916734      5.233205
  H      -1.402616     -0.950650      5.590216
  H      -2.737107     -0.896307      6.749790
  H      -0.594363      1.212866      6.175335
  H      -0.936439      0.427510      7.736609
  H      -0.791743      4.741167      5.969810
  H      -0.665820      3.099410      5.320024
  H      -2.168145      3.890615      7.878576
  H      -0.623374      2.999395      7.857691
  H      -5.272414      2.088097      8.779786
  H      -4.340044      3.517553      8.296488
  H      -3.479240      0.576102      8.203906
  H      -2.739157      1.857801      9.203513
  C      -3.680702     -0.694253      4.249713
  C      -2.818493     -1.178554      3.072966
  C      -2.922494     -0.290113      1.849823
  O      -4.272583     -0.464580      1.311752
  C      -4.428164     -0.250686     -0.027323
  C      -4.813471     -1.300689     -0.843567
  C      -5.015243     -1.068204     -2.220012
  N      -4.844305      0.102974     -2.817367
  C      -4.479427      1.152028     -2.026755
  C      -4.294306      2.428884     -2.612618
  C      -3.970311      3.502237     -1.806921
  C      -3.862236      3.307994     -0.417678
  N      -4.009804      2.124529      0.176427
  C      -4.285367      1.041886     -0.610530
  C      -3.209062      5.227419      5.492685
  C      -4.354675      5.584378      4.551673
  C      -3.883528      5.830976      3.126092
  O      -4.903556      5.483896      2.154066
  C      -6.024653      6.237914      2.064288
  C      -6.235646      7.466921      2.662954
  C      -7.475076      8.117107      2.460015
  N      -8.477347      7.646585      1.735761
  C      -8.277179      6.438293      1.130837
  C      -9.302847      5.878516      0.329317
  C      -9.090768      4.665023     -0.288353
  C      -7.859363      4.001245     -0.089934
  N      -6.878604      4.474660      0.665115
  C      -7.071242      5.683117      1.258831
  C      -6.433770      2.227465      6.494815
  C      -7.081778      3.619173      6.381794
  C      -8.401950      3.614846      5.635309
  O      -8.159747      3.055474      4.319785
  C      -9.217358      2.903142      3.498915
  C     -10.458898      3.496923      3.666773
  C     -11.476176      3.245337      2.720588
  N     -11.363454      2.443928      1.673930
  C     -10.156674      1.829027      1.507921
  C      -9.989575      0.927989      0.427788
  C      -8.779867      0.289321      0.255412
  C      -7.728750      0.573959      1.148680
  N      -7.836512      1.420811      2.167520
  C      -9.035090      2.036480      2.371368
  H      -3.929919     -1.553049      4.900124
  H      -4.632579     -0.306496      3.865573
  H      -1.761845     -1.229276      3.380117
  H      -3.116684     -2.199426      2.786586
  H      -2.200975     -0.594314      1.076573
  H      -2.758411      0.770823      2.092964
  H      -4.944020     -2.296665     -0.419039
  H      -5.316912     -1.900772     -2.862954
  H      -4.424426      2.527012     -3.691204
  H      -3.821508      4.498859     -2.222832
  H      -3.677894      4.158444      0.242641
  H      -2.419524      5.998388      5.400789
  H      -3.586472      5.307067      6.533459
  H      -4.887026      6.456744      4.955242
  H      -5.068583      4.748140      4.527279
  H      -3.055573      5.152842      2.881786
  H      -3.553086      6.867657      2.958038
  H      -5.477387      7.944709      3.281099
  H      -7.637210      9.089267      2.936512
  H     -10.236692      6.432378      0.221219
  H      -9.857988      4.206550     -0.912828
  H      -7.678258      3.032689     -0.565353
  H      -6.898521      1.660857      7.322463
  H      -6.630657      1.674810      5.568758
  H      -6.388668      4.285224      5.850625
  H      -7.251782      4.064117      7.374535
  H      -8.789202      4.641262      5.537465
  H      -9.165270      2.995952      6.136655
  H     -10.668892      4.157175      4.506092
  H     -12.444225      3.739095      2.850856
  H     -10.837502      0.761855     -0.238369
  H      -8.620235     -0.418536     -0.558262
  H      -6.754814      0.095821      1.023511
  N      -4.704091      2.409057      3.746478
  N      -5.348403      2.595143      2.541083
  H      -6.322257      2.122547      2.525580
  H      -4.766126      2.245864      1.689494
  H      -5.496609      3.605978      2.331957
103
Coordinates from ORCA-job orca E -6485.325383033505
  N      -3.014986      0.330571      5.066459
  Mo     -3.690850      2.188784      5.225404
  N      -4.989196      2.275589      6.684706
  C      -4.522174      2.454851      8.060614
  C      -3.241937      1.649862      8.242708
  N      -2.325399      1.937799      7.109208
  C      -1.401114      0.812132      6.820750
  C      -2.140132     -0.270956      6.067249
  C      -1.558561      3.195492      7.297553
  C      -1.318055      3.769233      5.904803
  N      -2.604317      3.913372      5.231154
  H      -1.403249     -0.952441      5.603278
  H      -2.742477     -0.896409      6.757477
  H      -0.596120      1.210838      6.189449
  H      -0.946260      0.428267      7.750322
  H      -0.791772      4.737335      5.970871
  H      -0.666681      3.093082      5.327583
  H      -2.176813      3.893569      7.878362
  H      -0.631790      3.002689      7.866009
  H      -5.281641      2.096422      8.776665
  H      -4.346088      3.522882      8.290384
  H      -3.488992      0.579931      8.208008
  H      -2.749991      1.862596      9.207480
  C      -3.668426     -0.698068      4.247293
  C      -2.796954     -1.173698      3.073490
  C      -2.904814     -0.286775      1.849517
  O      -4.252161     -0.471746      1.308583
  C      -4.407555     -0.259810     -0.030899
  C      -4.786906     -1.312290     -0.846739
  C      -4.991653     -1.081111     -2.222986
  N      -4.830445      0.091487     -2.820163
  C      -4.474153      1.143357     -2.029401
  C      -4.303755      2.422592     -2.614379
  C      -3.993373      3.499325     -1.807722
  C      -3.883591      3.305475     -0.418505
  N      -4.015441      2.119499      0.174474
  C      -4.277604      1.034247     -0.613391
  C      -3.205880      5.226807      5.483203
  C      -4.347063      5.585979      4.537401
  C      -3.873366      5.821377      3.110642
  O      -4.900702      5.489015      2.140503
  C      -6.010646      6.259559      2.052284
  C      -6.194641      7.500081      2.636209
  C      -7.424967      8.168473      2.438152
  N      -8.443353      7.705231      1.731944
  C      -8.270843      6.485293      1.142227
  C      -9.316265      5.931561      0.362359
  C      -9.133631      4.704981     -0.238665
  C      -7.912136      4.022210     -0.044756
  N      -6.912613      4.490583      0.688803
  C      -7.076244      5.711427      1.266556
  C      -6.436861      2.218571      6.490091
  C      -7.094283      3.606179      6.379425
  C      -8.416580      3.594433      5.636176
  O      -8.173152      3.037389      4.320181
  C      -9.228806      2.882514      3.497751
  C     -10.471024      3.476140      3.660547
  C     -11.483131      3.226307      2.708396
  N     -11.364683      2.426850      1.660697
  C     -10.157095      1.812093      1.499783
  C      -9.982853      0.914684      0.417651
  C      -8.771060      0.278473      0.249750
  C      -7.726008      0.559973      1.150930
  N      -7.840811      1.402591      2.172445
  C      -9.040618      2.017614      2.370156
  H      -3.915727     -1.560566      4.893391
  H      -4.620707     -0.314846      3.859558
  H      -1.741065     -1.213564      3.384874
  H      -3.083860     -2.197506      2.786025
  H      -2.179092     -0.585891      1.078234
  H      -2.749500      0.775581      2.092403
  H      -4.912494     -2.308689     -0.421862
  H      -5.289398     -1.915343     -2.865573
  H      -4.435434      2.520095     -3.692833
  H      -3.856915      4.497960     -2.223121
  H      -3.710195      4.157465      0.242806
  H      -2.413378      5.994786      5.391567
  H      -3.586657      5.311244      6.522495
  H      -4.874474      6.463854      4.935008
  H      -5.066197      4.754501      4.516034
  H      -3.057728      5.127919      2.868566
  H      -3.524923      6.851759      2.939656
  H      -5.421401      7.973249      3.239021
  H      -7.564968      9.149819      2.902654
  H     -10.241330      6.500472      0.257024
  H      -9.916796      4.249924     -0.845596
  H      -7.755640      3.042400     -0.505584
  H      -6.898748      1.648196      7.316778
  H      -6.629982      1.665603      5.563433
  H      -6.406365      4.276526      5.847067
  H      -7.264142      4.049147      7.373056
  H      -8.810549      4.618404      5.539074
  H      -9.174939      2.970672      6.139075
  H     -10.683929      4.136703      4.498945
  H     -12.451591      3.720577      2.833605
  H     -10.826381      0.750098     -0.254470
  H      -8.605117     -0.425698     -0.565984
  H      -6.751306      0.082788      1.031086
  N      -4.700354      2.403704      3.743196
  N      -5.353683      2.582137      2.541699
  H      -6.323472      2.100467      2.532443
  H      -4.773133      2.235793      1.686935
  H      -5.513536      3.590367      2.329899
103
Coordinates from ORCA-job orca E -6485.325473477907
  N      -3.020093      0.332122      5.066173
  Mo     -3.692367      2.191806      5.220688
  N      -4.994582      2.284238      6.676892
  C      -4.531590      2.466457      8.053657
  C      -3.255653      1.655998      8.241958
  N      -2.334145      1.938518      7.111338
  C      -1.412809      0.809125      6.828348
  C      -2.151901     -0.271532      6.071491
  C      -1.563530      3.193710      7.300587
  C      -1.316198      3.764094      5.907994
  N      -2.599605      3.912944      5.230130
  H      -1.415009     -0.955330      5.610893
  H      -2.759473     -0.894882      6.758961
  H      -0.602706      1.204256      6.201408
  H      -0.964751      0.423897      7.760651
  H      -0.785723      4.729910      5.973826
  H      -0.666087      3.083981      5.333951
  H      -2.181686      3.894667      7.878012
  H      -0.639638      2.998687      7.873002
  H      -5.294944      2.114063      8.768529
  H      -4.351076      3.534416      8.280096
  H      -3.507491      0.587147      8.207562
  H      -2.766038      1.867770      9.208143
  C      -3.666876     -0.695905      4.241024
  C      -2.788497     -1.165596      3.069872
  C      -2.899043     -0.280117      1.845297
  O      -4.244626     -0.472472      1.303023
  C      -4.399464     -0.261834     -0.036544
  C      -4.771462     -1.316373     -0.853026
  C      -4.975482     -1.086111     -2.229558
  N      -4.819603      0.087410     -2.826312
  C      -4.470966      1.141205     -2.034690
  C      -4.307784      2.421663     -2.618896
  C      -4.007202      3.500369     -1.811122
  C      -3.898768      3.306877     -0.421697
  N      -4.022636      2.119540      0.170409
  C      -4.276293      1.032944     -0.618367
  C      -3.195905      5.228983      5.480628
  C      -4.334825      5.591133      4.534184
  C      -3.859246      5.812439      3.106122
  O      -4.893818      5.492485      2.139912
  C      -5.993198      6.277855      2.054806
  C      -6.152474      7.528600      2.624274
  C      -7.373585      8.214135      2.428480
  N      -8.405448      7.758634      1.736844
  C      -8.257923      6.528267      1.162429
  C      -9.319116      5.981165      0.399494
  C      -9.162819      4.742437     -0.183697
  C      -7.952263      4.040925      0.011767
  N      -6.937643      4.504063      0.727942
  C      -7.075228      5.736389      1.287561
  C      -6.441335      2.223249      6.478717
  C      -7.101395      3.609033      6.362427
  C      -8.424311      3.590122      5.620372
  O      -8.179986      3.025205      4.307974
  C      -9.235330      2.857991      3.487905
  C     -10.480488      3.446247      3.647255
  C     -11.491573      3.183945      2.697561
  N     -11.369420      2.376788      1.656099
  C     -10.158663      1.767346      1.498777
  C      -9.979278      0.864415      0.422071
  C      -8.762399      0.237306      0.255667
  C      -7.718365      0.531510      1.153945
  N      -7.838594      1.378308      2.171583
  C      -9.042762      1.985797      2.366744
  H      -3.914107     -1.561078      4.883425
  H      -4.618846     -0.314770      3.850416
  H      -1.733363     -1.197278      3.384821
  H      -3.066824     -2.191553      2.781673
  H      -2.170735     -0.576091      1.075246
  H      -2.749432      0.783261      2.087612
  H      -4.892388     -2.313530     -0.428580
  H      -5.268130     -1.921736     -2.872654
  H      -4.437834      2.518669     -3.697594
  H      -3.877379      4.500097     -2.226012
  H      -3.733639      4.159780      0.240478
  H      -2.400118      5.993447      5.388037
  H      -3.576810      5.316323      6.519716
  H      -4.855629      6.475533      4.926064
  H      -5.060359      4.765102      4.518118
  H      -3.056589      5.103019      2.867109
  H      -3.492773      6.835683      2.929871
  H      -5.366081      7.996918      3.213729
  H      -7.493364      9.203654      2.881123
  H     -10.234923      6.564597      0.292715
  H      -9.958769      4.291272     -0.776727
  H      -7.818246      3.050694     -0.433375
  H      -6.904226      1.654173      7.305799
  H      -6.631398      1.667276      5.553244
  H      -6.414742      4.278013      5.826436
  H      -7.271236      4.056052      7.354237
  H      -8.821055      4.612418      5.517137
  H      -9.180672      2.967514      6.127697
  H     -10.695441      4.112234      4.480852
  H     -12.462259      3.674728      2.818868
  H     -10.822084      0.689539     -0.248351
  H      -8.591623     -0.469389     -0.556869
  H      -6.739895      0.061604      1.035593
  N      -4.695999      2.409406      3.734857
  N      -5.361909      2.581182      2.538937
  H      -6.326618      2.089260      2.536814
  H      -4.784199      2.239419      1.679759
  H      -5.536965      3.586592      2.325322
103
Coordinates from ORCA-job orca E -6485.325562294935
  N      -3.022131      0.333209      5.065380
  Mo     -3.693313      2.193085      5.216143
  N      -5.000120      2.289781      6.669084
  C      -4.542474      2.475125      8.047061
  C      -3.270822      1.659616      8.242375
  N      -2.343801      1.938070      7.115674
  C      -1.423874      0.806211      6.838012
  C      -2.160575     -0.272221      6.075526
  C      -1.570837      3.191396      7.307228
  C      -1.315884      3.759566      5.915677
  N      -2.595886      3.911728      5.232512
  H      -1.422330     -0.956760      5.618175
  H      -2.773260     -0.895145      6.758757
  H      -0.608266      1.199379      6.217047
  H      -0.983406      0.419123      7.773163
  H      -0.782935      4.723914      5.982824
  H      -0.665168      3.077279      5.344779
  H      -2.190230      3.894266      7.881002
  H      -0.650281      2.994841      7.884499
  H      -5.310211      2.128646      8.760058
  H      -4.357898      3.542990      8.270274
  H      -3.527073      0.591809      8.207423
  H      -2.784416      1.870076      9.210491
  C      -3.658596     -0.694122      4.231275
  C      -2.773041     -1.147368      3.059022
  C      -2.895814     -0.259403      1.837450
  O      -4.239448     -0.466838      1.296141
  C      -4.397038     -0.257832     -0.042991
  C      -4.755869     -1.316900     -0.859494
  C      -4.958339     -1.090082     -2.236815
  N      -4.811227      0.084062     -2.834610
  C      -4.476299      1.142256     -2.042877
  C      -4.323754      2.423550     -2.628079
  C      -4.039214      3.506639     -1.820333
  C      -3.935711      3.316324     -0.430074
  N      -4.048469      2.128235      0.162882
  C      -4.286223      1.037751     -0.625616
  C      -3.189463      5.228828      5.483147
  C      -4.326208      5.592037      4.535929
  C      -3.846734      5.798094      3.107660
  O      -4.886680      5.492079      2.143848
  C      -5.973068      6.294356      2.058563
  C      -6.105489      7.557044      2.608562
  C      -7.313385      8.263705      2.406512
  N      -8.356519      7.818655      1.724730
  C      -8.236330      6.575744      1.171599
  C      -9.310404      6.037457      0.420676
  C      -9.182589      4.783840     -0.137208
  C      -7.988496      4.058511      0.072864
  N      -6.961642      4.514494      0.776566
  C      -7.070597      5.761150      1.308885
  C      -6.445723      2.224378      6.467329
  C      -7.107705      3.608810      6.348984
  C      -8.430802      3.584491      5.608076
  O      -8.184873      3.007936      4.301261
  C      -9.238162      2.831439      3.480981
  C     -10.482204      3.424868      3.628749
  C     -11.489681      3.155086      2.677605
  N     -11.364999      2.336338      1.645434
  C     -10.155409      1.721599      1.499991
  C      -9.972457      0.809683      0.431546
  C      -8.755176      0.180401      0.275253
  C      -7.715356      0.478599      1.177061
  N      -7.839474      1.332725      2.188421
  C      -9.043195      1.945109      2.371482
  H      -3.900162     -1.565859      4.866752
  H      -4.612943     -0.318423      3.841139
  H      -1.717902     -1.163877      3.375243
  H      -3.035295     -2.176424      2.766924
  H      -2.164960     -0.544452      1.065653
  H      -2.758286      0.805007      2.082569
  H      -4.866346     -2.315235     -0.434888
  H      -5.240295     -1.929428     -2.879894
  H      -4.449463      2.517719     -3.707546
  H      -3.918928      4.507226     -2.235941
  H      -3.785799      4.172177      0.231947
  H      -2.392077      5.991658      5.391212
  H      -3.571616      5.316408      6.521818
  H      -4.841594      6.482786      4.920922
  H      -5.057295      4.770631      4.525151
  H      -3.058382      5.071245      2.873158
  H      -3.460180      6.813114      2.926711
  H      -5.306726      8.019048      3.186452
  H      -7.411135      9.262691      2.843368
  H     -10.212938      6.639125      0.302635
  H      -9.989159      4.338060     -0.719963
  H      -7.879784      3.055686     -0.350261
  H      -6.909444      1.654305      7.293350
  H      -6.632914      1.667951      5.541598
  H      -6.421819      4.276770      5.810360
  H      -7.277265      4.058309      7.339713
  H      -8.827626      4.605866      5.496493
  H      -9.187089      2.965721      6.120175
  H     -10.697239      4.101891      4.453401
  H     -12.458899      3.651181      2.788264
  H     -10.812033      0.630557     -0.241774
  H      -8.580916     -0.531554     -0.531859
  H      -6.736725      0.006363      1.067268
  N      -4.689683      2.412273      3.724907
  N      -5.375196      2.574570      2.538159
  H      -6.331341      2.066347      2.543261
  H      -4.798801      2.240065      1.675534
  H      -5.574536      3.575262      2.321526
103
Coordinates from ORCA-job orca E -6485.325614348021
  N      -3.030867      0.333246      5.067867
  Mo     -3.694803      2.195670      5.214487
  N      -5.003458      2.299389      6.665572
  C      -4.547001      2.487251      8.043632
  C      -3.278887      1.667168      8.243106
  N      -2.349155      1.938739      7.116964
  C      -1.434180      0.801836      6.843172
  C      -2.174530     -0.274547      6.081138
  C      -1.570189      3.188666      7.307069
  C      -1.311057      3.752458      5.914580
  N      -2.590005      3.909700      5.230609
  H      -1.438592     -0.963330      5.626432
  H      -2.791677     -0.893342      6.764071
  H      -0.615476      1.189927      6.223107
  H      -0.997367      0.414252      7.779836
  H      -0.773236      4.714241      5.980048
  H      -0.663534      3.065678      5.345494
  H      -2.186663      3.895897      7.878616
  H      -0.651300      2.988680      7.885825
  H      -5.317033      2.146192      8.756739
  H      -4.358260      3.554992      8.263728
  H      -3.539609      0.600362      8.210690
  H      -2.792935      1.878218      9.211304
  C      -3.665790     -0.691455      4.229197
  C      -2.775760     -1.143451      3.059602
  C      -2.895853     -0.255811      1.837341
  O      -4.236252     -0.466878      1.288963
  C      -4.385964     -0.258953     -0.051577
  C      -4.727407     -1.320901     -0.871682
  C      -4.920699     -1.095011     -2.250581
  N      -4.781550      0.081228     -2.846117
  C      -4.464655      1.142287     -2.050862
  C      -4.321270      2.425741     -2.633682
  C      -4.054133      3.510882     -1.822714
  C      -3.959685      3.320299     -0.431891
  N      -4.064975      2.130494      0.159007
  C      -4.284518      1.038318     -0.632299
  C      -3.177868      5.229643      5.479299
  C      -4.313454      5.594412      4.531070
  C      -3.834389      5.789689      3.100995
  O      -4.880062      5.489636      2.141875
  C      -5.956862      6.304059      2.054722
  C      -6.070012      7.574419      2.591350
  C      -7.270150      8.293905      2.388665
  N      -8.323335      7.854152      1.718906
  C      -8.223168      6.602885      1.180678
  C      -9.309576      6.068629      0.444502
  C      -9.201751      4.806451     -0.098238
  C      -8.014935      4.069270      0.111355
  N      -6.977552      4.520580      0.802669
  C      -7.066819      5.775319      1.320037
  C      -6.448730      2.230145      6.463085
  C      -7.115527      3.611941      6.340218
  C      -8.440815      3.579026      5.603542
  O      -8.195885      2.999567      4.297784
  C      -9.250568      2.812525      3.481661
  C     -10.500405      3.392349      3.634509
  C     -11.508704      3.111644      2.687244
  N     -11.378731      2.295525      1.653652
  C     -10.163067      1.694029      1.503351
  C      -9.974088      0.784871      0.433661
  C      -8.751362      0.167118      0.274107
  C      -7.711859      0.475081      1.173079
  N      -7.841125      1.328193      2.184646
  C      -9.050391      1.928328      2.371479
  H      -3.910880     -1.564153      4.861912
  H      -4.618139     -0.313712      3.836141
  H      -1.721688     -1.157799      3.379475
  H      -3.034977     -2.173074      2.766740
  H      -2.160528     -0.539003      1.069102
  H      -2.762476      0.808920      2.083048
  H      -4.830504     -2.320763     -0.448808
  H      -5.187961     -1.936727     -2.896798
  H      -4.439389      2.519627     -3.714029
  H      -3.940221      4.513054     -2.236329
  H      -3.823099      4.176903      0.232156
  H      -2.377502      5.989077      5.385244
  H      -3.559198      5.320940      6.517928
  H      -4.823343      6.490127      4.911775
  H      -5.048920      4.776966      4.524870
  H      -3.053587      5.054186      2.867995
  H      -3.438357      6.800189      2.915131
  H      -5.261668      8.032856      3.158775
  H      -7.352630      9.298989      2.814538
  H     -10.205528      6.679930      0.325584
  H     -10.017885      4.363608     -0.669927
  H      -7.920975      3.060946     -0.302203
  H      -6.911381      1.661237      7.290551
  H      -6.633998      1.670124      5.539159
  H      -6.433802      4.279965      5.796452
  H      -7.283685      4.065161      7.329483
  H      -8.842880      4.598078      5.489747
  H      -9.192530      2.958435      6.120121
  H     -10.720013      4.065825      4.460858
  H     -12.483700      3.595200      2.803025
  H     -10.813925      0.597307     -0.237034
  H      -8.572766     -0.543474     -0.533283
  H      -6.729394      0.011762      1.060916
  N      -4.687769      2.416819      3.721419
  N      -5.381672      2.575328      2.539523
  H      -6.335317      2.063370      2.551506
  H      -4.809394      2.242262      1.673406
  H      -5.588654      3.574460      2.322226
103
Coordinates from ORCA-job orca E -6485.325657283369
  N      -3.034711      0.334034      5.069107
  Mo     -3.694171      2.197900      5.212473
  N      -5.004645      2.306333      6.661857
  C      -4.550354      2.495208      8.040557
  C      -3.285106      1.671532      8.243756
  N      -2.352716      1.938731      7.119111
  C      -1.440821      0.798730      6.848055
  C      -2.182728     -0.275795      6.084927
  C      -1.569741      3.186172      7.309748
  C      -1.307721      3.749061      5.917413
  N      -2.586071      3.909444      5.233093
  H      -1.448019     -0.967166      5.632156
  H      -2.803582     -0.892243      6.766570
  H      -0.619337      1.183779      6.229785
  H      -1.007428      0.410034      7.785872
  H      -0.767787      4.709666      5.983507
  H      -0.661412      3.061106      5.348432
  H      -2.184242      3.895788      7.880455
  H      -0.652071      2.983360      7.889466
  H      -5.322750      2.157612      8.752710
  H      -4.359005      3.562718      8.259367
  H      -3.549288      0.605535      8.212411
  H      -2.800302      1.882368      9.212568
  C      -3.666479     -0.688557      4.225269
  C      -2.772338     -1.135084      3.056409
  C      -2.895390     -0.246915      1.834714
  O      -4.233284     -0.465887      1.282747
  C      -4.379647     -0.260136     -0.058532
  C      -4.708505     -1.325940     -0.878779
  C      -4.894897     -1.104205     -2.259331
  N      -4.762584      0.072183     -2.856091
  C      -4.460288      1.137385     -2.060712
  C      -4.325168      2.421142     -2.644930
  C      -4.071885      3.509872     -1.834495
  C      -3.983938      3.322504     -0.442728
  N      -4.082604      2.132979      0.149587
  C      -4.287008      1.037384     -0.640980
  C      -3.173513      5.228808      5.485565
  C      -4.308065      5.593898      4.536236
  C      -3.826363      5.785849      3.106865
  O      -4.872354      5.489218      2.147745
  C      -5.940657      6.313317      2.053778
  C      -6.039928      7.589865      2.578516
  C      -7.230659      8.321877      2.365900
  N      -8.287135      7.889035      1.696778
  C      -8.201655      6.631091      1.171796
  C      -9.292669      6.102978      0.437825
  C      -9.198764      4.834652     -0.093268
  C      -8.021303      4.085279      0.125690
  N      -6.981626      4.529412      0.818437
  C      -7.056180      5.790410      1.323117
  C      -6.449607      2.232900      6.459132
  C      -7.121372      3.612379      6.337154
  C      -8.450105      3.572744      5.607250
  O      -8.208657      2.990286      4.302272
  C      -9.266311      2.791491      3.492789
  C     -10.522486      3.355118      3.654671
  C     -11.532936      3.064213      2.712785
  N     -11.398157      2.254692      1.674630
  C     -10.176122      1.668487      1.515808
  C      -9.981813      0.766352      0.441116
  C      -8.753769      0.161128      0.274848
  C      -7.714373      0.475218      1.171787
  N      -7.847901      1.323505      2.186823
  C      -9.062190      1.911317      2.380181
  H      -3.911950     -1.563634      4.854423
  H      -4.618260     -0.310553      3.831170
  H      -1.718767     -1.142943      3.378159
  H      -3.024542     -2.166091      2.762350
  H      -2.156729     -0.525255      1.067853
  H      -2.768788      0.818210      2.081768
  H      -4.805075     -2.325998     -0.454866
  H      -5.149692     -1.949662     -2.905826
  H      -4.437934      2.512122     -3.726108
  H      -3.963519      4.512250     -2.249139
  H      -3.857951      4.181457      0.220578
  H      -2.373262      5.988589      5.393949
  H      -3.556181      5.317117      6.523878
  H      -4.817027      6.490968      4.915152
  H      -5.044057      4.776879      4.529931
  H      -3.047949      5.047321      2.875065
  H      -3.425914      6.794660      2.920989
  H      -5.227099      8.044142      3.142997
  H      -7.302238      9.331733      2.782345
  H     -10.180818      6.723904      0.310414
  H     -10.017989      4.397433     -0.665010
  H      -7.935947      3.074587     -0.283996
  H      -6.910384      1.661868      7.286240
  H      -6.633225      1.672643      5.535052
  H      -6.444769      4.281906      5.788705
  H      -7.286573      4.066488      7.326511
  H      -8.856081      4.590104      5.492117
  H      -9.197224      2.951147      6.129215
  H     -10.746165      4.022799      4.484607
  H     -12.514251      3.532628      2.837473
  H     -10.822297      0.573022     -0.227122
  H      -8.571070     -0.544803     -0.535779
  H      -6.728456      0.020551      1.054805
  N      -4.684524      2.418412      3.716789
  N      -5.387510      2.575484      2.539803
  H      -6.339436      2.061182      2.557165
  H      -4.818539      2.244275      1.671672
  H      -5.602964      3.573377      2.321987
103
Coordinates from ORCA-job orca E -6485.325688884001
  N      -3.044424      0.331740      5.072494
  Mo     -3.695022      2.198504      5.211431
  N      -5.005431      2.314892      6.660374
  C      -4.549988      2.508790      8.037986
  C      -3.288432      1.680270      8.244593
  N      -2.355443      1.939128      7.118363
  C      -1.449185      0.793690      6.850429
  C      -2.196448     -0.279660      6.090721
  C      -1.566025      3.183172      7.305491
  C      -1.302335      3.741680      5.911558
  N      -2.580521      3.906294      5.228136
  H      -1.465243     -0.976392      5.640571
  H      -2.821072     -0.890392      6.774052
  H      -0.626517      1.173191      6.230271
  H      -1.016936      0.405992      7.789172
  H      -0.758016      4.699989      5.975236
  H      -0.659611      3.049565      5.343581
  H      -2.176801      3.897144      7.874716
  H      -0.649153      2.977023      7.885295
  H      -5.323516      2.178580      8.752328
  H      -4.352997      3.576386      8.250929
  H      -3.557205      0.615266      8.218215
  H      -2.802183      1.893435      9.212158
  C      -3.679228     -0.688126      4.228125
  C      -2.785456     -1.137549      3.060262
  C      -2.900188     -0.245265      1.840650
  O      -4.237982     -0.454321      1.284912
  C      -4.376192     -0.249526     -0.057697
  C      -4.693972     -1.316896     -0.880012
  C      -4.871967     -1.096227     -2.261894
  N      -4.741897      0.080793     -2.857489
  C      -4.449613      1.147481     -2.060309
  C      -4.315776      2.431235     -2.644558
  C      -4.069125      3.520940     -1.833528
  C      -3.985421      3.334032     -0.441403
  N      -4.084509      2.144746      0.151368
  C      -4.284365      1.048435     -0.639420
  C      -3.161175      5.229572      5.476424
  C      -4.296911      5.596787      4.528837
  C      -3.820986      5.772712      3.095437
  O      -4.877924      5.483315      2.146090
  C      -5.933279      6.323409      2.047354
  C      -6.009239      7.608160      2.555512
  C      -7.189052      8.356389      2.338170
  N      -8.255953      7.931124      1.680879
  C      -8.194146      6.664239      1.174329
  C      -9.298854      6.141720      0.457037
  C      -9.228130      4.864280     -0.055740
  C      -8.059758      4.101046      0.164144
  N      -7.008316      4.539191      0.842696
  C      -7.060928      5.808225      1.329977
  C      -6.449963      2.235071      6.458811
  C      -7.127755      3.610276      6.326886
  C      -8.460419      3.555634      5.605430
  O      -8.219244      2.966622      4.303737
  C      -9.276309      2.760010      3.496245
  C     -10.536715      3.313596      3.658930
  C     -11.544294      3.017270      2.715365
  N     -11.401553      2.214472      1.673066
  C     -10.174916      1.637786      1.513860
  C      -9.971315      0.743160      0.434674
  C      -8.739303      0.145644      0.269846
  C      -7.705441      0.458898      1.173650
  N      -7.847513      1.301373      2.192325
  C      -9.065079      1.883139      2.382521
  H      -3.930007     -1.562139      4.856748
  H      -4.628520     -0.305452      3.832669
  H      -1.732542     -1.153489      3.383840
  H      -3.043986     -2.166027      2.762958
  H      -2.161079     -0.525738      1.074999
  H      -2.768696      0.818634      2.091231
  H      -4.788970     -2.317250     -0.456410
  H      -5.117805     -1.943028     -2.910090
  H      -4.423886      2.521263     -3.726283
  H      -3.961558      4.523478     -2.248042
  H      -3.862852      4.193467      0.221854
  H      -2.357466      5.985046      5.379188
  H      -3.540195      5.324805      6.515510
  H      -4.795386      6.502181      4.902055
  H      -5.040059      4.786367      4.532891
  H      -3.053224      5.023367      2.863476
  H      -3.408931      6.775153      2.900872
  H      -5.186576      8.056743      3.110132
  H      -7.242151      9.373247      2.740060
  H     -10.178737      6.773899      0.327581
  H     -10.058636      4.431072     -0.614028
  H      -7.991782      3.083985     -0.232722
  H      -6.908609      1.668444      7.290140
  H      -6.632055      1.667352      5.538846
  H      -6.458728      4.277203      5.765725
  H      -7.288071      4.074356      7.312391
  H      -8.875290      4.568816      5.484627
  H      -9.199849      2.931743      6.135604
  H     -10.766399      3.977874      4.490003
  H     -12.529698      3.476795      2.841216
  H     -10.808045      0.549308     -0.238115
  H      -8.550112     -0.554546     -0.544205
  H      -6.717382      0.007886      1.060108
  N      -4.681996      2.420473      3.714010
  N      -5.395615      2.572613      2.542891
  H      -6.341482      2.048161      2.562469
  H      -4.828350      2.248564      1.670778
  H      -5.622455      3.568677      2.328511
103
Coordinates from ORCA-job orca E -6485.325718959516
  N      -3.047624      0.331468      5.075212
  Mo     -3.695666      2.199145      5.211171
  N      -5.005996      2.319006      6.659912
  C      -4.551057      2.514646      8.037455
  C      -3.291541      1.683371      8.246100
  N      -2.357594      1.939355      7.120177
  C      -1.453005      0.792400      6.853736
  C      -2.201380     -0.280435      6.094428
  C      -1.566358      3.182304      7.307000
  C      -1.302458      3.740580      5.913001
  N      -2.580497      3.906497      5.229865
  H      -1.470892     -0.978500      5.645188
  H      -2.827482     -0.889635      6.777730
  H      -0.629473      1.170331      6.233737
  H      -1.021907      0.404717      7.793030
  H      -0.757068      4.698320      5.976514
  H      -0.660657      3.047744      5.344827
  H      -2.175969      3.897127      7.876372
  H      -0.649652      2.974943      7.886632
  H      -5.325755      2.187892      8.752083
  H      -4.351359      3.582098      8.248222
  H      -3.562608      0.618904      8.220792
  H      -2.805344      1.896639      9.213682
  C      -3.678971     -0.687846      4.227638
  C      -2.781476     -1.133094      3.060929
  C      -2.896999     -0.240217      1.841814
  O      -4.232497     -0.454478      1.282525
  C      -4.366680     -0.251239     -0.060657
  C      -4.670572     -1.321591     -0.884253
  C      -4.843871     -1.103038     -2.267117
  N      -4.721420      0.074904     -2.862398
  C      -4.442430      1.144312     -2.064062
  C      -4.317714      2.429101     -2.648047
  C      -4.084430      3.521126     -1.836349
  C      -4.004200      3.335088     -0.443731
  N      -4.095265      2.145255      0.148818
  C      -4.282865      1.047246     -0.642378
  C      -3.160286      5.230141      5.478162
  C      -4.294002      5.598086      4.528662
  C      -3.815851      5.764112      3.095038
  O      -4.875834      5.479719      2.147898
  C      -5.919955      6.332564      2.040883
  C      -5.978019      7.623899      2.534547
  C      -7.146786      8.386427      2.307576
  N      -8.219184      7.969019      1.654322
  C      -8.175516      6.695325      1.163326
  C      -9.287987      6.179751      0.453180
  C      -9.236072      4.894959     -0.043324
  C      -8.078155      4.118214      0.184490
  N      -7.020257      4.549775      0.857179
  C      -7.054645      5.825006      1.329573
  C      -6.449963      2.233056      6.458552
  C      -7.132817      3.605027      6.323279
  C      -8.469200      3.540586      5.609668
  O      -8.230783      2.948992      4.308787
  C      -9.289885      2.736054      3.506113
  C     -10.554821      3.275979      3.679012
  C     -11.564200      2.976049      2.738552
  N     -11.418463      2.182767      1.689383
  C     -10.187288      1.618598      1.520606
  C      -9.980580      0.733301      0.434282
  C      -8.744351      0.147303      0.260452
  C      -7.709750      0.462218      1.162940
  N      -7.854514      1.296607      2.187811
  C      -9.075881      1.867610      2.386238
  H      -3.929520     -1.563488      4.854050
  H      -4.628014     -0.306002      3.830912
  H      -1.729114     -1.145089      3.386552
  H      -3.035364     -2.162280      2.762173
  H      -2.154795     -0.516795      1.077780
  H      -2.771028      0.824086      2.093912
  H      -4.758840     -2.322561     -0.460653
  H      -5.078770     -1.952319     -2.916134
  H      -4.422381      2.517913     -3.730224
  H      -3.984772      4.524566     -2.250640
  H      -3.891518      4.195592      0.219862
  H      -2.355644      5.984730      5.381699
  H      -3.540677      5.326032      6.516669
  H      -4.788361      6.507972      4.896616
  H      -5.040678      4.790962      4.536008
  H      -3.054227      5.007649      2.866135
  H      -3.395028      6.762097      2.896503
  H      -5.149469      8.067194      3.084595
  H      -7.185428      9.408721      2.697144
  H     -10.159041      6.822570      0.316649
  H     -10.073248      4.466962     -0.595682
  H      -8.023556      3.096416     -0.201908
  H      -6.906850      1.666646      7.291054
  H      -6.630151      1.662583      5.539864
  H      -6.469862      4.271260      5.754003
  H      -7.288760      4.073753      7.307282
  H      -8.890666      4.550863      5.486886
  H      -9.202105      2.914370      6.146148
  H     -10.786770      3.932527      4.515562
  H     -12.553642      3.424393      2.872619
  H     -10.818272      0.537460     -0.236731
  H      -8.552616     -0.545422     -0.559348
  H      -6.718890      0.018840      1.043005
  N      -4.680811      2.419196      3.711626
  N      -5.403088      2.570105      2.545059
  H      -6.347421      2.043965      2.568700
  H      -4.839816      2.247929      1.671138
  H      -5.634873      3.565483      2.331417
103
Coordinates from ORCA-job orca E -6485.325746350238
  N      -3.052717      0.332067      5.077518
  Mo     -3.697172      2.201032      5.211062
  N      -5.007252      2.324414      6.659824
  C      -4.552535      2.520676      8.037327
  C      -3.295594      1.685654      8.247463
  N      -2.360342      1.938981      7.122151
  C      -1.457959      0.790332      6.856398
  C      -2.208073     -0.281227      6.097034
  C      -1.566705      3.180350      7.309417
  C      -1.302833      3.739280      5.915790
  N      -2.580693      3.907534      5.233203
  H      -1.478645     -0.980598      5.648068
  H      -2.835554     -0.889090      6.780247
  H      -0.633595      1.166703      6.236493
  H      -1.027857      0.402001      7.795904
  H      -0.755884      4.696127      5.979587
  H      -0.662399      3.045673      5.346895
  H      -2.174505      3.895787      7.879936
  H      -0.649968      2.970871      7.888225
  H      -5.328598      2.197624      8.752119
  H      -4.349272      3.587696      8.246512
  H      -3.569543      0.621925      8.222346
  H      -2.809467      1.898021      9.215300
  C      -3.680704     -0.686173      4.226063
  C      -2.780184     -1.126646      3.059867
  C      -2.896198     -0.232025      1.842061
  O      -4.230364     -0.448450      1.280130
  C      -4.360479     -0.248697     -0.063945
  C      -4.652058     -1.322500     -0.887404
  C      -4.820610     -1.107443     -2.271473
  N      -4.704138      0.070486     -2.867908
  C      -4.436883      1.143071     -2.069794
  C      -4.318773      2.427866     -2.655146
  C      -4.097604      3.522741     -1.844085
  C      -4.022887      3.339341     -0.450612
  N      -4.107909      2.149850      0.143209
  C      -4.283388      1.049460     -0.647229
  C      -3.158776      5.231657      5.481727
  C      -4.289112      5.601085      4.529286
  C      -3.807587      5.757235      3.095849
  O      -4.869858      5.477283      2.150128
  C      -5.903291      6.341856      2.034429
  C      -5.944602      7.639338      2.513573
  C      -7.103030      8.414698      2.277258
  N      -8.180745      8.004065      1.628532
  C      -8.154134      6.723998      1.153274
  C      -9.273979      6.214750      0.450347
  C      -9.240772      4.922590     -0.028343
  C      -8.093350      4.133090      0.208367
  N      -7.028756      4.559263      0.873914
  C      -7.044974      5.840639      1.330233
  C      -6.450754      2.231969      6.458703
  C      -7.138849      3.600611      6.319334
  C      -8.478781      3.526333      5.613250
  O      -8.243230      2.930387      4.313850
  C      -9.303910      2.710613      3.515262
  C     -10.573282      3.237517      3.696123
  C     -11.583497      2.932781      2.758174
  N     -11.434759      2.145569      1.704852
  C     -10.199308      1.593153      1.528829
  C      -9.988929      0.714661      0.437620
  C      -8.747817      0.141727      0.255578
  C      -7.712371      0.462480      1.155146
  N      -7.860710      1.290422      2.184581
  C      -9.086573      1.848828      2.390778
  H      -3.930439     -1.563939      4.849732
  H      -4.629840     -0.305254      3.828678
  H      -1.728327     -1.135914      3.387315
  H      -3.030398     -2.156053      2.758732
  H      -2.152024     -0.505410      1.078846
  H      -2.773687      0.832238      2.096193
  H      -4.734768     -2.323455     -0.462680
  H      -5.046337     -1.959444     -2.920167
  H      -4.418777      2.514190     -3.737981
  H      -4.003796      4.526310     -2.259393
  H      -3.919559      4.201548      0.212274
  H      -2.352623      5.984905      5.387192
  H      -3.541627      5.327915      6.519294
  H      -4.779535      6.515314      4.891668
  H      -5.039789      4.797677      4.538794
  H      -3.052016      4.993526      2.870947
  H      -3.377927      6.750611      2.893272
  H      -5.110634      8.078166      3.058997
  H      -7.128067      9.442005      2.654596
  H     -10.136214      6.867641      0.305945
  H     -10.084593      4.498958     -0.573996
  H      -8.052234      3.106063     -0.165369
  H      -6.905851      1.666126      7.292630
  H      -6.629154      1.658244      5.541658
  H      -6.481521      4.265356      5.741950
  H      -7.290582      4.074661      7.301438
  H      -8.906519      4.533604      5.487479
  H      -9.205319      2.898495      6.156463
  H     -10.807947      3.888025      4.536547
  H     -12.576409      3.371475      2.897978
  H     -10.827644      0.513880     -0.230646
  H      -8.552904     -0.545208     -0.568338
  H      -6.718014      0.028776      1.028674
  N      -4.679887      2.419593      3.708985
  N      -5.410238      2.571101      2.546850
  H      -6.352845      2.043233      2.572994
  H      -4.850480      2.251917      1.670605
  H      -5.646244      3.566280      2.335726
103
Coordinates from ORCA-job orca E -6485.325772069077
  N      -3.057557      0.331329      5.080557
  Mo     -3.698988      2.201472      5.211837
  N      -5.008540      2.327926      6.660921
  C      -4.553342      2.524683      8.038116
  C      -3.298726      1.686094      8.249120
  N      -2.362375      1.937451      7.124255
  C      -1.461773      0.787629      6.858699
  C      -2.213583     -0.283008      6.099784
  C      -1.566906      3.177674      7.311875
  C      -1.304211      3.737892      5.918695
  N      -2.582337      3.907916      5.237348
  H      -1.485123     -0.983282      5.650650
  H      -2.841601     -0.889892      6.783386
  H      -0.637302      1.162879      6.238191
  H      -1.031694      0.399011      7.798119
  H      -0.756213      4.694127      5.982779
  H      -0.664970      3.044006      5.348639
  H      -2.172834      3.893079      7.884410
  H      -0.649562      2.966306      7.889036
  H      -5.330395      2.205582      8.753559
  H      -4.346084      3.591220      8.245505
  H      -3.575181      0.623027      8.223906
  H      -2.812540      1.897476      9.217169
  C      -3.681672     -0.686183      4.225358
  C      -2.778394     -1.120510      3.059106
  C      -2.895023     -0.222764      1.843686
  O      -4.228052     -0.440135      1.279103
  C      -4.352338     -0.246167     -0.066411
  C      -4.626733     -1.324757     -0.889313
  C      -4.788830     -1.114496     -2.275017
  N      -4.681214      0.063415     -2.873105
  C      -4.430394      1.140434     -2.075574
  C      -4.321933      2.425198     -2.662857
  C      -4.117425      3.523862     -1.852693
  C      -4.049281      3.343973     -0.458242
  N      -4.125360      2.154911      0.137356
  C      -4.284912      1.051430     -0.651926
  C      -3.158896      5.232568      5.485160
  C      -4.286008      5.603148      4.529724
  C      -3.801847      5.748852      3.096137
  O      -4.867109      5.474197      2.152273
  C      -5.889629      6.350611      2.028763
  C      -5.913720      7.653710      2.493688
  C      -7.061900      8.441668      2.249006
  N      -8.145426      8.037968      1.605594
  C      -8.136315      6.751984      1.145908
  C      -9.264187      6.249129      0.451413
  C      -9.250378      4.949954     -0.008909
  C      -8.113519      4.147850      0.236231
  N      -7.041235      4.568893      0.892739
  C      -7.038726      5.856102      1.332338
  C      -6.451570      2.230721      6.459728
  C      -7.142363      3.597082      6.313515
  C      -8.485220      3.514810      5.613916
  O      -8.252554      2.912645      4.316845
  C      -9.314404      2.689204      3.521002
  C     -10.586402      3.207940      3.707177
  C     -11.597301      2.900297      2.770924
  N     -11.447134      2.116683      1.715117
  C     -10.209003      1.571975      1.533986
  C      -9.996361      0.698113      0.439443
  C      -8.751701      0.135098      0.250893
  C      -7.715219      0.460659      1.147712
  N      -7.866137      1.283390      2.180787
  C      -9.095253      1.832075      2.393208
  H      -3.929105     -1.566570      4.846194
  H      -4.631645     -0.307342      3.828004
  H      -1.727016     -1.127917      3.388234
  H      -3.025324     -2.149671      2.754361
  H      -2.149128     -0.492350      1.080842
  H      -2.775718      0.841206      2.100818
  H      -4.701283     -2.325693     -0.463034
  H      -5.001538     -1.970196     -2.923253
  H      -4.415829      2.508185     -3.746513
  H      -4.031778      4.527589     -2.269370
  H      -3.958894      4.208400      0.203646
  H      -2.351294      5.984505      5.392338
  H      -3.544313      5.329766      6.521719
  H      -4.772217      6.521956      4.886277
  H      -5.041210      4.803896      4.541948
  H      -3.053313      4.977076      2.875167
  H      -3.362584      6.737021      2.888991
  H      -5.074063      8.087847      3.034162
  H      -7.073004      9.473526      2.614421
  H     -10.117412      6.912032      0.299352
  H     -10.101358      4.530637     -0.546778
  H      -8.086944      3.115363     -0.123171
  H      -6.906044      1.667605      7.295873
  H      -6.628877      1.652497      5.545239
  H      -6.488517      4.257878      5.727624
  H      -7.289820      4.078496      7.292668
  H      -8.917349      4.519632      5.484014
  H      -9.206908      2.887094      6.163712
  H     -10.822567      3.854343      4.550323
  H     -12.592147      3.333410      2.914293
  H     -10.836100      0.493311     -0.226314
  H      -8.554707     -0.547613     -0.576037
  H      -6.718172      0.034815      1.015568
  N      -4.678112      2.417776      3.706498
  N      -5.417008      2.570125      2.549279
  H      -6.357184      2.039886      2.577876
  H      -4.861568      2.254497      1.669774
  H      -5.656881      3.565317      2.342000
103
Coordinates from ORCA-job orca E -6485.325796664824
  N      -3.066151      0.330486      5.083195
  Mo     -3.701916      2.202855      5.211820
  N      -5.010342      2.334103      6.661745
  C      -4.553485      2.531400      8.038196
  C      -3.301834      1.688163      8.249593
  N      -2.364622      1.935806      7.124552
  C      -1.467635      0.783386      6.859337
  C      -2.223372     -0.285621      6.102176
  C      -1.565366      3.173799      7.311571
  C      -1.304089      3.734447      5.918455
  N      -2.582865      3.907899      5.239442
  H      -1.497370     -0.988414      5.653010
  H      -2.852502     -0.890022      6.786983
  H      -0.643029      1.155847      6.237249
  H      -1.037327      0.394564      7.798588
  H      -0.753675      4.689323      5.982165
  H      -0.667411      3.039245      5.347000
  H      -2.167818      3.890241      7.886456
  H      -0.647234      2.959277      7.886322
  H      -5.331228      2.217170      8.754992
  H      -4.341082      3.597338      8.243304
  H      -3.581951      0.626059      8.224926
  H      -2.814866      1.898469      9.217503
  C      -3.688519     -0.685731      4.225238
  C      -2.783492     -1.116953      3.059344
  C      -2.896491     -0.215054      1.846717
  O      -4.229103     -0.427065      1.278771
  C      -4.344846     -0.240028     -0.068653
  C      -4.602149     -1.323156     -0.890792
  C      -4.754882     -1.117777     -2.278467
  N      -4.654260      0.059771     -2.878383
  C      -4.420332      1.141149     -2.081566
  C      -4.319899      2.425588     -2.670974
  C      -4.132230      3.527841     -1.861701
  C      -4.072134      3.351555     -0.466288
  N      -4.140719      2.163120      0.131224
  C      -4.284720      1.056714     -0.656745
  C      -3.155362      5.234252      5.485684
  C      -4.279468      5.606900      4.527837
  C      -3.794304      5.741535      3.093560
  O      -4.863484      5.472159      2.152632
  C      -5.876842      6.358464      2.024192
  C      -5.885174      7.666351      2.475956
  C      -7.025052      8.464641      2.225722
  N      -8.114736      8.066461      1.589227
  C      -8.121811      6.775266      1.144279
  C      -9.257938      6.277382      0.459795
  C      -9.261404      4.972420      0.015933
  C      -8.133422      4.159901      0.267487
  N      -7.053471      4.576678      0.914224
  C      -7.033910      5.869134      1.337521
  C      -6.453116      2.231978      6.461474
  C      -7.147333      3.595648      6.307073
  C      -8.492710      3.504923      5.613527
  O      -8.262129      2.896220      4.319137
  C      -9.324559      2.668397      3.525524
  C     -10.599030      3.180126      3.714396
  C     -11.609833      2.867719      2.779581
  N     -11.457437      2.085764      1.722887
  C     -10.216471      1.548510      1.538655
  C     -10.000210      0.678399      0.441831
  C      -8.751867      0.125132      0.248815
  C      -7.715552      0.455977      1.144061
  N      -7.870300      1.274408      2.179868
  C      -9.102708      1.813997      2.396116
  H      -3.935345     -1.567678      4.844071
  H      -4.638623     -0.307437      3.827702
  H      -1.732816     -1.127100      3.390708
  H      -3.031240     -2.144708      2.750434
  H      -2.149656     -0.483626      1.084464
  H      -2.776005      0.847986      2.107382
  H      -4.670694     -2.323783     -0.462768
  H      -4.954068     -1.976989     -2.926355
  H      -4.406274      2.505209     -3.755516
  H      -4.053220      4.531527     -2.279799
  H      -3.994599      4.218068      0.194556
  H      -2.345359      5.983686      5.393635
  H      -3.542628      5.333670      6.521396
  H      -4.760229      6.530736      4.878876
  H      -5.040005      4.812737      4.543719
  H      -3.053467      4.961401      2.875995
  H      -3.345565      6.724279      2.881222
  H      -5.039527      8.096875      3.010004
  H      -7.023446      9.500420      2.580028
  H     -10.103476      6.948689      0.301785
  H     -10.119251      4.556402     -0.513547
  H      -8.120571      3.122483     -0.077859
  H      -6.906166      1.672737      7.300986
  H      -6.629839      1.647819      5.550564
  H      -6.496847      4.252044      5.712522
  H      -7.291137      4.085195      7.282712
  H      -8.929395      4.507148      5.479329
  H      -9.209691      2.877275      6.169560
  H     -10.837440      3.824219      4.558690
  H     -12.606739      3.295374      2.925157
  H     -10.840115      0.468953     -0.222278
  H      -8.551825     -0.554013     -0.580325
  H      -6.715721      0.037973      1.007983
  N      -4.676100      2.416579      3.702627
  N      -5.423077      2.571247      2.550322
  H      -6.360631      2.038015      2.580819
  H      -4.872008      2.259811      1.666519
  H      -5.666470      3.566717      2.348467
103
Coordinates from ORCA-job orca E -6485.325821354592
  N      -3.074624      0.328507      5.086072
  Mo     -3.705055      2.203229      5.211910
  N      -5.011683      2.339351      6.663288
  C      -4.552288      2.536744      8.038735
  C      -3.303204      1.689159      8.249513
  N      -2.365605      1.933481      7.123977
  C      -1.472105      0.778715      6.858853
  C      -2.232168     -0.288952      6.104348
  C      -1.563008      3.169632      7.309905
  C      -1.304655      3.731202      5.916664
  N      -2.584914      3.907640      5.241341
  H      -1.508933     -0.994281      5.654727
  H      -2.861679     -0.890902      6.790994
  H      -0.647840      1.148337      6.234549
  H      -1.040856      0.390066      7.797769
  H      -0.752218      4.684962      5.979725
  H      -0.670698      3.035133      5.343131
  H      -2.161670      3.886688      7.887953
  H      -0.643397      2.952242      7.881231
  H      -5.330072      2.226905      8.757355
  H      -4.334929      3.602054      8.241828
  H      -3.586826      0.627988      8.225072
  H      -2.815121      1.898059      9.217184
  C      -3.695752     -0.686922      4.226327
  C      -2.789784     -1.115915      3.060487
  C      -2.897894     -0.209283      1.850991
  O      -4.230404     -0.413588      1.279479
  C      -4.336301     -0.235679     -0.070206
  C      -4.573874     -1.324547     -0.890287
  C      -4.714560     -1.125951     -2.280446
  N      -4.620893      0.050317     -2.883770
  C      -4.406708      1.137305     -2.089031
  C      -4.314244      2.420550     -2.682295
  C      -4.145778      3.527496     -1.875322
  C      -4.095998      3.356807     -0.478691
  N      -4.157251      2.169857      0.122308
  C      -4.283712      1.059417     -0.662785
  C      -3.153850      5.235430      5.486255
  C      -4.276146      5.609444      4.526811
  C      -3.790987      5.735766      3.091801
  O      -4.863456      5.471665      2.153002
  C      -5.870790      6.364780      2.023602
  C      -5.867160      7.675677      2.466450
  C      -7.001812      8.481083      2.214961
  N      -8.097024      8.087098      1.585297
  C      -8.116400      6.792647      1.150247
  C      -9.259577      6.298657      0.474676
  C      -9.275987      4.990073      0.041906
  C      -8.153995      4.170204      0.296068
  N      -7.067561      4.583527      0.934237
  C      -7.034951      5.879450      1.345911
  C      -6.454399      2.234973      6.464166
  C      -7.149084      3.597322      6.300267
  C      -8.495751      3.501664      5.610235
  O      -8.266829      2.886268      4.318659
  C      -9.329669      2.656449      3.526377
  C     -10.605150      3.165337      3.716385
  C     -11.616301      2.849729      2.783016
  N     -11.463225      2.068077      1.726239
  C     -10.220785      1.534853      1.539974
  C     -10.002778      0.667062      0.441686
  C      -8.752451      0.119380      0.245690
  C      -7.715957      0.453001      1.139855
  N      -7.872675      1.268487      2.177644
  C      -9.106842      1.803001      2.396344
  H      -3.941538     -1.570044      4.843912
  H      -4.646223     -0.309431      3.828981
  H      -1.739819     -1.130654      3.393973
  H      -3.040016     -2.141750      2.747102
  H      -2.150484     -0.477679      1.089258
  H      -2.774621      0.852551      2.115510
  H      -4.636254     -2.324336     -0.459340
  H      -4.897804     -1.989633     -2.927085
  H      -4.391064      2.495339     -3.767907
  H      -4.073341      4.530499     -2.296273
  H      -4.032841      4.226153      0.180025
  H      -2.342073      5.982947      5.394671
  H      -3.542503      5.336700      6.521331
  H      -4.752780      6.536989      4.873887
  H      -5.040917      4.819329      4.545994
  H      -3.056873      4.948665      2.876538
  H      -3.334287      6.713980      2.875669
  H      -5.016211      8.103530      2.994269
  H      -6.990654      9.519246      2.562013
  H     -10.099918      6.975916      0.314283
  H     -10.139418      4.576506     -0.480383
  H      -8.152271      3.129341     -0.038602
  H      -6.906935      1.681324      7.307633
  H      -6.631632      1.644374      5.557388
  H      -6.499080      4.247824      5.698622
  H      -7.290226      4.095164      7.272082
  H      -8.934027      4.502540      5.471621
  H      -9.210778      2.875868      6.170885
  H     -10.844354      3.808786      4.560970
  H     -12.614211      3.274578      2.930119
  H     -10.842951      0.454961     -0.221249
  H      -8.550916     -0.557588     -0.584875
  H      -6.714552      0.039630      1.001092
  N      -4.672416      2.411517      3.697620
  N      -5.425838      2.570271      2.549581
  H      -6.361188      2.034781      2.581779
  H      -4.879172      2.262920      1.661216
  H      -5.671374      3.566429      2.354132
103
Coordinates from ORCA-job orca E -6485.325843691587
  N      -3.087493      0.326361      5.087448
  Mo     -3.708840      2.204699      5.209834
  N      -5.012660      2.348817      6.663368
  C      -4.549207      2.547627      8.037178
  C      -3.303514      1.694603      8.247354
  N      -2.366439      1.932134      7.119835
  C      -1.479144      0.772671      6.855554
  C      -2.246669     -0.292974      6.105914
  C      -1.557597      3.164812      7.302418
  C      -1.301756      3.724869      5.908088
  N      -2.583747      3.906017      5.237491
  H      -1.528444     -1.003671      5.656757
  H      -2.877987     -0.889577      6.795601
  H      -0.654976      1.136751      6.227779
  H      -1.046952      0.384561      7.794275
  H      -0.745504      4.676559      5.969139
  H      -0.672261      3.026250      5.332711
  H      -2.150608      3.884751      7.882675
  H      -0.636794      2.943260      7.870224
  H      -5.326515      2.243456      8.758720
  H      -4.325982      3.612350      8.236862
  H      -3.592288      0.634765      8.225497
  H      -2.812934      1.903102      9.213852
  C      -3.711710     -0.687548      4.228235
  C      -2.806099     -1.121280      3.064004
  C      -2.902974     -0.210998      1.856329
  O      -4.235148     -0.401581      1.278950
  C      -4.327979     -0.229057     -0.072709
  C      -4.547778     -1.320389     -0.894012
  C      -4.674300     -1.123770     -2.286080
  N      -4.584827      0.052862     -2.889095
  C      -4.388658      1.142387     -2.093080
  C      -4.301474      2.426144     -2.685994
  C      -4.149080      3.534553     -1.877786
  C      -4.108894      3.364500     -0.480736
  N      -4.165968      2.177244      0.119761
  C      -4.278716      1.065897     -0.665820
  C      -3.146203      5.236566      5.480798
  C      -4.269315      5.612460      4.522939
  C      -3.787820      5.731214      3.086177
  O      -4.864620      5.471390      2.151332
  C      -5.868312      6.368792      2.024076
  C      -5.855708      7.681802      2.460209
  C      -6.987365      8.491748      2.209431
  N      -8.087109      8.100338      1.586062
  C      -8.115569      6.803613      1.158314
  C      -9.263764      6.312022      0.489444
  C      -9.288068      5.001486      0.062913
  C      -8.169746      4.176982      0.318480
  N      -7.079397      4.587488      0.951860
  C      -7.038442      5.885878      1.354904
  C      -6.455655      2.242288      6.467415
  C      -7.152200      3.602579      6.294520
  C      -8.499838      3.500618      5.607719
  O      -8.271401      2.879686      4.318707
  C      -9.334541      2.644671      3.528584
  C     -10.611355      3.150244      3.718393
  C     -11.622466      2.829044      2.786802
  N     -11.467528      2.047164      1.730519
  C     -10.223179      1.518417      1.543595
  C     -10.002106      0.652759      0.444314
  C      -8.749883      0.109556      0.247703
  C      -7.714700      0.445034      1.142683
  N      -7.874242      1.258935      2.181356
  C      -9.109955      1.789882      2.399876
  H      -3.961053     -1.569179      4.846582
  H      -4.660524     -0.307248      3.829787
  H      -1.757273     -1.146058      3.400506
  H      -3.064235     -2.144234      2.747553
  H      -2.154962     -0.483571      1.096676
  H      -2.772304      0.849256      2.123975
  H      -4.607549     -2.320363     -0.463144
  H      -4.842623     -1.989422     -2.934187
  H      -4.369052      2.500078     -3.772274
  H      -4.080717      4.538077     -2.298195
  H      -4.056728      4.234129      0.178683
  H      -2.331960      5.980965      5.386251
  H      -3.532837      5.341429      6.516325
  H      -4.740550      6.543583      4.867946
  H      -5.038042      4.826304      4.547534
  H      -3.059750      4.938487      2.871143
  H      -3.325325      6.705844      2.866140
  H      -4.999949      8.107978      2.981614
  H      -6.969314      9.531618      2.551021
  H     -10.100979      6.992966      0.328225
  H     -10.154811      4.589605     -0.455178
  H      -8.175387      3.134263     -0.010221
  H      -6.906038      1.694502      7.315814
  H      -6.634313      1.644659      5.565387
  H      -6.503831      4.248642      5.686253
  H      -7.291744      4.107980      7.262648
  H      -8.940617      4.499872      5.465371
  H      -9.212644      2.875792      6.172293
  H     -10.852088      3.794919      4.561642
  H     -12.621916      3.249934      2.935075
  H     -10.841503      0.438509     -0.218919
  H      -8.546033     -0.565647     -0.583742
  H      -6.712009      0.034668      1.004192
  N      -4.669599      2.407333      3.691048
  N      -5.430089      2.570117      2.547932
  H      -6.363384      2.032186      2.582485
  H      -4.887247      2.266227      1.655253
  H      -5.678464      3.566461      2.357927
103
Coordinates from ORCA-job orca E -6485.325860667580
  N      -3.093443      0.325183      5.086734
  Mo     -3.710080      2.205534      5.207845
  N      -5.012281      2.353998      6.662719
  C      -4.546408      2.552419      8.035828
  C      -3.302165      1.697131      8.244946
  N      -2.365659      1.931642      7.116312
  C      -1.481718      0.769685      6.852380
  C      -2.253519     -0.294934      6.105569
  C      -1.553801      3.162603      7.296966
  C      -1.299657      3.721967      5.901887
  N      -2.582919      3.905399      5.234392
  H      -1.538230     -1.008789      5.656766
  H      -2.885862     -0.888422      6.797019
  H      -0.657502      1.130631      6.222830
  H      -1.049145      0.381808      7.791036
  H      -0.741504      4.672643      5.961761
  H      -0.672635      3.022185      5.325259
  H      -2.143878      3.884023      7.878361
  H      -0.632235      2.939144      7.862792
  H      -5.323138      2.249850      8.758702
  H      -4.321017      3.616799      8.234847
  H      -3.593511      0.637968      8.223945
  H      -2.810180      1.904925      9.210879
  C      -3.720979     -0.688202      4.229368
  C      -2.816701     -1.128241      3.066510
  C      -2.905257     -0.217594      1.858459
  O      -4.237501     -0.398976      1.277988
  C      -4.323921     -0.229826     -0.074703
  C      -4.535122     -1.323089     -0.895465
  C      -4.653237     -1.128946     -2.288743
  N      -4.563800      0.046819     -2.893116
  C      -4.376094      1.138358     -2.097833
  C      -4.288623      2.421259     -2.692401
  C      -4.142909      3.531309     -1.885279
  C      -4.109584      3.363689     -0.487747
  N      -4.167840      2.177266      0.114277
  C      -4.274569      1.064343     -0.669839
  C      -3.142695      5.236900      5.478296
  C      -4.268807      5.612711      4.523303
  C      -3.790732      5.734241      3.085580
  O      -4.868131      5.474456      2.151122
  C      -5.876567      6.367666      2.031088
  C      -5.867902      7.678894      2.472627
  C      -7.003949      8.485008      2.229565
  N      -8.103996      8.091873      1.607924
  C      -8.128449      6.797260      1.173701
  C      -9.276065      6.304477      0.504474
  C      -9.295257      4.996520      0.069827
  C      -8.173047      4.175322      0.318865
  N      -7.083740      4.586347      0.953565
  C      -7.047122      5.883017      1.363085
  C      -6.455840      2.249865      6.468879
  C      -7.150946      3.610681      6.293741
  C      -8.497333      3.509980      5.604484
  O      -8.267743      2.889106      4.315632
  C      -9.330809      2.652786      3.525741
  C     -10.607170      3.160118      3.714046
  C     -11.618490      2.837745      2.783099
  N     -11.463756      2.054398      1.727897
  C     -10.219773      1.524305      1.542223
  C      -9.999175      0.657056      0.444172
  C      -8.747896      0.110864      0.249778
  C      -7.713151      0.445045      1.145639
  N      -7.871936      1.261176      2.182834
  C      -9.106754      1.795240      2.399060
  H      -3.973833     -1.567547      4.849622
  H      -4.668136     -0.305179      3.829769
  H      -1.768585     -1.160423      3.404573
  H      -3.081583     -2.149456      2.749973
  H      -2.157379     -0.495167      1.100477
  H      -2.768312      0.841859      2.126284
  H      -4.594861     -2.322639     -0.463597
  H      -4.814332     -1.996176     -2.936555
  H      -4.350253      2.493391     -3.779155
  H      -4.074221      4.534208     -2.307152
  H      -4.061840      4.234257      0.170769
  H      -2.328127      5.980542      5.380888
  H      -3.526382      5.342948      6.514813
  H      -4.740529      6.542530      4.871092
  H      -5.036395      4.825496      4.549175
  H      -3.061917      4.942851      2.868283
  H      -3.330082      6.710069      2.866654
  H      -5.011718      8.106304      2.992315
  H      -6.989261      9.523289      2.576105
  H     -10.116689      6.982669      0.349437
  H     -10.160737      4.583827     -0.449707
  H      -8.175678      3.134525     -0.016008
  H      -6.905569      1.704825      7.319360
  H      -6.636573      1.650153      5.568557
  H      -6.500810      4.255945      5.686548
  H      -7.292135      4.116687      7.261322
  H      -8.936469      4.509965      5.461853
  H      -9.212155      2.886163      6.167604
  H     -10.847414      3.807180      4.555604
  H     -12.617843      3.258990      2.931072
  H     -10.838156      0.443670     -0.219864
  H      -8.544573     -0.565876     -0.580536
  H      -6.711185      0.031969      1.009723
  N      -4.665060      2.405556      3.686087
  N      -5.426792      2.569309      2.544120
  H      -6.360483      2.031743      2.580898
  H      -4.884831      2.265610      1.649873
  H      -5.675096      3.565783      2.355313
103
Coordinates from ORCA-job orca E -6485.325884061762
  N      -3.105001      0.323452      5.085094
  Mo     -3.712304      2.207278      5.202849
  N      -5.012866      2.365178      6.658869
  C      -4.544558      2.564737      8.031137
  C      -3.304296      1.704090      8.241163
  N      -2.367556      1.931397      7.111345
  C      -1.490164      0.764126      6.849455
  C      -2.268861     -0.298273      6.106243
  C      -1.549544      3.158579      7.289149
  C      -1.295465      3.715563      5.893025
  N      -2.579291      3.903362      5.228199
  H      -1.558322     -1.018147      5.659541
  H      -2.904816     -0.885485      6.799731
  H      -0.664543      1.118943      6.218216
  H      -1.058892      0.376201      7.788714
  H      -0.733393      4.664077      5.951208
  H      -0.672265      3.012962      5.315697
  H      -2.135137      3.883493      7.870718
  H      -0.628046      2.931473      7.853648
  H      -5.321743      2.267190      8.755649
  H      -4.314260      3.628504      8.227448
  H      -3.601247      0.646412      8.222709
  H      -2.810553      1.911359      9.206308
  C      -3.736422     -0.688231      4.228735
  C      -2.831937     -1.136414      3.069184
  C      -2.908674     -0.226252      1.859910
  O      -4.239436     -0.397383      1.272749
  C      -4.314662     -0.230330     -0.081074
  C      -4.509044     -1.325049     -0.903744
  C      -4.614757     -1.131631     -2.298317
  N      -4.528901      0.044685     -2.901770
  C      -4.357371      1.137687     -2.104767
  C      -4.273991      2.421202     -2.698419
  C      -4.142635      3.532126     -1.890077
  C      -4.119046      3.364468     -0.492325
  N      -4.174693      2.177555      0.108727
  C      -4.268463      1.064087     -0.675960
  C      -3.133954      5.236952      5.472242
  C      -4.264453      5.613091      4.522117
  C      -3.791487      5.734075      3.082849
  O      -4.871836      5.477453      2.151160
  C      -5.881279      6.370401      2.038722
  C      -5.870191      7.681090      2.481980
  C      -7.007522      8.487512      2.246208
  N      -8.110465      8.095524      1.629026
  C      -8.136979      6.801888      1.192129
  C      -9.286557      6.310642      0.525009
  C      -9.306222      5.004021      0.086228
  C      -8.183080      4.182296      0.329933
  N      -7.092601      4.591278      0.963772
  C      -7.055210      5.887165      1.375790
  C      -6.456878      2.262207      6.468074
  C      -7.152364      3.622404      6.290446
  C      -8.497861      3.519115      5.600039
  O      -8.266242      2.896612      4.312420
  C      -9.329231      2.653079      3.524675
  C     -10.606409      3.158669      3.711681
  C     -11.617602      2.830920      2.782476
  N     -11.461373      2.044940      1.729413
  C     -10.216641      1.515828      1.545728
  C      -9.994773      0.645674      0.450299
  C      -8.743295      0.098633      0.259119
  C      -7.709776      0.434684      1.155525
  N      -7.869322      1.254886      2.189631
  C      -9.104179      1.790396      2.402265
  H      -3.996048     -1.564630      4.850435
  H      -4.680264     -0.300423      3.826100
  H      -1.785233     -1.176625      3.410768
  H      -3.103854     -2.155838      2.752840
  H      -2.159324     -0.509880      1.105631
  H      -2.765439      0.832446      2.127881
  H      -4.565971     -2.325116     -0.472695
  H      -4.762604     -2.000091     -2.947623
  H      -4.327105      2.493299     -3.785626
  H      -4.077586      4.535496     -2.311375
  H      -4.081642      4.234920      0.167035
  H      -2.318151      5.978445      5.368884
  H      -3.512070      5.346258      6.510470
  H      -4.734608      6.542895      4.871995
  H      -5.031664      4.825685      4.551868
  H      -3.065049      4.941289      2.862785
  H      -3.329488      6.709299      2.863709
  H      -5.010699      8.107357      2.997094
  H      -6.991304      9.525135      2.594671
  H     -10.128107      6.988853      0.375143
  H     -10.172454      4.592566     -0.433017
  H      -8.186771      3.142945     -0.009587
  H      -6.904991      1.719860      7.321124
  H      -6.639719      1.659734      5.569903
  H      -6.502722      4.267974      5.683084
  H      -7.295257      4.129455      7.257232
  H      -8.937502      4.518685      5.455433
  H      -9.213080      2.896001      6.163393
  H     -10.847059      3.809516      4.550190
  H     -12.617867      3.250253      2.929689
  H     -10.832767      0.430540     -0.214405
  H      -8.539214     -0.580530     -0.569007
  H      -6.707846      0.019910      1.023835
  N      -4.658213      2.405781      3.676401
  N      -5.427709      2.568684      2.539430
  H      -6.360640      2.029827      2.581748
  H      -4.888508      2.265881      1.642756
  H      -5.680385      3.564193      2.350974
103
Coordinates from ORCA-job orca E -6485.325907359518
  N      -3.116122      0.321738      5.083496
  Mo     -3.714304      2.208894      5.198174
  N      -5.013266      2.376572      6.655101
  C      -4.543258      2.576162      8.026978
  C      -3.307141      1.709679      8.237912
  N      -2.369739      1.930412      7.107491
  C      -1.498692      0.758183      6.846958
  C      -2.283641     -0.301769      6.106541
  C      -1.546075      3.153983      7.283321
  C      -1.292159      3.709673      5.886555
  N      -2.576089      3.901533      5.223289
  H      -1.577319     -1.027014      5.661858
  H      -2.923031     -0.883184      6.801751
  H      -0.671666      1.107499      6.214430
  H      -1.068827      0.369537      7.786603
  H      -0.726500      4.656163      5.943509
  H      -0.672324      3.004540      5.308609
  H      -2.127517      3.881756      7.865491
  H      -0.624633      2.923352      7.846505
  H      -5.321456      2.283216      8.752308
  H      -4.308239      3.639151      8.221531
  H      -3.609667      0.653545      8.221204
  H      -2.811999      1.915745      9.202614
  C      -3.751076     -0.687659      4.227276
  C      -2.846451     -1.144017      3.071043
  C      -2.910833     -0.234582      1.860391
  O      -4.240017     -0.394916      1.266423
  C      -4.305639     -0.228447     -0.088075
  C      -4.488322     -1.323668     -0.912542
  C      -4.584639     -1.130412     -2.307976
  N      -4.500013      0.046306     -2.910490
  C      -4.339144      1.139807     -2.111934
  C      -4.257615      2.423827     -2.704640
  C      -4.136602      3.535149     -1.895438
  C      -4.120831      3.367110     -0.497469
  N      -4.175118      2.179829      0.102494
  C      -4.259877      1.066204     -0.682570
  C      -3.126454      5.236864      5.466826
  C      -4.260168      5.612632      4.520033
  C      -3.790375      5.735060      3.079884
  O      -4.871926      5.478617      2.149242
  C      -5.885057      6.368450      2.043892
  C      -5.876616      7.677134      2.493466
  C      -7.017725      8.480771      2.267138
  N      -8.122019      8.088169      1.652820
  C      -8.145516      6.797182      1.208255
  C      -9.295798      6.306228      0.541987
  C      -9.312512      5.002383      0.094938
  C      -8.185744      4.182993      0.329388
  N      -7.094747      4.591634      0.962227
  C      -7.059909      5.884973      1.382711
  C      -6.457849      2.275866      6.466690
  C      -7.152800      3.636353      6.289297
  C      -8.497426      3.532817      5.596783
  O      -8.264551      2.909521      4.309785
  C      -9.328026      2.658564      3.524710
  C     -10.606353      3.161289      3.711992
  C     -11.618115      2.827488      2.785706
  N     -11.461492      2.037317      1.735772
  C     -10.216060      1.509706      1.552942
  C      -9.994435      0.633981      0.461879
  C      -8.742438      0.087552      0.272061
  C      -7.708242      0.429870      1.165134
  N      -7.867416      1.255951      2.194746
  C      -9.102753      1.790820      2.406324
  H      -4.018182     -1.561270      4.849785
  H      -4.691159     -0.294384      3.821198
  H      -1.801213     -1.192169      3.416099
  H      -3.125514     -2.161597      2.754936
  H      -2.160122     -0.524805      1.110001
  H      -2.760921      0.823310      2.128340
  H      -4.544292     -2.324159     -0.482338
  H      -4.724095     -1.999399     -2.958381
  H      -4.304101      2.496176     -3.792149
  H      -4.073992      4.538815     -2.316376
  H      -4.090699      4.237282      0.162708
  H      -2.309324      5.976182      5.357801
  H      -3.499763      5.350032      6.506364
  H      -4.730812      6.541292      4.871988
  H      -5.025780      4.823743      4.551387
  H      -3.063552      4.943194      2.857842
  H      -3.329519      6.710956      2.861079
  H      -5.016024      8.103505      3.006602
  H      -7.003751      9.516548      2.621180
  H     -10.140323      6.982381      0.399828
  H     -10.179034      4.591157     -0.424007
  H      -8.187185      3.146061     -0.017494
  H      -6.905301      1.734563      7.320765
  H      -6.642848      1.672858      5.569245
  H      -6.503119      4.283494      5.683818
  H      -7.297667      4.142149      7.256447
  H      -8.936575      4.532448      5.450714
  H      -9.213632      2.910594      6.159822
  H     -10.846964      3.815584      4.547779
  H     -12.619055      3.245340      2.932200
  H     -10.832857      0.414164     -0.200738
  H      -8.538649     -0.595817     -0.552668
  H      -6.705706      0.015718      1.035179
  N      -4.651009      2.407141      3.667298
  N      -5.426072      2.568804      2.533653
  H      -6.360253      2.031943      2.581503
  H      -4.889738      2.264231      1.636514
  H      -5.678684      3.564325      2.343816
103
Coordinates from ORCA-job orca E -6485.325946758840
  N      -3.134684      0.320167      5.080458
  Mo     -3.717241      2.212935      5.189596
  N      -5.014374      2.396216      6.647445
  C      -4.542747      2.595612      8.018955
  C      -3.314553      1.717865      8.232370
  N      -2.374766      1.928170      7.102255
  C      -1.514093      0.748382      6.843373
  C      -2.308737     -0.306767      6.106424
  C      -1.541744      3.145452      7.277064
  C      -1.287776      3.701632      5.880600
  N      -2.571207      3.900757      5.219158
  H      -1.608987     -1.040396      5.665138
  H      -2.953995     -0.878924      6.803931
  H      -0.684867      1.089535      6.209117
  H      -1.086555      0.357725      7.783326
  H      -0.716736      4.644939      5.937568
  H      -0.672674      2.993608      5.300863
  H      -2.116271      3.876672      7.861807
  H      -0.620494      2.907858      7.837684
  H      -5.323570      2.311898      8.745135
  H      -4.298209      3.656881      8.210276
  H      -3.626900      0.664562      8.217582
  H      -2.818012      1.921162      9.196981
  C      -3.772616     -0.685918      4.223037
  C      -2.866006     -1.150540      3.071859
  C      -2.914500     -0.242036      1.859799
  O      -4.240211     -0.390379      1.254637
  C      -4.287070     -0.231573     -0.101656
  C      -4.435901     -1.332099     -0.925341
  C      -4.512354     -1.145140     -2.323200
  N      -4.438357      0.030889     -2.928055
  C      -4.309198      1.129374     -2.130429
  C      -4.238976      2.412703     -2.725935
  C      -4.148223      3.528251     -1.918989
  C      -4.150382      3.364517     -0.520020
  N      -4.195088      2.178573      0.082240
  C      -4.251890      1.061593     -0.699799
  C      -3.114503      5.238605      5.462355
  C      -4.252202      5.615072      4.521071
  C      -3.786939      5.737176      3.079824
  O      -4.872372      5.484883      2.152836
  C      -5.885578      6.375535      2.056867
  C      -5.873612      7.682740      2.511168
  C      -7.015836      8.487671      2.296140
  N      -8.124489      8.097751      1.687853
  C      -8.150694      6.808861      1.237575
  C      -9.305064      6.321515      0.575864
  C      -9.325267      5.019591      0.123573
  C      -8.197534      4.198429      0.347617
  N      -7.102406      4.604189      0.974982
  C      -7.064277      5.895369      1.401539
  C      -6.459157      2.294841      6.461741
  C      -7.156420      3.654171      6.285242
  C      -8.500753      3.546482      5.592208
  O      -8.265963      2.920694      4.306775
  C      -9.329723      2.658417      3.525562
  C     -10.609945      3.156340      3.712763
  C     -11.621797      2.813508      2.790060
  N     -11.463642      2.017506      1.744630
  C     -10.216720      1.493051      1.563358
  C      -9.993828      0.610334      0.478126
  C      -8.740110      0.067122      0.289925
  C      -7.705548      0.419310      1.178616
  N      -7.866124      1.252104      2.202706
  C      -9.102945      1.784066      2.412778
  H      -4.048926     -1.556792      4.845438
  H      -4.708036     -0.286673      3.812061
  H      -1.823059     -1.207236      3.422614
  H      -3.151999     -2.166003      2.755037
  H      -2.160502     -0.539434      1.115572
  H      -2.758613      0.815106      2.128142
  H      -4.481829     -2.332174     -0.492958
  H      -4.626381     -2.018602     -2.972589
  H      -4.269469      2.481110     -3.814297
  H      -4.095784      4.531372     -2.342514
  H      -4.142532      4.236698      0.138221
  H      -2.294980      5.974246      5.345132
  H      -3.480485      5.357428      6.503897
  H      -4.721950      6.543391      4.874801
  H      -5.017090      4.825598      4.555191
  H      -3.063070      4.943569      2.854487
  H      -3.323827      6.711929      2.860525
  H      -5.009058      8.106519      3.019735
  H      -6.999239      9.522051      2.654149
  H     -10.149988      6.998745      0.441563
  H     -10.195153      4.611077     -0.391888
  H      -8.201516      3.163170     -0.004165
  H      -6.905149      1.753234      7.316440
  H      -6.645754      1.691289      5.564854
  H      -6.509290      4.304546      5.680669
  H      -7.303243      4.158684      7.252756
  H      -8.942139      4.544696      5.443078
  H      -9.215679      2.924209      6.156768
  H     -10.851162      3.815080      4.544841
  H     -12.623921      3.229081      2.934641
  H     -10.832503      0.382696     -0.181509
  H      -8.535603     -0.621399     -0.530327
  H      -6.701404      0.008002      1.050682
  N      -4.636361      2.408340      3.648785
  N      -5.427320      2.571602      2.524842
  H      -6.361668      2.035841      2.582212
  H      -4.899208      2.266853      1.624327
  H      -5.682543      3.567134      2.336865
103
Coordinates from ORCA-job orca E -6485.325973520652
  N      -3.143537      0.318274      5.079181
  Mo     -3.716820      2.213977      5.185501
  N      -5.014223      2.406091      6.642496
  C      -4.543359      2.605270      8.014375
  C      -3.319878      1.721631      8.230670
  N      -2.377855      1.926150      7.101395
  C      -1.522989      0.742024      6.843639
  C      -2.322228     -0.310610      6.107612
  C      -1.539531      3.139845      7.276026
  C      -1.283795      3.695935      5.880007
  N      -2.565834      3.898940      5.217384
  H      -1.625242     -1.048717      5.669438
  H      -2.971417     -0.877577      6.805798
  H      -0.692372      1.078870      6.208811
  H      -1.097063      0.350003      7.783815
  H      -0.709797      4.637419      5.937509
  H      -0.670519      2.986054      5.300395
  H      -2.110691      3.873113      7.861572
  H      -0.619004      2.898380      7.836164
  H      -5.326724      2.327229      8.739974
  H      -4.293246      3.665471      8.203919
  H      -3.637251      0.669837      8.217208
  H      -2.823388      1.924051      9.195526
  C      -3.783868     -0.685052      4.220560
  C      -2.876943     -1.155547      3.072032
  C      -2.915575     -0.247545      1.859128
  O      -4.239576     -0.387595      1.247851
  C      -4.278267     -0.229116     -0.108855
  C      -4.415921     -1.329880     -0.933929
  C      -4.485861     -1.143006     -2.332284
  N      -4.415765      0.033732     -2.936077
  C      -4.296434      1.132336     -2.137150
  C      -4.229893      2.416296     -2.731813
  C      -4.147496      3.531869     -1.924361
  C      -4.153793      3.367253     -0.525150
  N      -4.196010      2.181176      0.076107
  C      -4.245631      1.064435     -0.706284
  C      -3.105133      5.238593      5.457806
  C      -4.245434      5.614255      4.519123
  C      -3.784547      5.737361      3.076078
  O      -4.872567      5.483596      2.151736
  C      -5.887265      6.373038      2.058202
  C      -5.876921      7.678971      2.516399
  C      -7.021475      8.482077      2.307725
  N      -8.131802      8.091108      1.702974
  C      -8.156156      6.803633      1.248418
  C      -9.312684      6.315514      0.591077
  C      -9.332203      5.015080      0.134624
  C      -8.200669      4.196561      0.348493
  N      -7.102778      4.603539      0.970174
  C      -7.066185      5.892499      1.403633
  C      -6.458866      2.305972      6.456296
  C      -7.156582      3.665643      6.283606
  C      -8.501400      3.557287      5.591053
  O      -8.266657      2.930493      4.306083
  C      -9.330751      2.663015      3.527032
  C     -10.611916      3.158761      3.713718
  C     -11.623788      2.810341      2.793144
  N     -11.464987      2.010017      1.751038
  C     -10.217236      1.487286      1.570859
  C      -9.993525      0.599597      0.489802
  C      -8.738760      0.058488      0.302643
  C      -7.703637      0.417899      1.187888
  N      -7.865299      1.255129      2.208122
  C      -9.103212      1.784725      2.417575
  H      -4.066990     -1.554041      4.842579
  H      -4.715963     -0.281104      3.806523
  H      -1.835247     -1.218485      3.425485
  H      -3.168274     -2.169397      2.754808
  H      -2.160143     -0.549925      1.118358
  H      -2.755087      0.808923      2.127544
  H      -4.458713     -2.330340     -0.502033
  H      -4.592034     -2.016827     -2.982475
  H      -4.255759      2.484852     -3.820306
  H      -4.097908      4.535322     -2.347448
  H      -4.150404      4.239229      0.133574
  H      -2.284099      5.971800      5.334488
  H      -3.466239      5.362755      6.500479
  H      -4.715260      6.542046      4.873917
  H      -5.009327      4.823822      4.554611
  H      -3.059936      4.945190      2.848093
  H      -3.323688      6.712831      2.855190
  H      -5.012015      8.102959      3.024178
  H      -7.006043      9.515424      2.668726
  H     -10.159841      6.991139      0.462956
  H     -10.204366      4.606041     -0.376595
  H      -8.202554      3.162644     -0.007378
  H      -6.905895      1.761917      7.308966
  H      -6.645612      1.705166      5.557610
  H      -6.511170      4.319165      5.680495
  H      -7.303597      4.167506      7.252466
  H      -8.943930      4.554777      5.440939
  H      -9.215110      2.934654      6.156762
  H     -10.853790      3.819644      4.543923
  H     -12.626642      3.224766      2.936160
  H     -10.832661      0.366306     -0.167278
  H      -8.534123     -0.633976     -0.514259
  H      -6.698294      0.009328      1.060295
  N      -4.626388      2.416435      3.640650
  N      -5.426759      2.574734      2.522026
  H      -6.361292      2.039705      2.585735
  H      -4.903785      2.267781      1.621405
  H      -5.680676      3.570210      2.332404
103
Coordinates from ORCA-job orca E -6485.326021444643
  N      -3.161246      0.314433      5.081163
  Mo     -3.718800      2.215710      5.180639
  N      -5.013353      2.422261      6.638823
  C      -4.540839      2.621397      8.009923
  C      -3.324792      1.726650      8.228358
  N      -2.380717      1.921125      7.099265
  C      -1.535803      0.730432      6.842119
  C      -2.344686     -0.317817      6.110703
  C      -1.533452      3.129269      7.272255
  C      -1.280165      3.687500      5.876716
  N      -2.562427      3.897639      5.216837
  H      -1.653894     -1.063352      5.675288
  H      -2.997803     -0.876509      6.812038
  H      -0.704830      1.059965      6.203720
  H      -1.109541      0.336860      7.781610
  H      -0.701567      4.626190      5.934412
  H      -0.671415      2.975532      5.294555
  H      -2.096324      3.864755      7.863088
  H      -0.611651      2.880445      7.827079
  H      -5.326514      2.353605      8.736792
  H      -4.280176      3.679637      8.195652
  H      -3.651110      0.677607      8.217005
  H      -2.826928      1.926901      9.193025
  C      -3.803904     -0.685153      4.220171
  C      -2.896561     -1.160127      3.073826
  C      -2.919385     -0.248404      1.863190
  O      -4.240771     -0.370370      1.241272
  C      -4.260784     -0.220493     -0.117059
  C      -4.369568     -1.325444     -0.940180
  C      -4.420911     -1.144305     -2.340522
  N      -4.360595      0.031439     -2.947023
  C      -4.268853      1.134081     -2.150124
  C      -4.213134      2.417298     -2.747894
  C      -4.155594      3.536013     -1.943258
  C      -4.174462      3.374920     -0.543119
  N      -4.208338      2.190696      0.060350
  C      -4.235971      1.071500     -0.718655
  C      -3.094215      5.240334      5.452449
  C      -4.236165      5.615785      4.516087
  C      -3.780718      5.733337      3.070601
  O      -4.873832      5.480874      2.151492
  C      -5.885713      6.373697      2.059543
  C      -5.870743      7.679508      2.517858
  C      -7.014395      8.485116      2.314158
  N      -8.128772      8.096074      1.715236
  C      -8.157508      6.808548      1.261046
  C      -9.319508      6.322180      0.612241
  C      -9.345139      5.021499      0.156948
  C      -8.212902      4.201750      0.361499
  N      -7.109174      4.607732      0.973761
  C      -7.067657      5.895787      1.408992
  C      -6.457588      2.319213      6.453282
  C      -7.157883      3.677554      6.279145
  C      -8.505147      3.564709      5.591676
  O      -8.273143      2.931531      4.309133
  C      -9.338179      2.658581      3.533476
  C     -10.620833      3.150249      3.721177
  C     -11.633116      2.795051      2.803718
  N     -11.473612      1.991992      1.763774
  C     -10.224191      1.473785      1.582332
  C      -9.998769      0.583920      0.503323
  C      -8.741952      0.048359      0.314424
  C      -7.706183      0.415180      1.196144
  N      -7.870041      1.253479      2.214914
  C      -9.109753      1.777972      2.425909
  H      -4.093094     -1.553188      4.840767
  H      -4.733118     -0.276720      3.803925
  H      -1.857078     -1.234462      3.431686
  H      -3.196217     -2.170135      2.751913
  H      -2.162158     -0.556556      1.126632
  H      -2.750577      0.805746      2.135672
  H      -4.404753     -2.325026     -0.505475
  H      -4.504520     -2.021741     -2.989147
  H      -4.226266      2.482091     -3.836886
  H      -4.114714      4.538864     -2.368691
  H      -4.186749      4.248680      0.113470
  H      -2.270342      5.969392      5.322246
  H      -3.450576      5.372136      6.495935
  H      -4.702766      6.546095      4.868645
  H      -5.002432      4.827743      4.556241
  H      -3.059836      4.938204      2.841050
  H      -3.317474      6.706438      2.844412
  H      -5.003493      8.101715      3.023158
  H      -6.995180      9.518462      2.674918
  H     -10.166033      6.999519      0.489074
  H     -10.222599      4.613639     -0.346168
  H      -8.217879      3.167512      0.006747
  H      -6.904683      1.774915      7.305887
  H      -6.644024      1.717443      5.555112
  H      -6.515887      4.330628      5.671673
  H      -7.302025      4.182170      7.247011
  H      -8.950163      4.560357      5.437620
  H      -9.215425      2.943129      6.162873
  H     -10.863809      3.811942      4.550445
  H     -12.637283      3.206121      2.947238
  H     -10.838660      0.344441     -0.150588
  H      -8.536360     -0.645624     -0.500999
  H      -6.698842      0.012026      1.066307
  N      -4.613433      2.409997      3.625800
  N      -5.428982      2.576203      2.517110
  H      -6.363325      2.043240      2.587124
  H      -4.917161      2.269434      1.613475
  H      -5.678235      3.573957      2.334500
103
Coordinates from ORCA-job orca E -6485.326068308461
  N      -3.170035      0.312290      5.081858
  Mo     -3.717158      2.217113      5.176047
  N      -5.012379      2.431723      6.633251
  C      -4.540686      2.631272      8.004321
  C      -3.329273      1.730938      8.226424
  N      -2.382323      1.918937      7.098721
  C      -1.543954      0.723798      6.843383
  C      -2.358462     -0.321755      6.114061
  C      -1.528873      3.122951      7.271304
  C      -1.275033      3.681927      5.876488
  N      -2.556606      3.897000      5.217495
  H      -1.671163     -1.072525      5.682038
  H      -3.015353     -0.874707      6.816520
  H      -0.712085      1.048113      6.203324
  H      -1.118284      0.329427      7.782882
  H      -0.693572      4.618825      5.935394
  H      -0.668333      2.968989      5.293223
  H      -2.086311      3.860169      7.865167
  H      -0.606887      2.868663      7.823376
  H      -5.328732      2.370327      8.731072
  H      -4.273436      3.688268      8.187619
  H      -3.660482      0.683433      8.216650
  H      -2.832221      1.930937      9.191588
  C      -3.812373     -0.685784      4.219065
  C      -2.903068     -1.161047      3.074531
  C      -2.919369     -0.247556      1.865298
  O      -4.239056     -0.363094      1.237645
  C      -4.246655     -0.224219     -0.122085
  C      -4.322412     -1.335254     -0.940134
  C      -4.359205     -1.162552     -2.342288
  N      -4.316025      0.010998     -2.954230
  C      -4.256412      1.119445     -2.162349
  C      -4.217642      2.400519     -2.766286
  C      -4.187869      3.523851     -1.967066
  C      -4.217764      3.369307     -0.565887
  N      -4.238383      2.188144      0.042912
  C      -4.239048      1.064967     -0.730451
  C      -3.082449      5.241896      5.450701
  C      -4.226849      5.618443      4.518268
  C      -3.778213      5.733993      3.070280
  O      -4.877013      5.483792      2.157264
  C      -5.886378      6.379556      2.069454
  C      -5.866814      7.684854      2.528782
  C      -7.009323      8.493224      2.329525
  N      -8.126920      8.107018      1.734625
  C      -8.160289      6.819628      1.280135
  C      -9.326313      6.335423      0.637237
  C      -9.356666      5.034981      0.181547
  C      -8.224670      4.213235      0.379780
  N      -7.116719      4.617207      0.986411
  C      -7.071637      5.904765      1.422481
  C      -6.455773      2.324627      6.446210
  C      -7.160687      3.681198      6.275310
  C      -8.509136      3.565336      5.590777
  O      -8.277708      2.931093      4.308433
  C      -9.342042      2.658389      3.532177
  C     -10.624399      3.152059      3.715852
  C     -11.634992      2.795896      2.796752
  N     -11.473920      1.991571      1.758035
  C     -10.224317      1.472449      1.579812
  C      -9.996122      0.582488      0.501519
  C      -8.738949      0.046691      0.315873
  C      -7.705369      0.412748      1.200761
  N      -7.872202      1.250551      2.219300
  C      -9.112043      1.776051      2.426266
  H      -4.103256     -1.554004      4.838620
  H      -4.740973     -0.277096      3.801661
  H      -1.864939     -1.239006      3.435628
  H      -3.204152     -2.169782      2.749834
  H      -2.160518     -0.557276      1.131036
  H      -2.748653      0.805806      2.139550
  H      -4.342986     -2.333063     -0.500433
  H      -4.415671     -2.044964     -2.987188
  H      -4.219919      2.459208     -3.855725
  H      -4.159364      4.525280     -2.396801
  H      -4.249873      4.246140      0.086014
  H      -2.256855      5.968231      5.315623
  H      -3.434298      5.377892      6.495308
  H      -4.690228      6.550271      4.871317
  H      -4.995119      4.832566      4.562094
  H      -3.060785      4.936874      2.836959
  H      -3.314244      6.705921      2.840779
  H      -4.997269      8.104734      3.032103
  H      -6.986294      9.526417      2.690430
  H     -10.172159      7.014322      0.517986
  H     -10.237752      4.629132     -0.316816
  H      -8.232280      3.179144      0.024599
  H      -6.902600      1.776341      7.296538
  H      -6.639925      1.724747      5.546294
  H      -6.521631      4.337105      5.667664
  H      -7.304253      4.184222      7.244117
  H      -8.956755      4.559744      5.436846
  H      -9.216758      2.942123      6.163512
  H     -10.868704      3.815370      4.543487
  H     -12.639180      3.207894      2.937607
  H     -10.834516      0.343083     -0.154369
  H      -8.531545     -0.647540     -0.498880
  H      -6.697860      0.009064      1.073554
  N      -4.599414      2.412257      3.613538
  N      -5.433136      2.580470      2.516870
  H      -6.365414      2.046922      2.595882
  H      -4.933593      2.274087      1.607452
  H      -5.682142      3.578835      2.339949
103
Coordinates from ORCA-job orca E -6485.326110838492
  N      -3.174276      0.309757      5.085159
  Mo     -3.713789      2.217190      5.173271
  N      -5.010784      2.437629      6.628546
  C      -4.541170      2.638501      7.999759
  C      -3.332966      1.735216      8.226361
  N      -2.382916      1.917743      7.100640
  C      -1.549448      0.718674      6.848879
  C      -2.367708     -0.325205      6.120772
  C      -1.525117      3.118889      7.272337
  C      -1.270001      3.677168      5.877350
  N      -2.551260      3.895876      5.219059
  H      -1.682977     -1.080276      5.692071
  H      -3.028127     -0.873774      6.823367
  H      -0.715664      1.037729      6.208593
  H      -1.125816      0.324469      7.789419
  H      -0.686154      4.612618      5.936768
  H      -0.664757      2.963119      5.293951
  H      -2.078644      3.857951      7.867558
  H      -0.603132      2.860974      7.822831
  H      -5.331382      2.382337      8.725855
  H      -4.270040      3.694878      8.181211
  H      -3.667405      0.688709      8.217882
  H      -2.837830      1.935660      9.192416
  C      -3.815384     -0.687214      4.220058
  C      -2.904919     -1.162366      3.076241
  C      -2.915303     -0.246261      1.868848
  O      -4.235130     -0.352287      1.238857
  C      -4.238119     -0.221600     -0.121764
  C      -4.295378     -1.337110     -0.934891
  C      -4.326601     -1.171110     -2.338168
  N      -4.295616     -0.000294     -2.955507
  C      -4.254211      1.112555     -2.168896
  C      -4.227423      2.391162     -2.778909
  C      -4.212465      3.518260     -1.985170
  C      -4.245819      3.369987     -0.583011
  N      -4.257382      2.191799      0.030911
  C      -4.243160      1.065015     -0.736806
  C      -3.073136      5.242461      5.450152
  C      -4.219560      5.619214      4.519841
  C      -3.776439      5.731925      3.069737
  O      -4.879376      5.483595      2.160740
  C      -5.886855      6.381660      2.075173
  C      -5.863156      7.687335      2.532871
  C      -7.004444      8.498028      2.335354
  N      -8.124480      8.113881      1.743850
  C      -8.162519      6.825879      1.291291
  C      -9.331391      6.342800      0.652618
  C      -9.364984      5.042048      0.197549
  C      -8.233319      4.219222      0.392043
  N      -7.123115      4.621322      0.996177
  C      -7.075509      5.909077      1.431372
  C      -6.453376      2.327729      6.439354
  C      -7.161534      3.682792      6.269331
  C      -8.511015      3.564109      5.588180
  O      -8.280663      2.928099      4.306496
  C      -9.344733      2.655528      3.530704
  C     -10.627341      3.148273      3.714146
  C     -11.637377      2.791670      2.794420
  N     -11.474915      1.989965      1.753969
  C     -10.224544      1.472505      1.575348
  C      -9.994243      0.586206      0.494627
  C      -8.736767      0.051124      0.309666
  C      -7.704942      0.413747      1.198309
  N      -7.873465      1.248601      2.218906
  C      -9.113542      1.774170      2.424152
  H      -4.106866     -1.555937      4.838609
  H      -4.743709     -0.278413      3.802194
  H      -1.868001     -1.244384      3.439987
  H      -3.208019     -2.169589      2.748671
  H      -2.157059     -0.558299      1.134896
  H      -2.739857      0.805692      2.145247
  H      -4.306619     -2.333185     -0.490875
  H      -4.368101     -2.057031     -2.979299
  H      -4.226065      2.444377     -3.868649
  H      -4.192339      4.518019     -2.419293
  H      -4.288115      4.249542      0.064667
  H      -2.246795      5.967458      5.312874
  H      -3.423276      5.380606      6.495138
  H      -4.680132      6.552630      4.872693
  H      -4.989618      4.835374      4.567979
  H      -3.062237      4.932536      2.834529
  H      -3.311362      6.702633      2.837319
  H      -4.991554      8.106008      3.033625
  H      -6.977951      9.531596      2.694945
  H     -10.176867      7.022659      0.536024
  H     -10.248153      4.637087     -0.297848
  H      -8.243003      3.185462      0.035944
  H      -6.900354      1.777221      7.288298
  H      -6.634886      1.728519      5.538417
  H      -6.524240      4.339083      5.660080
  H      -7.303712      4.185997      7.238282
  H      -8.960183      4.557766      5.433810
  H      -9.216840      2.940576      6.162765
  H     -10.872411      3.810965      4.542125
  H     -12.642418      3.201224      2.936741
  H     -10.831413      0.348891     -0.163609
  H      -8.527703     -0.640315     -0.507012
  H      -6.697548      0.009322      1.072151
  N      -4.585418      2.411372      3.603965
  N      -5.433246      2.582475      2.517224
  H      -6.362527      2.046350      2.602337
  H      -4.942683      2.279558      1.602544
  H      -5.683551      3.581290      2.347366
103
Coordinates from ORCA-job orca E -6485.326172965782
  N      -3.184942      0.304401      5.089977
  Mo     -3.708216      2.217111      5.166011
  N      -5.007822      2.451085      6.617928
  C      -4.540627      2.655395      7.989066
  C      -3.339032      1.745510      8.224270
  N      -2.383640      1.915485      7.101541
  C      -1.561270      0.707767      6.856864
  C      -2.388423     -0.332232      6.132271
  C      -1.516348      3.110050      7.270431
  C      -1.259352      3.665785      5.874574
  N      -2.540024      3.891874      5.217932
  H      -1.710230     -1.096930      5.710115
  H      -3.056190     -0.870546      6.835890
  H      -0.723566      1.015157      6.215792
  H      -1.141980      0.313903      7.799574
  H      -0.670039      4.597945      5.933708
  H      -0.658055      2.948487      5.291094
  H      -2.061635      3.853758      7.867443
  H      -0.594565      2.844959      7.818010
  H      -5.334418      2.408864      8.714654
  H      -4.262095      3.710607      8.166309
  H      -3.680683      0.701275      8.219710
  H      -2.846725      1.947325      9.191498
  C      -3.826503     -0.689774      4.221951
  C      -2.914904     -1.168884      3.080654
  C      -2.909597     -0.248863      1.876188
  O      -4.228971     -0.330690      1.240556
  C      -4.220688     -0.214155     -0.121279
  C      -4.241329     -1.335968     -0.926933
  C      -4.263218     -1.179879     -2.331925
  N      -4.257287     -0.013356     -2.957329
  C      -4.250772      1.105657     -2.178499
  C      -4.249385      2.380616     -2.797033
  C      -4.264196      3.512665     -2.011083
  C      -4.302300      3.372848     -0.607626
  N      -4.293373      2.199007      0.012993
  C      -4.250259      1.067818     -0.746378
  C      -3.052875      5.242045      5.445923
  C      -4.204172      5.620520      4.521849
  C      -3.771900      5.729774      3.068146
  O      -4.881773      5.484150      2.166301
  C      -5.889067      6.382946      2.089139
  C      -5.862818      7.687210      2.550386
  C      -7.005153      8.498611      2.360571
  N      -8.127846      8.116949      1.772951
  C      -8.168686      6.830567      1.316040
  C      -9.339667      6.349496      0.679590
  C      -9.373510      5.051044      0.217426
  C      -8.240634      4.228308      0.403884
  N      -7.129281      4.627341      1.008265
  C      -7.081594      5.913350      1.448627
  C      -6.449645      2.338151      6.426476
  C      -7.162082      3.691298      6.257885
  C      -8.512408      3.569601      5.579724
  O      -8.283173      2.930693      4.299197
  C      -9.346744      2.655592      3.524371
  C     -10.629681      3.148006      3.704961
  C     -11.638334      2.788290      2.784652
  N     -11.473692      1.986162      1.744969
  C     -10.222479      1.469368      1.568848
  C      -9.988818      0.583910      0.488274
  C      -8.730905      0.048535      0.307355
  C      -7.702281      0.409288      1.200686
  N      -7.873600      1.244144      2.220615
  C      -9.113736      1.771170      2.420437
  H      -4.122003     -1.557888      4.839467
  H      -4.752739     -0.278228      3.802287
  H      -1.880857     -1.261990      3.450112
  H      -3.225472     -2.172382      2.748585
  H      -2.153520     -0.568862      1.143405
  H      -2.721128      0.799792      2.156551
  H      -4.233982     -2.329325     -0.476825
  H      -4.276541     -2.070812     -2.967298
  H      -4.242320      2.426333     -3.887117
  H      -4.263066      4.510022     -2.451132
  H      -4.365659      4.255251      0.034449
  H      -2.224428      5.963278      5.302248
  H      -3.397557      5.385134      6.492162
  H      -4.659342      6.555927      4.876613
  H      -4.976824      4.839804      4.578242
  H      -3.062440      4.927536      2.828734
  H      -3.306417      6.699256      2.831487
  H      -4.988728      8.104388      3.048003
  H      -6.976592      9.531021      2.723390
  H     -10.186542      7.028840      0.570189
  H     -10.257583      4.647816     -0.277724
  H      -8.250756      3.196942      0.040785
  H      -6.896408      1.784743      7.273847
  H      -6.628282      1.739692      5.524337
  H      -6.526491      4.348722      5.647996
  H      -7.303645      4.193770      7.227339
  H      -8.962305      4.562838      5.424326
  H      -9.217368      2.946705      6.155996
  H     -10.876064      3.813659      4.530211
  H     -12.644069      3.196324      2.926435
  H     -10.823742      0.347472     -0.173155
  H      -8.518790     -0.642157     -0.509181
  H      -6.695108      0.002773      1.078810
  N      -4.559203      2.407181      3.584198
  N      -5.432958      2.586387      2.516809
  H      -6.357893      2.048954      2.614537
  H      -4.959962      2.288556      1.592045
  H      -5.683852      3.586403      2.359456
103
Coordinates from ORCA-job orca E -6485.326230518078
  N      -3.191329      0.298522      5.095197
  Mo     -3.700159      2.215495      5.157827
  N      -5.005022      2.461792      6.603986
  C      -4.542545      2.670804      7.975829
  C      -3.347109      1.755910      8.222505
  N      -2.384602      1.913623      7.104594
  C      -1.572734      0.697334      6.868968
  C      -2.406671     -0.338976      6.145797
  C      -1.509136      3.101938      7.271564
  C      -1.248399      3.654091      5.874645
  N      -2.527590      3.886623      5.217391
  H      -1.734031     -1.112803      5.731298
  H      -3.082970     -0.867336      6.848837
  H      -0.729157      0.992658      6.229768
  H      -1.160843      0.303854      7.815169
  H      -0.653632      4.582924      5.933196
  H      -0.650429      2.932823      5.292667
  H      -2.048162      3.850568      7.868093
  H      -0.588548      2.831212      7.818533
  H      -5.340830      2.432869      8.699461
  H      -4.258938      3.725322      8.149197
  H      -3.694884      0.713652      8.221848
  H      -2.859795      1.960108      9.191779
  C      -3.832752     -0.692922      4.224001
  C      -2.919749     -1.177572      3.086132
  C      -2.895466     -0.254050      1.884584
  O      -4.215089     -0.304190      1.245709
  C      -4.201541     -0.203059     -0.116997
  C      -4.187465     -1.331756     -0.912979
  C      -4.208540     -1.188363     -2.319573
  N      -4.232711     -0.028175     -2.955552
  C      -4.258125      1.097529     -2.186821
  C      -4.286652      2.366683     -2.816694
  C      -4.329536      3.504787     -2.041270
  C      -4.366277      3.376555     -0.636232
  N      -4.332018      2.208827     -0.006222
  C      -4.261143      1.072133     -0.754605
  C      -3.032594      5.239941      5.443091
  C      -4.188465      5.620971      4.524951
  C      -3.766035      5.728203      3.068201
  O      -4.882111      5.485593      2.172362
  C      -5.889745      6.384619      2.103885
  C      -5.861800      7.686931      2.570432
  C      -7.005863      8.498404      2.389977
  N      -8.130997      8.119267      1.806031
  C      -8.173495      6.835488      1.342023
  C      -9.345958      6.357268      0.705913
  C      -9.379137      5.062076      0.234164
  C      -8.244835      4.239587      0.411534
  N      -7.133028      4.635034      1.017178
  C      -7.085646      5.918326      1.465744
  C      -6.446151      2.347194      6.409308
  C      -7.161600      3.699152      6.243696
  C      -8.512822      3.575620      5.568233
  O      -8.284678      2.934831      4.288661
  C      -9.347825      2.656286      3.515064
  C     -10.631576      3.146458      3.694345
  C     -11.638820      2.783768      2.773320
  N     -11.471699      1.981732      1.734062
  C     -10.219420      1.466454      1.559834
  C      -9.982465      0.581373      0.479712
  C      -8.723700      0.046868      0.302330
  C      -7.697922      0.407587      1.199214
  N      -7.871948      1.242855      2.218028
  C      -9.112635      1.769648      2.413233
  H      -4.133548     -1.559953      4.840483
  H      -4.755887     -0.277629      3.801304
  H      -1.889231     -1.283601      3.462242
  H      -3.239735     -2.176688      2.749745
  H      -2.144408     -0.585689      1.151825
  H      -2.688416      0.790028      2.169018
  H      -4.157359     -2.321135     -0.455131
  H      -4.196997     -2.084884     -2.947002
  H      -4.278721      2.402648     -3.907163
  H      -4.351159      4.498131     -2.489776
  H      -4.449987      4.262333     -0.001365
  H      -2.202074      5.957550      5.293845
  H      -3.372585      5.387098      6.490330
  H      -4.638584      6.557654      4.882704
  H      -4.963039      4.842817      4.589297
  H      -3.060638      4.923721      2.824796
  H      -3.300399      6.696892      2.828579
  H      -4.985259      8.102581      3.064943
  H      -6.975962      9.529017      2.757884
  H     -10.194477      7.035838      0.604694
  H     -10.263315      4.661012     -0.262523
  H      -8.255079      3.211404      0.039301
  H      -6.893380      1.790185      7.254243
  H      -6.621701      1.750806      5.505035
  H      -6.527585      4.357971      5.633697
  H      -7.302077      4.199747      7.214282
  H      -8.962867      4.568793      5.412025
  H      -9.217436      2.953721      6.145913
  H     -10.879354      3.814111      4.517570
  H     -12.645366      3.189895      2.914728
  H     -10.815248      0.344608     -0.184312
  H      -8.508225     -0.643293     -0.513792
  H      -6.690648     -0.000020      1.081095
  N      -4.528752      2.403227      3.563419
  N      -5.428907      2.592855      2.516898
  H      -6.349176      2.054879      2.627387
  H      -4.974800      2.302480      1.580310
  H      -5.679919      3.594395      2.374407
103
Coordinates from ORCA-job orca E -6485.324481150203
  N      -3.230123      0.291734      5.099480
  Mo     -3.699426      2.221823      5.141121
  N      -5.006349      2.504492      6.581660
  C      -4.546021      2.720032      7.952243
  C      -3.371065      1.778801      8.215446
  N      -2.398402      1.905420      7.102360
  C      -1.612336      0.668740      6.879804
  C      -2.467262     -0.354097      6.162416
  C      -1.497950      3.076349      7.264662
  C      -1.228966      3.622886      5.866456
  N      -2.504745      3.877871      5.208436
  H      -1.810070     -1.148288      5.761507
  H      -3.160926     -0.858312      6.867216
  H      -0.759794      0.940556      6.240351
  H      -1.210943      0.271716      7.829780
  H      -0.618241      4.542080      5.923079
  H      -0.641999      2.890007      5.285997
  H      -2.020195      3.837478      7.861858
  H      -0.580525      2.786788      7.809964
  H      -5.353211      2.510899      8.676242
  H      -4.237851      3.770165      8.111764
  H      -3.742130      0.744163      8.223377
  H      -2.884967      1.980952      9.185243
  C      -3.873225     -0.690082      4.220131
  C      -2.954369     -1.184483      3.093064
  C      -2.894674     -0.255261      1.895727
  O      -4.206301     -0.265897      1.232697
  C      -4.151674     -0.185986     -0.134611
  C      -4.046571     -1.330889     -0.929605
  C      -4.025309     -1.201179     -2.341518
  N      -4.092785     -0.038470     -2.981254
  C      -4.203861      1.101750     -2.214211
  C      -4.277040      2.373206     -2.848801
  C      -4.396365      3.522799     -2.076573
  C      -4.461682      3.401743     -0.669956
  N      -4.391471      2.233887     -0.036693
  C      -4.251207      1.088556     -0.779693
  C      -2.985762      5.241593      5.425593
  C      -4.147972      5.627141      4.517113
  C      -3.743533      5.704471      3.050235
  O      -4.885104      5.479358      2.176047
  C      -5.871546      6.406418      2.113313
  C      -5.798555      7.723026      2.557242
  C      -6.925926      8.564821      2.383534
  N      -8.075226      8.202352      1.826476
  C      -8.162428      6.904136      1.385915
  C      -9.362873      6.441492      0.780778
  C      -9.441105      5.131461      0.331703
  C      -8.323804      4.278405      0.500619
  N      -7.187230      4.658646      1.078978
  C      -7.095334      5.956391      1.505041
  C      -6.446160      2.381534      6.385417
  C      -7.171823      3.724086      6.208940
  C      -8.530004      3.578614      5.550552
  O      -8.306693      2.921093      4.281486
  C      -9.371889      2.614035      3.519236
  C     -10.661508      3.084244      3.700149
  C     -11.667152      2.694901      2.786330
  N     -11.492407      1.888224      1.751281
  C     -10.233996      1.392027      1.576303
  C      -9.985834      0.504961      0.499050
  C      -8.719581     -0.010115      0.321017
  C      -7.697827      0.369716      1.215867
  N      -7.883354      1.207080      2.232199
  C      -9.129960      1.717955      2.425531
  H      -4.190338     -1.553664      4.832278
  H      -4.787788     -0.264003      3.787823
  H      -1.930639     -1.312594      3.484459
  H      -3.288835     -2.175047      2.746717
  H      -2.140526     -0.598909      1.173874
  H      -2.670450      0.782192      2.188809
  H      -3.980843     -2.322516     -0.467972
  H      -3.942812     -2.110790     -2.968152
  H      -4.239621      2.400776     -3.940664
  H      -4.452490      4.518238     -2.527975
  H      -4.597729      4.292601     -0.037941
  H      -2.145575      5.946309      5.258403
  H      -3.312334      5.406962      6.475644
  H      -4.578073      6.578639      4.867496
  H      -4.936238      4.861098      4.604556
  H      -3.062050      4.875270      2.800869
  H      -3.253593      6.660892      2.792822
  H      -4.899247      8.127213      3.028921
  H      -6.860333      9.606850      2.732809
  H     -10.196047      7.143925      0.683420
  H     -10.347551      4.742601     -0.141689
  H      -8.368053      3.239075      0.143009
  H      -6.892440      1.828148      7.231288
  H      -6.618149      1.778712      5.486746
  H      -6.549999      4.378331      5.582684
  H      -7.304806      4.236781      7.172081
  H      -8.992625      4.563322      5.382403
  H      -9.221896      2.958678      6.143407
  H     -10.914805      3.756686      4.517878
  H     -12.678146      3.083958      2.928951
  H     -10.815720      0.251535     -0.163057
  H      -8.495293     -0.700707     -0.493596
  H      -6.684395     -0.024567      1.098761
  N      -4.492190      2.399561      3.526554
  N      -5.450069      2.585783      2.516082
  H      -6.360164      2.029351      2.656702
  H      -5.019969      2.304496      1.560167
  H      -5.723392      3.589269      2.387409
103
Coordinates from ORCA-job orca E -6485.325926373138
  N      -3.226271      0.291988      5.093236
  Mo     -3.691849      2.221729      5.130612
  N      -5.004417      2.506319      6.565601
  C      -4.551051      2.719341      7.939832
  C      -3.379464      1.775257      8.209656
  N      -2.402014      1.902280      7.101266
  C      -1.615352      0.666418      6.880477
  C      -2.466037     -0.355339      6.159451
  C      -1.502886      3.072676      7.269209
  C      -1.225956      3.623577      5.871716
  N      -2.497013      3.879373      5.205235
  H      -1.805391     -1.149793      5.760734
  H      -3.162515     -0.859543      6.864194
  H      -0.761066      0.939988      6.244522
  H      -1.217466      0.267102      7.831684
  H      -0.617062      4.544060      5.932229
  H      -0.634486      2.891291      5.292862
  H      -2.029194      3.833923      7.864520
  H      -0.589325      2.781008      7.820525
  H      -5.361919      2.511487      8.659066
  H      -4.242891      3.768143      8.100781
  H      -3.751093      0.741260      8.216005
  H      -2.898144      1.976456      9.182244
  C      -3.869716     -0.688319      4.215551
  C      -2.954141     -1.184637      3.090682
  C      -2.894030     -0.255132      1.893940
  O      -4.199548     -0.256682      1.237045
  C      -4.143428     -0.172415     -0.125465
  C      -4.027846     -1.305815     -0.913220
  C      -4.006383     -1.170661     -2.319213
  N      -4.081576     -0.013148     -2.960846
  C      -4.199411      1.113757     -2.201317
  C      -4.275213      2.376915     -2.839218
  C      -4.401206      3.513860     -2.074886
  C      -4.473801      3.389722     -0.671564
  N      -4.403068      2.229889     -0.034813
  C      -4.251293      1.095691     -0.771711
  C      -2.981210      5.241562      5.419879
  C      -4.142180      5.624917      4.509244
  C      -3.741948      5.702274      3.043239
  O      -4.884610      5.475745      2.173943
  C      -5.866357      6.399321      2.105049
  C      -5.792563      7.706602      2.542570
  C      -6.916743      8.542588      2.365647
  N      -8.064617      8.182730      1.812808
  C      -8.152133      6.894328      1.380346
  C      -9.352176      6.436396      0.783081
  C      -9.433415      5.136542      0.345452
  C      -8.317943      4.288878      0.514514
  N      -7.181306      4.665505      1.083967
  C      -7.087040      5.952883      1.501921
  C      -6.443828      2.381629      6.368400
  C      -7.173316      3.723870      6.207634
  C      -8.533429      3.575092      5.552259
  O      -8.310654      2.924815      4.277390
  C      -9.378675      2.617404      3.519082
  C     -10.673722      3.082928      3.708876
  C     -11.683559      2.692967      2.800319
  N     -11.509222      1.886819      1.765278
  C     -10.246945      1.393605      1.583848
  C     -10.002299      0.504008      0.510404
  C      -8.734660     -0.008088      0.327678
  C      -7.706069      0.379359      1.211871
  N      -7.887975      1.218546      2.223730
  C      -9.137064      1.724138      2.424131
  H      -4.188212     -1.550252      4.827802
  H      -4.782444     -0.260268      3.782079
  H      -1.932745     -1.314802      3.480849
  H      -3.289267     -2.172287      2.746280
  H      -2.147450     -0.598196      1.170595
  H      -2.666114      0.775766      2.185686
  H      -3.952489     -2.293032     -0.449702
  H      -3.917264     -2.070099     -2.938586
  H      -4.232704      2.407750     -3.927628
  H      -4.457242      4.501498     -2.530100
  H      -4.613231      4.269516     -0.046091
  H      -2.141642      5.946379      5.252110
  H      -3.307629      5.408368      6.469450
  H      -4.572704      6.574367      4.857009
  H      -4.928019      4.859328      4.595683
  H      -3.061106      4.878695      2.793188
  H      -3.256805      6.655573      2.783525
  H      -4.895664      8.107663      3.012634
  H      -6.851026      9.576425      2.709222
  H     -10.182869      7.134016      0.682311
  H     -10.341446      4.752388     -0.119457
  H      -8.361876      3.257944      0.165131
  H      -6.891136      1.817358      7.208207
  H      -6.613547      1.788001      5.463429
  H      -6.556818      4.389053      5.585147
  H      -7.306685      4.227267      7.177066
  H      -9.001100      4.557730      5.389979
  H      -9.220456      2.947591      6.146008
  H     -10.928741      3.751159      4.530537
  H     -12.699940      3.079392      2.948375
  H     -10.837416      0.245012     -0.143200
  H      -8.514797     -0.702293     -0.482480
  H      -6.691145     -0.010727      1.089240
  N      -4.477891      2.398587      3.512662
  N      -5.445966      2.582856      2.511109
  H      -6.354025      2.028165      2.655075
  H      -5.020999      2.302990      1.552414
  H      -5.720056      3.586202      2.388345
103
Coordinates from ORCA-job orca E -6485.315903911281
  N      -3.209191      0.308977      5.086144
  Mo     -3.688251      2.234119      5.126428
  N      -5.002748      2.490960      6.557070
  C      -4.548541      2.701102      7.931060
  C      -3.369791      1.775560      8.198049
  N      -2.397398      1.917514      7.096750
  C      -1.604376      0.698275      6.870804
  C      -2.447228     -0.322425      6.143153
  C      -1.510249      3.089195      7.274631
  C      -1.241807      3.645447      5.887866
  N      -2.508426      3.891288      5.218112
  H      -1.794381     -1.103632      5.740724
  H      -3.130688     -0.829414      6.836948
  H      -0.756948      0.979395      6.240724
  H      -1.203970      0.301853      7.818792
  H      -0.643359      4.562237      5.959412
  H      -0.649469      2.930157      5.309752
  H      -2.038924      3.836281      7.869350
  H      -0.597706      2.807988      7.824944
  H      -5.353865      2.477946      8.645052
  H      -4.252930      3.749219      8.101553
  H      -3.730460      0.741751      8.196761
  H      -2.891072      1.977112      9.172361
  C      -3.855825     -0.690747      4.218444
  C      -2.932134     -1.204637      3.085395
  C      -2.878396     -0.270654      1.888804
  O      -4.214467     -0.268185      1.250452
  C      -4.198682     -0.176656     -0.105398
  C      -4.167402     -1.275741     -0.873473
  C      -4.183975     -1.131445     -2.277743
  N      -4.213691     -0.001895     -2.937643
  C      -4.257441      1.098846     -2.192625
  C      -4.293095      2.342748     -2.846127
  C      -4.366264      3.475720     -2.088217
  C      -4.425078      3.366630     -0.675994
  N      -4.380519      2.215065     -0.026141
  C      -4.278403      1.080745     -0.759989
  C      -2.995432      5.244332      5.436347
  C      -4.153477      5.628013      4.528209
  C      -3.747241      5.713302      3.066982
  O      -4.875338      5.480337      2.192738
  C      -5.864585      6.406606      2.129011
  C      -5.797273      7.728119      2.583328
  C      -6.923404      8.574232      2.408537
  N      -8.063982      8.209682      1.840678
  C      -8.146494      6.905017      1.388952
  C      -9.338753      6.439081      0.767822
  C      -9.411451      5.120853      0.304022
  C      -8.297538      4.265784      0.476727
  N      -7.168264      4.650033      1.069596
  C      -7.081525      5.953857      1.508257
  C      -6.442053      2.356476      6.363686
  C      -7.178241      3.704574      6.205494
  C      -8.537319      3.561957      5.549609
  O      -8.305511      2.912118      4.271501
  C      -9.366434      2.607870      3.506870
  C     -10.645773      3.074277      3.672323
  C     -11.636810      2.681810      2.746185
  N     -11.456516      1.874133      1.717004
  C     -10.207447      1.381568      1.559218
  C      -9.950953      0.494773      0.487425
  C      -8.691479     -0.016052      0.326204
  C      -7.682591      0.368822      1.230401
  N      -7.875017      1.208681      2.242527
  C      -9.118242      1.713391      2.418881
  H      -4.173260     -1.551608      4.840478
  H      -4.774612     -0.268889      3.789792
  H      -1.894296     -1.332449      3.465211
  H      -3.274669     -2.213471      2.747712
  H      -2.117305     -0.623686      1.149890
  H      -2.643012      0.786296      2.186382
  H      -4.133807     -2.245036     -0.400367
  H      -4.164116     -2.005355     -2.883412
  H      -4.271749      2.369372     -3.939206
  H      -4.399524      4.455431     -2.554270
  H      -4.539476      4.258959     -0.050077
  H      -2.164120      5.949956      5.273945
  H      -3.321694      5.400643      6.483557
  H      -4.586540      6.572918      4.879195
  H      -4.932735      4.860187      4.617256
  H      -3.061605      4.893707      2.824878
  H      -3.268857      6.673641      2.809793
  H      -4.903312      8.132120      3.064067
  H      -6.861561      9.621295      2.765431
  H     -10.168899      7.145865      0.668539
  H     -10.309830      4.728005     -0.184086
  H      -8.342041      3.219298      0.109013
  H      -6.882842      1.789413      7.211434
  H      -6.609877      1.754800      5.455847
  H      -6.560786      4.375160      5.578267
  H      -7.311608      4.207960      7.183337
  H      -9.002174      4.554467      5.388744
  H      -9.230319      2.934824      6.143113
  H     -10.903442      3.746418      4.484042
  H     -12.639752      3.069915      2.872435
  H     -10.769130      0.236586     -0.184362
  H      -8.462365     -0.706737     -0.483929
  H      -6.675247     -0.022618      1.128624
  N      -4.474773      2.412542      3.509257
  N      -5.439016      2.597863      2.510977
  H      -6.332479      2.061374      2.644257
  H      -5.031202      2.327819      1.573223
  H      -5.701524      3.573136      2.373381
103
Coordinates from ORCA-job orca E -6485.321257755478
  N      -3.213620      0.304876      5.098147
  Mo     -3.689783      2.231918      5.142480
  N      -5.004003      2.488782      6.572172
  C      -4.545507      2.700279      7.943413
  C      -3.364675      1.776619      8.208230
  N      -2.393863      1.916047      7.104044
  C      -1.600961      0.692163      6.878503
  C      -2.449214     -0.330579      6.154599
  C      -1.503390      3.087828      7.275409
  C      -1.237366      3.636609      5.886495
  N      -2.509836      3.882125      5.221606
  H      -1.795083     -1.113944      5.751738
  H      -3.135476     -0.838656      6.849254
  H      -0.751776      0.969706      6.244782
  H      -1.199040      0.297615      7.826068
  H      -0.634649      4.552581      5.952060
  H      -0.648087      2.916590      5.309338
  H      -2.029477      3.838672      7.867932
  H      -0.588165      2.809250      7.822225
  H      -5.349531      2.477311      8.660318
  H      -4.250728      3.749422      8.111860
  H      -3.724735      0.742023      8.210928
  H      -2.884190      1.980786      9.179947
  C      -3.863017     -0.685540      4.226701
  C      -2.936773     -1.192646      3.098396
  C      -2.873983     -0.267846      1.898789
  O      -4.200655     -0.271768      1.235658
  C      -4.172121     -0.194305     -0.134531
  C      -4.114257     -1.329142     -0.922013
  C      -4.121694     -1.199798     -2.338887
  N      -4.170545     -0.050735     -2.992208
  C      -4.242780      1.084964     -2.229420
  C      -4.303026      2.350006     -2.875863
  C      -4.395427      3.507436     -2.103355
  C      -4.446969      3.398492     -0.687821
  N      -4.382611      2.229958     -0.043900
  C      -4.265570      1.076126     -0.787313
  C      -3.001325      5.235512      5.441248
  C      -4.165139      5.618171      4.530642
  C      -3.769860      5.714944      3.069885
  O      -4.892852      5.481742      2.190781
  C      -5.888264      6.383777      2.120462
  C      -5.847863      7.680801      2.567414
  C      -6.980750      8.495035      2.385989
  N      -8.102720      8.124755      1.817824
  C      -8.159113      6.846246      1.373634
  C      -9.328804      6.377651      0.752470
  C      -9.372195      5.087507      0.297381
  C      -8.253084      4.261500      0.477371
  N      -7.145478      4.646058      1.072225
  C      -7.086469      5.925539      1.501689
  C      -6.443672      2.361971      6.382157
  C      -7.170932      3.703945      6.222401
  C      -8.528206      3.572794      5.566291
  O      -8.309019      2.929440      4.297621
  C      -9.369900      2.645524      3.531473
  C     -10.651389      3.127018      3.712033
  C     -11.649247      2.754883      2.788205
  N     -11.472374      1.953851      1.745692
  C     -10.218339      1.448297      1.570115
  C      -9.963023      0.566761      0.481656
  C      -8.696034      0.041187      0.300660
  C      -7.682632      0.407331      1.204946
  N      -7.875307      1.241770      2.233085
  C      -9.123141      1.759355      2.427717
  H      -4.183162     -1.546727      4.844669
  H      -4.778595     -0.260052      3.793958
  H      -1.907072     -1.319272      3.489153
  H      -3.275621     -2.193421      2.755291
  H      -2.106517     -0.621993      1.173284
  H      -2.645351      0.785305      2.197754
  H      -4.069811     -2.309865     -0.452012
  H      -4.081502     -2.100330     -2.961317
  H      -4.282844      2.372255     -3.974370
  H      -4.443678      4.502370     -2.562734
  H      -4.570982      4.303960     -0.051464
  H      -2.171836      5.944195      5.282729
  H      -3.328573      5.387851      6.487951
  H      -4.601469      6.555655      4.886616
  H      -4.938327      4.849358      4.614959
  H      -3.081453      4.909275      2.826184
  H      -3.305442      6.672878      2.819067
  H      -4.971255      8.088909      3.047327
  H      -6.941210      9.521540      2.738105
  H     -10.166313      7.059810      0.648652
  H     -10.251608      4.691699     -0.189119
  H      -8.276580      3.236277      0.117650
  H      -6.880964      1.803741      7.228426
  H      -6.618728      1.761001      5.480241
  H      -6.550069      4.363003      5.605327
  H      -7.301873      4.203929      7.191885
  H      -8.982098      4.558734      5.407286
  H      -9.224170      2.958920      6.152724
  H     -10.905427      3.795139      4.535110
  H     -12.654937      3.151600      2.929259
  H     -10.785325      0.324285     -0.188484
  H      -8.466029     -0.646946     -0.524039
  H      -6.670622      0.004682      1.088274
  N      -4.490410      2.413783      3.537609
  N      -5.430421      2.598758      2.528538
  H      -6.329382      2.070147      2.656279
  H      -5.018996      2.318803      1.585050
  H      -5.681483      3.578626      2.392420
103
Coordinates from ORCA-job orca E -6485.322265413290
  N      -3.209200      0.299538      5.096287
  Mo     -3.684851      2.227059      5.146038
  N      -4.999370      2.491592      6.582470
  C      -4.547253      2.705055      7.959407
  C      -3.364998      1.769630      8.224180
  N      -2.386119      1.906613      7.110104
  C      -1.589831      0.670392      6.880583
  C      -2.437750     -0.357502      6.157379
  C      -1.489163      3.084600      7.277995
  C      -1.215934      3.638075      5.877952
  N      -2.494526      3.888149      5.217898
  H      -1.768132     -1.153476      5.747701
  H      -3.135037     -0.876974      6.865770
  H      -0.734645      0.951183      6.240605
  H      -1.187139      0.270725      7.830094
  H      -0.604994      4.565416      5.935494
  H      -0.620844      2.902976      5.293196
  H      -2.020205      3.846966      7.877904
  H      -0.571096      2.799624      7.825669
  H      -5.357812      2.485240      8.680940
  H      -4.250600      3.759812      8.125285
  H      -3.729819      0.728961      8.228163
  H      -2.885062      1.972751      9.197779
  C      -3.861254     -0.677702      4.223201
  C      -2.955220     -1.174644      3.095812
  C      -2.890578     -0.256220      1.893218
  O      -4.187162     -0.264460      1.240643
  C      -4.153513     -0.184569     -0.125803
  C      -4.074243     -1.338705     -0.916950
  C      -4.077583     -1.215486     -2.323858
  N      -4.144640     -0.050164     -2.966344
  C      -4.231675      1.096462     -2.204017
  C      -4.299968      2.364422     -2.838803
  C      -4.388512      3.499172     -2.076332
  C      -4.433322      3.371521     -0.680918
  N      -4.370118      2.214035     -0.045591
  C      -4.253559      1.083187     -0.776645
  C      -2.984461      5.255097      5.436141
  C      -4.148429      5.639346      4.527079
  C      -3.739785      5.722952      3.059867
  O      -4.878042      5.489542      2.181101
  C      -5.874749      6.405123      2.119458
  C      -5.818112      7.712698      2.577085
  C      -6.956292      8.542608      2.407111
  N      -8.104535      8.176028      1.839773
  C      -8.173652      6.887757      1.385325
  C      -9.369911      6.425179      0.767596
  C      -9.430700      5.128167      0.304770
  C      -8.299839      4.285028      0.471931
  N      -7.167976      4.666357      1.061629
  C      -7.091875      5.952337      1.501150
  C      -6.439316      2.365871      6.379379
  C      -7.166227      3.713436      6.208672
  C      -8.522302      3.569635      5.539169
  O      -8.301795      2.912251      4.260704
  C      -9.369378      2.615142      3.494757
  C     -10.667962      3.099555      3.679346
  C     -11.683942      2.724599      2.768544
  N     -11.513824      1.916616      1.735721
  C     -10.247410      1.406243      1.556342
  C     -10.006639      0.519214      0.482467
  C      -8.737003     -0.004831      0.304073
  C      -7.705574      0.366454      1.195780
  N      -7.882479      1.201570      2.204864
  C      -9.131197      1.720390      2.400385
  H      -4.179247     -1.538615      4.839702
  H      -4.772860     -0.248760      3.791773
  H      -1.941797     -1.304866      3.484016
  H      -3.291766     -2.153087      2.756504
  H      -2.151135     -0.600194      1.173161
  H      -2.663823      0.765347      2.177311
  H      -4.013001     -2.325833     -0.448006
  H      -4.016343     -2.129860     -2.946222
  H      -4.280578      2.396521     -3.923142
  H      -4.437414      4.487068     -2.529057
  H      -4.547648      4.245411     -0.056985
  H      -2.142922      5.966225      5.270037
  H      -3.314225      5.418203      6.488850
  H      -4.582832      6.590497      4.881381
  H      -4.938071      4.869655      4.612007
  H      -3.048232      4.900682      2.808179
  H      -3.258485      6.684842      2.806101
  H      -4.924003      8.119037      3.058399
  H      -6.903359      9.576535      2.768243
  H     -10.213118      7.118619      0.673256
  H     -10.333992      4.740220     -0.177645
  H      -8.330938      3.254622      0.108790
  H      -6.885058      1.805356      7.224716
  H      -6.608274      1.765941      5.473528
  H      -6.543378      4.375244      5.591233
  H      -7.304750      4.218346      7.176906
  H      -8.981558      4.559847      5.372168
  H      -9.219464      2.946968      6.132743
  H     -10.917317      3.773273      4.497817
  H     -12.701643      3.127096      2.914240
  H     -10.843463      0.273341     -0.177223
  H      -8.518181     -0.694215     -0.506871
  H      -6.691018     -0.033914      1.078434
  N      -4.498708      2.414973      3.545143
  N      -5.436990      2.602175      2.524990
  H      -6.357596      2.048251      2.658425
  H      -4.995027      2.308837      1.572133
  H      -5.702499      3.623064      2.395328
103
Coordinates from ORCA-job orca E -6485.316745836420
  N      -3.206543      0.313300      5.087157
  Mo     -3.683528      2.237071      5.135985
  N      -4.993655      2.493748      6.565375
  C      -4.536912      2.699088      7.941412
  C      -3.356466      1.771374      8.206737
  N      -2.383657      1.913536      7.101512
  C      -1.591636      0.690110      6.868009
  C      -2.436899     -0.327938      6.142027
  C      -1.491179      3.082939      7.279277
  C      -1.225653      3.641637      5.885384
  N      -2.496394      3.891289      5.222587
  H      -1.785056     -1.114148      5.733617
  H      -3.119116     -0.836701      6.843565
  H      -0.747403      0.974230      6.232079
  H      -1.183590      0.290436      7.813898
  H      -0.621217      4.561900      5.950288
  H      -0.635410      2.917403      5.299891
  H      -2.018438      3.837064      7.880068
  H      -0.575936      2.797179      7.829507
  H      -5.340774      2.476059      8.654576
  H      -4.241652      3.744634      8.114238
  H      -3.718130      0.737515      8.204244
  H      -2.876402      1.970540      9.181822
  C      -3.866497     -0.674675      4.223392
  C      -2.970731     -1.199764      3.090014
  C      -2.908543     -0.277479      1.890193
  O      -4.233198     -0.249127      1.254339
  C      -4.205848     -0.172339     -0.100921
  C      -4.163651     -1.309637     -0.867007
  C      -4.170482     -1.187518     -2.265448
  N      -4.202284     -0.041908     -2.924344
  C      -4.250926      1.088727     -2.184967
  C      -4.286088      2.342333     -2.834391
  C      -4.368792      3.493771     -2.082069
  C      -4.425862      3.392527     -0.682580
  N      -4.378166      2.237636     -0.040651
  C      -4.278446      1.088781     -0.762501
  C      -2.982520      5.247644      5.448863
  C      -4.141180      5.633407      4.540437
  C      -3.743027      5.728238      3.075016
  O      -4.881271      5.495127      2.197883
  C      -5.879283      6.408629      2.133265
  C      -5.824915      7.711930      2.597485
  C      -6.959977      8.540996      2.425473
  N      -8.103947      8.177361      1.850683
  C      -8.171991      6.893686      1.390204
  C      -9.364430      6.438364      0.763579
  C      -9.428737      5.144598      0.293473
  C      -8.304225      4.298619      0.461193
  N      -7.173831      4.676257      1.056796
  C      -7.093140      5.958797      1.506496
  C      -6.433726      2.368248      6.355834
  C      -7.168051      3.698779      6.183271
  C      -8.518544      3.567308      5.520396
  O      -8.285694      2.914104      4.268990
  C      -9.343381      2.601888      3.493953
  C     -10.616618      3.058264      3.656626
  C     -11.599469      2.660838      2.724077
  N     -11.426875      1.856094      1.693678
  C     -10.192042      1.372407      1.539778
  C      -9.951052      0.490384      0.473544
  C      -8.715888     -0.005491      0.321349
  C      -7.706964      0.394420      1.223039
  N      -7.885254      1.225076      2.225085
  C      -9.106151      1.712823      2.400447
  H      -4.186220     -1.525214      4.846810
  H      -4.781541     -0.242983      3.801125
  H      -1.938928     -1.342204      3.461503
  H      -3.331137     -2.191816      2.759039
  H      -2.173046     -0.642480      1.159877
  H      -2.657143      0.758489      2.177356
  H      -4.125530     -2.293119     -0.388128
  H      -4.137178     -2.093362     -2.868382
  H      -4.260734      2.359295     -3.918715
  H      -4.404343      4.479126     -2.542576
  H      -4.536835      4.289695     -0.060776
  H      -2.146503      5.954975      5.287328
  H      -3.307489      5.402777      6.498238
  H      -4.575653      6.575147      4.897794
  H      -4.922522      4.863717      4.623004
  H      -3.049015      4.916285      2.817410
  H      -3.273307      6.690750      2.824337
  H      -4.934184      8.115313      3.084499
  H      -6.908998      9.570330      2.791002
  H     -10.201784      7.132605      0.668881
  H     -10.330033      4.765149     -0.197473
  H      -8.333204      3.272794      0.087528
  H      -6.881382      1.810089      7.189303
  H      -6.599089      1.775946      5.460406
  H      -6.547775      4.349598      5.575274
  H      -7.314530      4.198816      7.134125
  H      -8.984194      4.544582      5.349898
  H      -9.209764      2.963280      6.103209
  H     -10.875181      3.724864      4.470201
  H     -12.594598      3.044610      2.850445
  H     -10.765994      0.224226     -0.199978
  H      -8.498742     -0.690290     -0.481812
  H      -6.710745      0.019956      1.120077
  N      -4.487077      2.424655      3.531719
  N      -5.447557      2.614240      2.531524
  H      -6.366727      2.053889      2.681687
  H      -5.020358      2.324622      1.575916
  H      -5.713464      3.643728      2.408188
103
Coordinates from ORCA-job orca E -6485.320855418174
  N      -3.217417      0.301832      5.083296
  Mo     -3.693371      2.227256      5.126536
  N      -5.006453      2.488642      6.558781
  C      -4.546797      2.698065      7.930797
  C      -3.369099      1.771468      8.196412
  N      -2.398368      1.909882      7.092154
  C      -1.608453      0.686944      6.863931
  C      -2.454106     -0.332910      6.139041
  C      -1.507562      3.080624      7.265331
  C      -1.238646      3.633494      5.872910
  N      -2.507484      3.879439      5.207854
  H      -1.803075     -1.114690      5.736218
  H      -3.136880     -0.838635      6.835019
  H      -0.762560      0.967161      6.229469
  H      -1.204225      0.290343      7.810927
  H      -0.637192      4.550270      5.937173
  H      -0.649969      2.912048      5.293923
  H      -2.034705      3.832771      7.859069
  H      -0.594421      2.798144      7.815859
  H      -5.351575      2.478156      8.647498
  H      -4.248649      3.746056      8.098851
  H      -3.730709      0.737946      8.199146
  H      -2.888618      1.975434      9.168775
  C      -3.870188     -0.689859      4.219241
  C      -2.950245     -1.209042      3.094734
  C      -2.880878     -0.279551      1.897894
  O      -4.204817     -0.261320      1.237647
  C      -4.159313     -0.178927     -0.121138
  C      -4.091973     -1.290038     -0.895749
  C      -4.081850     -1.155246     -2.301812
  N      -4.117047     -0.022701     -2.957472
  C      -4.192694      1.086641     -2.208825
  C      -4.239269      2.335777     -2.862255
  C      -4.359064      3.491856     -2.099789
  C      -4.445600      3.393788     -0.682593
  N      -4.384992      2.232086     -0.033716
  C      -4.244212      1.079760     -0.772268
  C      -2.995678      5.233591      5.428376
  C      -4.159124      5.620257      4.524034
  C      -3.764234      5.713073      3.062388
  O      -4.897289      5.478497      2.191782
  C      -5.888810      6.395680      2.124192
  C      -5.832121      7.708240      2.574740
  C      -6.959090      8.536963      2.396908
  N      -8.090018      8.165552      1.830586
  C      -8.162337      6.871067      1.383332
  C      -9.345646      6.400512      0.764727
  C      -9.411201      5.093736      0.307746
  C      -8.298195      4.257182      0.481567
  N      -7.176707      4.645279      1.070470
  C      -7.096154      5.937259      1.506201
  C      -6.446465      2.369093      6.375638
  C      -7.160756      3.715265      6.219399
  C      -8.523361      3.582946      5.569578
  O      -8.308595      2.927839      4.296263
  C      -9.377945      2.635321      3.536217
  C     -10.665510      3.115142      3.721220
  C     -11.668107      2.737557      2.802386
  N     -11.492528      1.931234      1.763094
  C     -10.234829      1.425132      1.585145
  C      -9.981777      0.535893      0.499999
  C      -8.706512      0.009586      0.311412
  C      -7.682399      0.385558      1.201668
  N      -7.876044      1.226288      2.230244
  C      -9.133268      1.743654      2.434862
  H      -4.193301     -1.543733      4.840393
  H      -4.784230     -0.262203      3.786385
  H      -1.917136     -1.344171      3.483040
  H      -3.298780     -2.211070      2.753769
  H      -2.121513     -0.638562      1.170824
  H      -2.639224      0.769481      2.198823
  H      -4.045930     -2.267338     -0.426426
  H      -4.031319     -2.040468     -2.912290
  H      -4.194051      2.351852     -3.959584
  H      -4.403386      4.477379     -2.567241
  H      -4.587323      4.296545     -0.055926
  H      -2.163736      5.938077      5.264377
  H      -3.316946      5.389209      6.475399
  H      -4.592799      6.560887      4.880360
  H      -4.936196      4.852789      4.610081
  H      -3.074495      4.901307      2.813496
  H      -3.294172      6.674598      2.806889
  H      -4.945122      8.116111      3.053670
  H      -6.908460      9.574615      2.750008
  H     -10.176319      7.092099      0.664391
  H     -10.303463      4.698104     -0.176644
  H      -8.331958      3.223338      0.118514
  H      -6.889137      1.812190      7.222043
  H      -6.630198      1.771953      5.477515
  H      -6.535567      4.376835      5.590250
  H      -7.285031      4.223683      7.194343
  H      -8.976376      4.570144      5.409299
  H      -9.221766      2.969382      6.167068
  H     -10.917705      3.785160      4.543486
  H     -12.677482      3.135297      2.942642
  H     -10.809293      0.286060     -0.163008
  H      -8.482175     -0.684614     -0.510658
  H      -6.664417     -0.014701      1.076543
  N      -4.490515      2.408641      3.515031
  N      -5.443826      2.593399      2.511278
  H      -6.343051      2.055255      2.643172
  H      -5.033849      2.319697      1.571419
  H      -5.702423      3.576881      2.377313
103
Coordinates from ORCA-job orca E -6485.321294356335
  N      -3.214221      0.294290      5.094778
  Mo     -3.689632      2.224485      5.142415
  N      -5.005650      2.489215      6.579235
  C      -4.553124      2.700131      7.955924
  C      -3.372087      1.766852      8.219908
  N      -2.394052      1.905196      7.108118
  C      -1.597906      0.671884      6.879712
  C      -2.444764     -0.357540      6.156998
  C      -1.498628      3.083780      7.276462
  C      -1.225326      3.635719      5.878940
  N      -2.501915      3.884192      5.216008
  H      -1.775839     -1.153961      5.749669
  H      -3.142105     -0.873585      6.865360
  H      -0.745161      0.953601      6.239127
  H      -1.194331      0.275367      7.828446
  H      -0.617712      4.560117      5.938257
  H      -0.632020      2.904796      5.297835
  H      -2.028732      3.841855      7.872941
  H      -0.583037      2.800821      7.825397
  H      -5.364189      2.479305      8.677504
  H      -4.256051      3.755878      8.122704
  H      -3.735581      0.726490      8.222749
  H      -2.892984      1.969742      9.193431
  C      -3.868949     -0.689897      4.226252
  C      -2.948715     -1.194514      3.102314
  C      -2.873436     -0.266633      1.902372
  O      -4.172540     -0.269996      1.242091
  C      -4.140278     -0.184715     -0.130177
  C      -4.041507     -1.340328     -0.932266
  C      -4.042697     -1.211609     -2.351121
  N      -4.129262     -0.035939     -2.990431
  C      -4.233349      1.113045     -2.218470
  C      -4.315391      2.388668     -2.856707
  C      -4.412101      3.519407     -2.093270
  C      -4.455354      3.383556     -0.689045
  N      -4.381982      2.218604     -0.044010
  C      -4.256050      1.090864     -0.779258
  C      -2.989689      5.248247      5.432086
  C      -4.156643      5.632117      4.524443
  C      -3.760201      5.708337      3.056972
  O      -4.897300      5.474338      2.186123
  C      -5.885225      6.388239      2.113074
  C      -5.832624      7.690794      2.554563
  C      -6.963125      8.518929      2.375325
  N      -8.095511      8.157306      1.814852
  C      -8.160170      6.874552      1.375734
  C      -9.342713      6.416630      0.765557
  C      -9.401717      5.119026      0.321083
  C      -8.280983      4.273665      0.497447
  N      -7.161569      4.651832      1.076420
  C      -7.088869      5.937342      1.500283
  C      -6.446522      2.365749      6.384481
  C      -7.175151      3.724110      6.217583
  C      -8.532290      3.591279      5.554384
  O      -8.308423      2.931395      4.270377
  C      -9.372034      2.637578      3.512813
  C     -10.665913      3.116634      3.704798
  C     -11.678677      2.740412      2.796003
  N     -11.509108      1.931827      1.761868
  C     -10.243642      1.425045      1.577569
  C     -10.000818      0.533366      0.500638
  C      -8.724465      0.009416      0.314594
  C      -7.692167      0.389980      1.196659
  N      -7.873074      1.232813      2.212932
  C      -9.130929      1.746910      2.417308
  H      -4.194656     -1.550128      4.846574
  H      -4.780109     -0.260363      3.789058
  H      -1.931181     -1.328638      3.497709
  H      -3.287536     -2.181457      2.757761
  H      -2.122659     -0.611674      1.180977
  H      -2.643507      0.763708      2.194321
  H      -3.965075     -2.331455     -0.468344
  H      -3.967010     -2.127537     -2.981477
  H      -4.294209      2.427526     -3.947865
  H      -4.469230      4.510734     -2.552220
  H      -4.573852      4.256522     -0.067811
  H      -2.148802      5.954001      5.262294
  H      -3.315266      5.415583      6.484142
  H      -4.585420      6.583392      4.876020
  H      -4.944294      4.868336      4.615491
  H      -3.077382      4.888995      2.809135
  H      -3.280634      6.662216      2.793708
  H      -4.946893      8.094288      3.030168
  H      -6.912535      9.550864      2.724461
  H     -10.180981      7.112966      0.663378
  H     -10.296950      4.732728     -0.153697
  H      -8.312361      3.239422      0.146832
  H      -6.893601      1.803833      7.235829
  H      -6.617061      1.757883      5.473229
  H      -6.552247      4.387573      5.595595
  H      -7.310059      4.233319      7.194720
  H      -8.990548      4.591840      5.388946
  H      -9.234807      2.971049      6.154720
  H     -10.911272      3.785662      4.527770
  H     -12.690169      3.139605      2.941021
  H     -10.835994      0.280295     -0.154492
  H      -8.509639     -0.684369     -0.498912
  H      -6.676852     -0.004837      1.074092
  N      -4.497679      2.409824      3.536587
  N      -5.431086      2.593682      2.514584
  H      -6.339476      2.052062      2.636422
  H      -4.995771      2.307779      1.569737
  H      -5.686837      3.582232      2.380460
103
Coordinates from ORCA-job orca E -6485.319717593386
  N      -3.214958      0.304337      5.082969
  Mo     -3.686211      2.229939      5.128200
  N      -4.999263      2.498506      6.562363
  C      -4.545503      2.707837      7.936881
  C      -3.366812      1.771800      8.204586
  N      -2.387436      1.906012      7.096133
  C      -1.596877      0.670840      6.865465
  C      -2.448780     -0.349956      6.140908
  C      -1.488749      3.075551      7.267210
  C      -1.213910      3.630571      5.871043
  N      -2.488452      3.884379      5.205926
  H      -1.790662     -1.143626      5.732977
  H      -3.143121     -0.863487      6.844261
  H      -0.744059      0.949860      6.226231
  H      -1.192352      0.269290      7.812282
  H      -0.604339      4.553696      5.931273
  H      -0.620248      2.898713      5.288952
  H      -2.017549      3.835915      7.865242
  H      -0.573859      2.787204      7.817910
  H      -5.355718      2.491306      8.653363
  H      -4.246123      3.756903      8.104713
  H      -3.734159      0.735161      8.206877
  H      -2.888086      1.973300      9.178301
  C      -3.875508     -0.670843      4.219809
  C      -2.982956     -1.184451      3.098676
  C      -2.898817     -0.271973      1.897936
  O      -4.198722     -0.244537      1.237972
  C      -4.144039     -0.173875     -0.126734
  C      -4.053539     -1.321459     -0.912112
  C      -4.029774     -1.205766     -2.317364
  N      -4.071629     -0.060257     -2.967157
  C      -4.169630      1.083191     -2.208435
  C      -4.216961      2.337669     -2.842577
  C      -4.348950      3.480638     -2.072243
  C      -4.444619      3.373555     -0.672454
  N      -4.391098      2.226713     -0.041898
  C      -4.235495      1.084471     -0.779403
  C      -2.975874      5.252197      5.427552
  C      -4.139222      5.637010      4.521176
  C      -3.733729      5.723620      3.055603
  O      -4.875923      5.488152      2.182186
  C      -5.869678      6.410204      2.123299
  C      -5.799028      7.715799      2.580961
  C      -6.937358      8.549274      2.418319
  N      -8.102704      8.183545      1.860899
  C      -8.185124      6.897985      1.406404
  C      -9.397097      6.436359      0.797034
  C      -9.467871      5.147939      0.331804
  C      -8.330963      4.310969      0.489231
  N      -7.185314      4.689507      1.071944
  C      -7.101290      5.964871      1.513128
  C      -6.437858      2.380373      6.355931
  C      -7.163101      3.714403      6.186127
  C      -8.522888      3.566151      5.520395
  O      -8.318817      2.924230      4.269132
  C      -9.380266      2.611907      3.503638
  C     -10.685402      3.083254      3.687109
  C     -11.700215      2.696697      2.779343
  N     -11.522289      1.888740      1.749047
  C     -10.249373      1.388729      1.572379
  C     -10.007931      0.500525      0.509456
  C      -8.741737     -0.012551      0.342831
  C      -7.710168      0.373473      1.229464
  N      -7.884985      1.209629      2.225546
  C      -9.133603      1.716907      2.413361
  H      -4.198909     -1.523048      4.840478
  H      -4.783289     -0.236290      3.789612
  H      -1.975543     -1.329700      3.487566
  H      -3.335295     -2.152793      2.763009
  H      -2.162316     -0.634826      1.178880
  H      -2.648952      0.746019      2.188138
  H      -4.005491     -2.294817     -0.439760
  H      -3.965557     -2.107587     -2.930827
  H      -4.161347      2.359067     -3.928168
  H      -4.394934      4.462723     -2.519447
  H      -4.604426      4.264965     -0.036029
  H      -2.133835      5.962575      5.257828
  H      -3.303132      5.415220      6.480809
  H      -4.575188      6.584272      4.876379
  H      -4.925927      4.864982      4.607038
  H      -3.041012      4.905512      2.800202
  H      -3.258402      6.686806      2.801524
  H      -4.892392      8.118868      3.055628
  H      -6.871988      9.583626      2.780052
  H     -10.241878      7.125688      0.708976
  H     -10.381588      4.762265     -0.148330
  H      -8.367114      3.289763      0.118637
  H      -6.884329      1.822684      7.189566
  H      -6.610134      1.788463      5.455724
  H      -6.546868      4.370978      5.575512
  H      -7.297265      4.210868      7.141861
  H      -8.990945      4.528821      5.352408
  H      -9.202204      2.952804      6.100319
  H     -10.944227      3.755156      4.506137
  H     -12.728623      3.088432      2.929470
  H     -10.844084      0.243839     -0.148680
  H      -8.522833     -0.701792     -0.460091
  H      -6.690667     -0.013382      1.112487
  N      -4.497687      2.419012      3.528172
  N      -5.449232      2.608042      2.519999
  H      -6.367391      2.050983      2.661646
  H      -5.015715      2.316817      1.563252
  H      -5.720358      3.632430      2.395731
103
Coordinates from ORCA-job orca E -6485.321348976670
  N      -3.220823      0.303040      5.090177
  Mo     -3.690452      2.228598      5.132691
  N      -5.004231      2.497927      6.563911
  C      -4.546065      2.711701      7.938307
  C      -3.371064      1.777622      8.205692
  N      -2.396307      1.908865      7.099826
  C      -1.610749      0.678604      6.873520
  C      -2.461185     -0.338324      6.149077
  C      -1.499410      3.077341      7.269890
  C      -1.224597      3.625446      5.874716
  N      -2.492392      3.876546      5.207747
  H      -1.811205     -1.124152      5.747432
  H      -3.149323     -0.842130      6.845130
  H      -0.760005      0.953880      6.239312
  H      -1.210487      0.278518      7.822323
  H      -0.616845      4.542308      5.935853
  H      -0.637211      2.896390      5.296450
  H      -2.024828      3.836952      7.862182
  H      -0.587671      2.790868      7.822158
  H      -5.353651      2.496353      8.656848
  H      -4.244535      3.761751      8.103446
  H      -3.738064      0.743748      8.211082
  H      -2.890618      1.982572      9.178516
  C      -3.881296     -0.683642      4.218640
  C      -2.970800     -1.210598      3.091576
  C      -2.889970     -0.287522      1.894557
  O      -4.211319     -0.254980      1.236533
  C      -4.171171     -0.172757     -0.115667
  C      -4.099287     -1.287440     -0.883828
  C      -4.103639     -1.148738     -2.276299
  N      -4.159543     -0.004256     -2.926757
  C      -4.240275      1.110137     -2.181911
  C      -4.310978      2.372837     -2.822669
  C      -4.430816      3.522585     -2.062881
  C      -4.492046      3.406936     -0.665091
  N      -4.412968      2.238758     -0.030140
  C      -4.272517      1.091556     -0.763067
  C      -2.975580      5.235421      5.424297
  C      -4.136771      5.625298      4.520011
  C      -3.741171      5.716015      3.055932
  O      -4.880453      5.485237      2.187200
  C      -5.869499      6.407993      2.120638
  C      -5.802220      7.722335      2.569861
  C      -6.926994      8.556791      2.392772
  N      -8.069466      8.188678      1.827275
  C      -8.151895      6.893021      1.380468
  C      -9.344471      6.427915      0.761515
  C      -9.420409      5.122684      0.303659
  C      -8.308954      4.278710      0.477400
  N      -7.178398      4.662085      1.067315
  C      -7.086529      5.954342      1.504109
  C      -6.444522      2.380546      6.374765
  C      -7.160453      3.727867      6.208283
  C      -8.519838      3.577790      5.552700
  O      -8.288484      2.905530      4.271778
  C      -9.355951      2.595981      3.507003
  C     -10.629923      3.062738      3.677070
  C     -11.623309      2.670686      2.753585
  N     -11.446674      1.863856      1.719076
  C     -10.203633      1.371552      1.556060
  C      -9.948020      0.485329      0.477066
  C      -8.693180     -0.022417      0.305185
  C      -7.687465      0.367577      1.207521
  N      -7.881416      1.203825      2.226965
  C      -9.115564      1.703532      2.413183
  H      -4.212524     -1.534899      4.839753
  H      -4.789960     -0.247791      3.783226
  H      -1.943652     -1.358090      3.479572
  H      -3.331416     -2.203292      2.750215
  H      -2.138947     -0.654575      1.169154
  H      -2.636902      0.753179      2.194211
  H      -4.038400     -2.271867     -0.415878
  H      -4.047552     -2.039932     -2.883868
  H      -4.281397      2.398992     -3.907069
  H      -4.491742      4.515589     -2.519392
  H      -4.631365      4.300584     -0.038507
  H      -2.140883      5.937392      5.257833
  H      -3.295595      5.393780      6.471674
  H      -4.567332      6.568855      4.876010
  H      -4.917867      4.859405      4.606876
  H      -3.052006      4.898444      2.802463
  H      -3.266554      6.678113      2.800775
  H      -4.909833      8.127627      3.047149
  H      -6.868517      9.593853      2.745003
  H     -10.171283      7.123460      0.660278
  H     -10.317881      4.733796     -0.182221
  H      -8.349056      3.247073      0.113564
  H      -6.891280      1.825398      7.222698
  H      -6.621786      1.782395      5.479205
  H      -6.535858      4.389988      5.574251
  H      -7.291781      4.242488      7.179683
  H      -8.978926      4.573484      5.383448
  H      -9.218511      2.955739      6.162731
  H     -10.885628      3.732543      4.493365
  H     -12.627839      3.057982      2.887242
  H     -10.764975      0.226285     -0.193433
  H      -8.458976     -0.712748     -0.516753
  H      -6.674904     -0.016292      1.089903
  N      -4.497341      2.413763      3.529668
  N      -5.455858      2.600500      2.531893
  H      -6.366400      2.046596      2.673843
  H      -5.034617      2.324368      1.575223
  H      -5.724918      3.614067      2.411325
103
Coordinates from ORCA-job orca E -6485.320603654516
  N      -3.223573      0.296502      5.091946
  Mo     -3.690038      2.229848      5.133605
  N      -5.006473      2.495045      6.563767
  C      -4.550190      2.706357      7.936983
  C      -3.372411      1.776963      8.204115
  N      -2.397915      1.910242      7.098570
  C      -1.610600      0.677650      6.876123
  C      -2.462200     -0.346127      6.155611
  C      -1.500797      3.082280      7.263906
  C      -1.228451      3.624510      5.867708
  N      -2.500830      3.876137      5.203987
  H      -1.804067     -1.141273      5.755203
  H      -3.157247     -0.849278      6.858692
  H      -0.758456      0.950724      6.240090
  H      -1.211927      0.283169      7.827064
  H      -0.619864      4.539443      5.925540
  H      -0.642942      2.893650      5.292892
  H      -2.025135      3.841083      7.854277
  H      -0.586548      2.798619      7.813187
  H      -5.356495      2.486812      8.654584
  H      -4.253327      3.757066      8.102482
  H      -3.734905      0.741991      8.208802
  H      -2.893044      1.981047      9.176723
  C      -3.882079     -0.690413      4.230018
  C      -2.963657     -1.210447      3.107448
  C      -2.885034     -0.271906      1.912373
  O      -4.190215     -0.240647      1.253068
  C      -4.155804     -0.154921     -0.117162
  C      -4.059120     -1.285392     -0.913422
  C      -4.049878     -1.153718     -2.338759
  N      -4.118476      0.000011     -2.989265
  C      -4.218755      1.121860     -2.222495
  C      -4.277228      2.372488     -2.881131
  C      -4.379261      3.502326     -2.121976
  C      -4.452176      3.385246     -0.699486
  N      -4.395184      2.231892     -0.036030
  C      -4.262014      1.106655     -0.771759
  C      -2.977871      5.234025      5.420328
  C      -4.150788      5.619443      4.523345
  C      -3.771102      5.697179      3.054434
  O      -4.909744      5.468218      2.190012
  C      -5.899665      6.380647      2.123659
  C      -5.854749      7.689412      2.572057
  C      -6.983560      8.518776      2.396563
  N      -8.102623      8.155030      1.833925
  C      -8.162027      6.864610      1.387279
  C      -9.334426      6.403091      0.771776
  C      -9.389040      5.092614      0.313468
  C      -8.274818      4.242055      0.485002
  N      -7.164932      4.623243      1.072545
  C      -7.095142      5.922732      1.507556
  C      -6.447725      2.370928      6.370711
  C      -7.179269      3.709625      6.212081
  C      -8.538361      3.586563      5.562471
  O      -8.312627      2.948699      4.296896
  C      -9.369877      2.658593      3.532506
  C     -10.657881      3.129284      3.719479
  C     -11.657595      2.743260      2.802800
  N     -11.481023      1.935539      1.766864
  C     -10.224349      1.437517      1.589903
  C      -9.978987      0.539047      0.516856
  C      -8.709900      0.011340      0.336675
  C      -7.681654      0.395350      1.219329
  N      -7.867761      1.248613      2.236748
  C      -9.121318      1.765461      2.434025
  H      -4.211248     -1.543803      4.852800
  H      -4.790618     -0.253578      3.793245
  H      -1.936715     -1.360092      3.502165
  H      -3.318035     -2.205580      2.761889
  H      -2.138893     -0.624840      1.188011
  H      -2.637193      0.762056      2.209005
  H      -3.987486     -2.272437     -0.447342
  H      -3.973240     -2.059563     -2.970424
  H      -4.235313      2.396751     -3.987202
  H      -4.419586      4.480025     -2.598198
  H      -4.575539      4.257253     -0.082188
  H      -2.141511      5.931556      5.246419
  H      -3.291410      5.399906      6.469892
  H      -4.572536      6.568529      4.878584
  H      -4.934069      4.860036      4.623722
  H      -3.093392      4.877288      2.804399
  H      -3.293462      6.649561      2.788076
  H      -4.976299      8.094788      3.048295
  H      -6.941110      9.553123      2.749621
  H     -10.168824      7.104454      0.674280
  H     -10.275635      4.703750     -0.167267
  H      -8.306045      3.197861      0.125650
  H      -6.887061      1.812852      7.212274
  H      -6.622668      1.771734      5.468176
  H      -6.563379      4.365979      5.599457
  H      -7.306526      4.205306      7.176682
  H      -9.003140      4.570801      5.406713
  H      -9.230871      2.970630      6.143918
  H     -10.913883      3.797209      4.542872
  H     -12.664482      3.131978      2.943136
  H     -10.813390      0.280840     -0.136786
  H      -8.496155     -0.691245     -0.471267
  H      -6.671643     -0.005501      1.103480
  N      -4.492305      2.412634      3.523434
  N      -5.430416      2.596935      2.507451
  H      -6.330001      2.066115      2.633411
  H      -5.014499      2.314623      1.565569
  H      -5.676137      3.570149      2.368564
103
Coordinates from ORCA-job orca E -6485.320704873930
  N      -3.221723      0.294006      5.088852
  Mo     -3.691241      2.222294      5.128135
  N      -5.009663      2.496292      6.562796
  C      -4.559677      2.710561      7.939726
  C      -3.384470      1.771625      8.211153
  N      -2.402905      1.900989      7.102469
  C      -1.613570      0.664519      6.879603
  C      -2.460859     -0.359415      6.155447
  C      -1.502707      3.073926      7.270123
  C      -1.216680      3.622452      5.869531
  N      -2.487273      3.879404      5.199521
  H      -1.794500     -1.157792      5.752714
  H      -3.161530     -0.870714      6.861569
  H      -0.757754      0.941247      6.244203
  H      -1.216735      0.265579      7.830584
  H      -0.603668      4.546063      5.926672
  H      -0.623613      2.883722      5.292449
  H      -2.032441      3.838897      7.861973
  H      -0.592083      2.783974      7.825471
  H      -5.371819      2.496207      8.658032
  H      -4.259292      3.762544      8.103501
  H      -3.752895      0.734097      8.217091
  H      -2.907226      1.976232      9.185645
  C      -3.880171     -0.689222      4.219787
  C      -2.960671     -1.205957      3.100167
  C      -2.867408     -0.283807      1.901437
  O      -4.166855     -0.272432      1.232780
  C      -4.109479     -0.191003     -0.133073
  C      -3.980612     -1.342036     -0.927572
  C      -3.961649     -1.211595     -2.336528
  N      -4.048632     -0.045525     -2.976753
  C      -4.181063      1.098409     -2.212351
  C      -4.273530      2.372618     -2.847026
  C      -4.425136      3.520129     -2.079104
  C      -4.500452      3.396364     -0.676400
  N      -4.410880      2.227200     -0.039837
  C      -4.236108      1.083756     -0.778658
  C      -2.965538      5.253973      5.409585
  C      -4.129167      5.642923      4.502708
  C      -3.732559      5.710575      3.035423
  O      -4.883675      5.484044      2.175880
  C      -5.863061      6.411441      2.111425
  C      -5.782068      7.711641      2.543913
  C      -6.911702      8.547370      2.377770
  N      -8.072761      8.191586      1.839356
  C      -8.162199      6.913467      1.408765
  C      -9.370826      6.462204      0.820633
  C      -9.450693      5.175861      0.381476
  C      -8.325599      4.331381      0.544482
  N      -7.183839      4.700606      1.106173
  C      -7.091819      5.974355      1.520945
  C      -6.450392      2.375841      6.365555
  C      -7.179947      3.737220      6.192934
  C      -8.536938      3.585685      5.531632
  O      -8.315680      2.923915      4.251813
  C      -9.386460      2.608603      3.501517
  C     -10.697434      3.071888      3.695957
  C     -11.719667      2.680814      2.796403
  N     -11.546182      1.874102      1.768405
  C     -10.265489      1.381272      1.582602
  C     -10.021326      0.491990      0.517349
  C      -8.734887     -0.017494      0.336097
  C      -7.692167      0.372647      1.210351
  N      -7.872776      1.212399      2.211206
  C      -9.140328      1.715802      2.413422
  H      -4.213542     -1.543480      4.841903
  H      -4.786434     -0.256050      3.778126
  H      -1.947424     -1.347848      3.500833
  H      -3.307013     -2.189816      2.753056
  H      -2.111618     -0.641113      1.181156
  H      -2.627069      0.747675      2.199307
  H      -3.900867     -2.327634     -0.462896
  H      -3.871683     -2.112731     -2.954474
  H      -4.229328      2.405457     -3.933346
  H      -4.500007      4.515473     -2.532611
  H      -4.667072      4.287843     -0.046947
  H      -2.114358      5.955724      5.232556
  H      -3.292319      5.431541      6.464225
  H      -4.551232      6.599752      4.850349
  H      -4.924844      4.881796      4.597871
  H      -3.057072      4.883553      2.782717
  H      -3.243860      6.661835      2.769552
  H      -4.873670      8.108274      3.002914
  H      -6.838450      9.578915      2.720430
  H     -10.209631      7.157733      0.727206
  H     -10.366519      4.795814     -0.079627
  H      -8.371954      3.307235      0.197086
  H      -6.900598      1.813557      7.220070
  H      -6.619192      1.766215      5.453232
  H      -6.562412      4.403594      5.562511
  H      -7.316632      4.254819      7.171337
  H      -9.005985      4.573586      5.363019
  H      -9.224228      2.959463      6.131849
  H     -10.948681      3.741141      4.512163
  H     -12.742515      3.067703      2.943482
  H     -10.866200      0.229736     -0.130384
  H      -8.519764     -0.708169     -0.464235
  H      -6.669987     -0.011016      1.091609
  N      -4.498822      2.409417      3.522426
  N      -5.442155      2.594809      2.508140
  H      -6.346738      2.045936      2.633827
  H      -5.013234      2.315933      1.557550
  H      -5.714584      3.588078      2.383195
103
Coordinates from ORCA-job orca E -6485.320669109335
  N      -3.226318      0.306478      5.085463
  Mo     -3.692664      2.232665      5.130646
  N      -5.002154      2.504402      6.562290
  C      -4.540072      2.719622      7.934385
  C      -3.365012      1.784298      8.201079
  N      -2.391211      1.911511      7.092514
  C      -1.608261      0.677887      6.861997
  C      -2.465032     -0.338151      6.138881
  C      -1.489914      3.076053      7.260192
  C      -1.220454      3.620301      5.866504
  N      -2.491277      3.873752      5.201270
  H      -1.819426     -1.125716      5.734626
  H      -3.152794     -0.841147      6.835996
  H      -0.757610      0.951906      6.223937
  H      -1.204810      0.276364      7.808443
  H      -0.607799      4.535923      5.925496
  H      -0.636297      2.888307      5.287010
  H      -2.011378      3.836011      7.855094
  H      -0.575430      2.790370      7.808313
  H      -5.346613      2.507572      8.654567
  H      -4.236304      3.768109      8.097465
  H      -3.734468      0.750653      8.208544
  H      -2.882329      1.989180      9.172681
  C      -3.887643     -0.673665      4.226095
  C      -2.992178     -1.197910      3.107048
  C      -2.904423     -0.285909      1.905648
  O      -4.211390     -0.241128      1.239326
  C      -4.158284     -0.168897     -0.120869
  C      -4.055463     -1.302705     -0.898477
  C      -4.039276     -1.176163     -2.296004
  N      -4.105435     -0.025220     -2.942041
  C      -4.216534      1.109150     -2.188469
  C      -4.289095      2.373343     -2.818198
  C      -4.413552      3.507189     -2.054178
  C      -4.484959      3.380971     -0.666533
  N      -4.415459      2.227364     -0.040826
  C      -4.265714      1.092800     -0.771234
  C      -2.972378      5.235954      5.419527
  C      -4.133846      5.626712      4.517268
  C      -3.734980      5.715210      3.050828
  O      -4.875555      5.485265      2.182670
  C      -5.863470      6.412181      2.125615
  C      -5.781725      7.724363      2.581745
  C      -6.908203      8.567523      2.416911
  N      -8.071916      8.205850      1.854748
  C      -8.166528      6.911275      1.400689
  C      -9.374985      6.453104      0.784829
  C      -9.458887      5.156335      0.323391
  C      -8.342195      4.307601      0.488602
  N      -7.196639      4.683922      1.073713
  C      -7.096557      5.968552      1.513487
  C      -6.440550      2.384897      6.367233
  C      -7.155037      3.722653      6.196567
  C      -8.519669      3.572193      5.539201
  O      -8.308706      2.904684      4.270810
  C      -9.373475      2.595098      3.504085
  C     -10.662914      3.073418      3.682732
  C     -11.657595      2.681991      2.762730
  N     -11.469735      1.862429      1.723184
  C     -10.212637      1.357099      1.551440
  C      -9.947844      0.458592      0.470796
  C      -8.693083     -0.055482      0.302204
  C      -7.694435      0.341624      1.207033
  N      -7.891048      1.185580      2.221363
  C      -9.125963      1.691390      2.407851
  H      -4.212861     -1.521629      4.847966
  H      -4.793962     -0.236951      3.794820
  H      -1.980290     -1.351832      3.496464
  H      -3.353765     -2.170778      2.775411
  H      -2.164702     -0.659267      1.190509
  H      -2.644924      0.738156      2.193622
  H      -3.986436     -2.282621     -0.430435
  H      -3.958675     -2.076348     -2.909685
  H      -4.247386      2.406540     -3.895975
  H      -4.468225      4.491906     -2.501311
  H      -4.628160      4.257780     -0.035801
  H      -2.136548      5.938912      5.249823
  H      -3.288361      5.394618      6.468574
  H      -4.562920      6.573057      4.872991
  H      -4.920270      4.861050      4.605894
  H      -3.046792      4.895622      2.797252
  H      -3.259121      6.676286      2.793435
  H      -4.875535      8.124777      3.056546
  H      -6.836452      9.605847      2.776304
  H     -10.204018      7.151363      0.690579
  H     -10.366409      4.772231     -0.159956
  H      -8.388825      3.280075      0.123601
  H      -6.883923      1.833386      7.209902
  H      -6.622147      1.787753      5.474473
  H      -6.530191      4.378435      5.570305
  H      -7.282115      4.232226      7.158921
  H      -8.976850      4.554394      5.368447
  H      -9.214331      2.956701      6.146031
  H     -10.923762      3.752998      4.503507
  H     -12.671141      3.082174      2.902824
  H     -10.758964      0.196016     -0.200148
  H      -8.453630     -0.755141     -0.518374
  H      -6.684155     -0.045827      1.093386
  N      -4.507847      2.418412      3.533163
  N      -5.470612      2.604412      2.535202
  H      -6.390172      2.034738      2.682832
  H      -5.039320      2.319335      1.567511
  H      -5.748461      3.640078      2.418544
103
Coordinates from ORCA-job orca E -6485.320092591074
  N      -3.231282      0.297239      5.088378
  Mo     -3.685547      2.230222      5.127454
  N      -5.001891      2.503089      6.560577
  C      -4.547740      2.719540      7.935949
  C      -3.374853      1.781152      8.204729
  N      -2.396301      1.905754      7.095577
  C      -1.616529      0.663572      6.876022
  C      -2.477422     -0.356272      6.157511
  C      -1.492937      3.076625      7.258987
  C      -1.211332      3.620616      5.860328
  N      -2.483459      3.879266      5.198886
  H      -1.821197     -1.160952      5.759338
  H      -3.183263     -0.856106      6.863428
  H      -0.756921      0.927150      6.239878
  H      -1.225344      0.265346      7.830022
  H      -0.596213      4.535733      5.919061
  H      -0.627566      2.884613      5.282647
  H      -2.017467      3.842903      7.849187
  H      -0.581153      2.786640      7.810713
  H      -5.359817      2.506474      8.657395
  H      -4.244362      3.774280      8.097381
  H      -3.746316      0.744914      8.213205
  H      -2.894515      1.986842      9.177439
  C      -3.903514     -0.680554      4.216218
  C      -2.997525     -1.215156      3.091086
  C      -2.898693     -0.287109      1.898545
  O      -4.207363     -0.233236      1.234497
  C      -4.158470     -0.148378     -0.120805
  C      -4.057175     -1.257108     -0.900266
  C      -4.033896     -1.126178     -2.307251
  N      -4.089678      0.005444     -2.959345
  C      -4.199776      1.113478     -2.204307
  C      -4.262476      2.358242     -2.854158
  C      -4.400645      3.503843     -2.090717
  C      -4.493064      3.399680     -0.676823
  N      -4.423454      2.245691     -0.029944
  C      -4.262582      1.104691     -0.769015
  C      -2.959106      5.240487      5.417595
  C      -4.136636      5.626769      4.525489
  C      -3.759847      5.708927      3.054526
  O      -4.902191      5.481248      2.190210
  C      -5.893382      6.398769      2.126089
  C      -5.839932      7.713243      2.576407
  C      -6.965244      8.546427      2.398703
  N      -8.090377      8.181532      1.828641
  C      -8.161222      6.884378      1.380161
  C      -9.341737      6.418812      0.758754
  C      -9.408860      5.103203      0.301121
  C      -8.300415      4.254289      0.478366
  N      -7.181189      4.639328      1.071469
  C      -7.097664      5.941754      1.506679
  C      -6.441856      2.379767      6.371186
  C      -7.167085      3.719823      6.205083
  C      -8.521858      3.574858      5.551087
  O      -8.286533      2.921200      4.279998
  C      -9.346155      2.616362      3.514295
  C     -10.614929      3.076284      3.684045
  C     -11.618569      2.684707      2.771098
  N     -11.461592      1.882753      1.753964
  C     -10.221625      1.396586      1.591533
  C      -9.992070      0.509359      0.533742
  C      -8.731861      0.000287      0.356212
  C      -7.698061      0.386816      1.234217
  N      -7.871731      1.225960      2.240129
  C      -9.113533      1.727634      2.431005
  H      -4.248979     -1.529145      4.840141
  H      -4.803252     -0.231202      3.773998
  H      -1.977447     -1.380248      3.482896
  H      -3.369699     -2.199008      2.744512
  H      -2.154775     -0.656111      1.173633
  H      -2.631812      0.741923      2.202721
  H      -3.989808     -2.236120     -0.435697
  H      -3.951751     -2.019431     -2.926114
  H      -4.207506      2.375399     -3.952959
  H      -4.455269      4.484726     -2.558882
  H      -4.648068      4.290818     -0.049307
  H      -2.123518      5.940075      5.243102
  H      -3.268839      5.403342      6.469571
  H      -4.560103      6.574462      4.883649
  H      -4.918538      4.865535      4.627001
  H      -3.077766      4.888015      2.800858
  H      -3.281777      6.665001      2.792533
  H      -4.959901      8.117751      3.054972
  H      -6.918956      9.581639      2.751940
  H     -10.168526      7.120074      0.657677
  H     -10.298105      4.710943     -0.183436
  H      -8.339255      3.211643      0.120144
  H      -6.884229      1.824862      7.217021
  H      -6.613099      1.781590      5.475036
  H      -6.549187      4.377187      5.579274
  H      -7.299070      4.226647      7.168635
  H      -8.989542      4.559593      5.386497
  H      -9.211208      2.952204      6.142132
  H     -10.859922      3.740794      4.493982
  H     -12.621838      3.064547      2.905487
  H     -10.830178      0.249349     -0.117395
  H      -8.518643     -0.693328     -0.449753
  H      -6.679942     -0.003769      1.110787
  N      -4.489558      2.416480      3.521021
  N      -5.443123      2.604983      2.521381
  H      -6.346236      2.067242      2.662399
  H      -5.033343      2.332939      1.571205
  H      -5.700078      3.599518      2.392812
103
Coordinates from ORCA-job orca E -6485.320681690074
  N      -3.226657      0.293155      5.096332
  Mo     -3.693261      2.223683      5.131223
  N      -5.012856      2.500908      6.557650
  C      -4.561095      2.716144      7.931450
  C      -3.388925      1.778855      8.209108
  N      -2.410077      1.903215      7.106746
  C      -1.625524      0.669718      6.891052
  C      -2.470800     -0.348717      6.165993
  C      -1.509132      3.069878      7.271335
  C      -1.224480      3.607224      5.871427
  N      -2.490111      3.865684      5.196535
  H      -1.811230     -1.141468      5.770999
  H      -3.166567     -0.849588      6.865486
  H      -0.771849      0.941894      6.260849
  H      -1.231778      0.273405      7.843592
  H      -0.611934      4.521401      5.925240
  H      -0.637869      2.867746      5.303179
  H      -2.034012      3.835198      7.855982
  H      -0.600027      2.781054      7.829026
  H      -5.369941      2.505885      8.646045
  H      -4.260125      3.763279      8.091489
  H      -3.755847      0.746765      8.217611
  H      -2.912533      1.984421      9.182582
  C      -3.883346     -0.697180      4.228218
  C      -2.950327     -1.223916      3.111953
  C      -2.849766     -0.291647      1.915696
  O      -4.149971     -0.261406      1.247360
  C      -4.106021     -0.175569     -0.120376
  C      -3.982197     -1.312534     -0.908028
  C      -3.994395     -1.165982     -2.320406
  N      -4.109240      0.007701     -2.966715
  C      -4.229461      1.131733     -2.210915
  C      -4.342370      2.406555     -2.862253
  C      -4.472952      3.546856     -2.107784
  C      -4.513819      3.414537     -0.695780
  N      -4.405273      2.236226     -0.041077
  C      -4.250367      1.102704     -0.772113
  C      -2.955936      5.236977      5.400216
  C      -4.120119      5.631499      4.499846
  C      -3.736174      5.689867      3.031636
  O      -4.890779      5.471553      2.180063
  C      -5.867701      6.399465      2.115918
  C      -5.797191      7.705032      2.548827
  C      -6.924163      8.539757      2.381452
  N      -8.065389      8.182115      1.843009
  C      -8.144933      6.899632      1.410819
  C      -9.337833      6.448611      0.818970
  C      -9.412973      5.148663      0.373985
  C      -8.295069      4.296539      0.536524
  N      -7.166965      4.667640      1.101840
  C      -7.081112      5.955018      1.522542
  C      -6.454250      2.381445      6.356839
  C      -7.188375      3.731023      6.181397
  C      -8.546015      3.590548      5.525721
  O      -8.325758      2.940030      4.269251
  C      -9.389391      2.628426      3.515112
  C     -10.698453      3.088149      3.706712
  C     -11.705981      2.690436      2.797065
  N     -11.517744      1.881652      1.761180
  C     -10.241156      1.391642      1.581178
  C      -9.984057      0.494120      0.511085
  C      -8.699483     -0.023721      0.335712
  C      -7.668270      0.368625      1.218602
  N      -7.862256      1.220808      2.226429
  C      -9.130609      1.730156      2.422201
  H      -4.222521     -1.549039      4.850842
  H      -4.789023     -0.261926      3.781770
  H      -1.927775     -1.375161      3.519003
  H      -3.304702     -2.219492      2.759205
  H      -2.094210     -0.652031      1.196265
  H      -2.601804      0.745097      2.216270
  H      -3.884443     -2.306671     -0.440727
  H      -3.911194     -2.063537     -2.936179
  H      -4.323542      2.443910     -3.956275
  H      -4.559765      4.545878     -2.575715
  H      -4.659723      4.298782     -0.079064
  H      -2.104196      5.927063      5.216445
  H      -3.273535      5.420437      6.451404
  H      -4.529036      6.592998      4.845283
  H      -4.918832      4.880121      4.605628
  H      -3.071861      4.854489      2.778077
  H      -3.241187      6.635922      2.757109
  H      -4.899144      8.104220      3.008138
  H      -6.860577      9.573564      2.722636
  H     -10.172866      7.150858      0.725323
  H     -10.320193      4.768818     -0.089970
  H      -8.338833      3.262356      0.186258
  H      -6.900492      1.826459      7.205424
  H      -6.624336      1.772868      5.450051
  H      -6.577895      4.388809      5.560641
  H      -7.321029      4.239858      7.146759
  H      -9.014438      4.568166      5.354472
  H      -9.227623      2.977894      6.111352
  H     -10.964617      3.758238      4.528763
  H     -12.728333      3.074072      2.940976
  H     -10.821353      0.229086     -0.143234
  H      -8.477949     -0.723459     -0.465899
  H      -6.648885     -0.022361      1.107341
  N      -4.494868      2.407645      3.521022
  N      -5.435196      2.590847      2.505416
  H      -6.333032      2.047424      2.624507
  H      -5.010318      2.312495      1.558008
  H      -5.696256      3.566246      2.376922
103
Coordinates from ORCA-job orca E -6485.320959071174
  N      -3.244923      0.297208      5.084176
  Mo     -3.701118      2.229855      5.122502
  N      -5.010365      2.511484      6.561265
  C      -4.547307      2.730175      7.934017
  C      -3.376781      1.788501      8.200694
  N      -2.401229      1.907347      7.087543
  C      -1.625004      0.664341      6.861251
  C      -2.487790     -0.355019      6.142616
  C      -1.490973      3.073479      7.248771
  C      -1.213985      3.612467      5.848043
  N      -2.485936      3.873241      5.184876
  H      -1.837877     -1.155154      5.737925
  H      -3.184655     -0.856305      6.847070
  H      -0.769778      0.931592      6.221507
  H      -1.226854      0.264313      7.810298
  H      -0.593295      4.529506      5.901000
  H      -0.633073      2.869882      5.268628
  H      -2.009432      3.842006      7.842152
  H      -0.578087      2.782515      7.797821
  H      -5.355044      2.522498      8.657741
  H      -4.238703      3.780556      8.093704
  H      -3.751626      0.753974      8.211267
  H      -2.892451      1.994773      9.172142
  C      -3.910712     -0.680140      4.225931
  C      -3.008175     -1.208818      3.111228
  C      -2.904344     -0.286043      1.910897
  O      -4.200260     -0.238303      1.233520
  C      -4.121218     -0.161993     -0.135491
  C      -3.966656     -1.309908     -0.936752
  C      -3.907927     -1.191590     -2.353573
  N      -3.975050     -0.042518     -2.996210
  C      -4.135300      1.100121     -2.224354
  C      -4.200775      2.350787     -2.861266
  C      -4.368010      3.484498     -2.090226
  C      -4.491588      3.373274     -0.683057
  N      -4.430460      2.230224     -0.044522
  C      -4.235328      1.098036     -0.784224
  C      -2.955295      5.244832      5.397826
  C      -4.121863      5.636888      4.498556
  C      -3.738149      5.708531      3.027929
  O      -4.892716      5.485612      2.173506
  C      -5.870088      6.415790      2.119419
  C      -5.774798      7.718779      2.554765
  C      -6.899344      8.564187      2.398983
  N      -8.070204      8.215156      1.865526
  C      -8.175814      6.932015      1.431978
  C      -9.393157      6.487715      0.847398
  C      -9.487006      5.199875      0.406333
  C      -8.369182      4.344174      0.562730
  N      -7.220043      4.707449      1.119238
  C      -7.111277      5.984170      1.536666
  C      -6.452102      2.391720      6.376005
  C      -7.175955      3.745631      6.203614
  C      -8.543096      3.588256      5.555785
  O      -8.323025      2.909128      4.265943
  C      -9.395440      2.590707      3.518581
  C     -10.697693      3.056956      3.715667
  C     -11.704098      2.658440      2.809856
  N     -11.515714      1.841357      1.767690
  C     -10.245091      1.347261      1.579735
  C      -9.983059      0.451216      0.498696
  C      -8.714572     -0.051418      0.317962
  C      -7.701880      0.353590      1.206879
  N      -7.896455      1.197354      2.221320
  C      -9.146569      1.691541      2.422319
  H      -4.245836     -1.527696      4.848748
  H      -4.811362     -0.236836      3.789184
  H      -1.997477     -1.368477      3.509304
  H      -3.370940     -2.184951      2.773335
  H      -2.155794     -0.656901      1.197706
  H      -2.644891      0.738602      2.203329
  H      -3.892168     -2.287092     -0.473119
  H      -3.789989     -2.096787     -2.981814
  H      -4.117870      2.373820     -3.953196
  H      -4.417112      4.457807     -2.544648
  H      -4.667598      4.248739     -0.053419
  H      -2.108235      5.940754      5.218266
  H      -3.269591      5.418618      6.451578
  H      -4.539296      6.589122      4.850885
  H      -4.915094      4.879568      4.597223
  H      -3.065649      4.884075      2.773439
  H      -3.254160      6.657002      2.760513
  H      -4.858323      8.110998      3.008271
  H      -6.814795      9.597647      2.744180
  H     -10.224555      7.190321      0.758808
  H     -10.405556      4.825446     -0.052980
  H      -8.425180      3.318057      0.214311
  H      -6.896224      1.837876      7.233778
  H      -6.632796      1.781126      5.475117
  H      -6.556092      4.406102      5.560904
  H      -7.301886      4.268242      7.178802
  H      -9.008814      4.589106      5.385563
  H      -9.238186      2.959145      6.182053
  H     -10.953632      3.732252      4.538009
  H     -12.720064      3.047860      2.957958
  H     -10.805300      0.180427     -0.159641
  H      -8.484198     -0.746377     -0.495816
  H      -6.691592     -0.022062      1.088261
  N      -4.514380      2.414141      3.519560
  N      -5.467135      2.598239      2.512079
  H      -6.375175      2.038022      2.647452
  H      -5.042119      2.317179      1.553231
  H      -5.745010      3.603582      2.390060
103
Coordinates from ORCA-job orca E -6485.320502148557
  N      -3.231140      0.305022      5.080792
  Mo     -3.687203      2.232924      5.123504
  N      -5.001369      2.506699      6.551699
  C      -4.547237      2.720902      7.925053
  C      -3.376106      1.782020      8.197141
  N      -2.397780      1.905438      7.092443
  C      -1.619093      0.666212      6.870908
  C      -2.479781     -0.347149      6.146044
  C      -1.495244      3.068773      7.260353
  C      -1.214126      3.612627      5.867381
  N      -2.482703      3.873315      5.198931
  H      -1.830336     -1.145984      5.748743
  H      -3.182636     -0.845769      6.845436
  H      -0.759878      0.931116      6.237944
  H      -1.227551      0.263867      7.822860
  H      -0.599254      4.524288      5.929762
  H      -0.630301      2.879717      5.292346
  H      -2.019359      3.831630      7.849345
  H      -0.584839      2.779200      7.813913
  H      -5.359752      2.511058      8.642592
  H      -4.241984      3.771019      8.087295
  H      -3.749449      0.748836      8.204334
  H      -2.896418      1.985121      9.169888
  C      -3.898089     -0.670796      4.213901
  C      -2.996369     -1.208288      3.099194
  C      -2.887876     -0.296754      1.902706
  O      -4.193880     -0.237776      1.227705
  C      -4.139005     -0.158423     -0.123738
  C      -4.017837     -1.278362     -0.896873
  C      -4.008097     -1.146347     -2.285718
  N      -4.098329     -0.001355     -2.929486
  C      -4.225920      1.122052     -2.178569
  C      -4.327762      2.387435     -2.804465
  C      -4.469804      3.521968     -2.039542
  C      -4.526919      3.391296     -0.656201
  N      -4.430723      2.234597     -0.035146
  C      -4.267570      1.100409     -0.767966
  C      -2.960586      5.234825      5.417460
  C      -4.131736      5.622613      4.522023
  C      -3.741810      5.708153      3.053918
  O      -4.879519      5.480444      2.186049
  C      -5.867204      6.408301      2.124279
  C      -5.790117      7.726715      2.579847
  C      -6.912150      8.572759      2.408637
  N      -8.065394      8.209634      1.838590
  C      -8.159299      6.906348      1.383954
  C      -9.360804      6.441156      0.761566
  C      -9.443190      5.132763      0.301176
  C      -8.335040      4.284349      0.473749
  N      -7.194625      4.666143      1.066482
  C      -7.094212      5.960824      1.505155
  C      -6.438656      2.387804      6.355742
  C      -7.150005      3.721963      6.184359
  C      -8.506840      3.575340      5.527885
  O      -8.286912      2.912623      4.265538
  C      -9.346226      2.599217      3.496031
  C     -10.625659      3.067824      3.664861
  C     -11.630949      2.674280      2.754342
  N     -11.468321      1.861659      1.738935
  C     -10.217760      1.365353      1.575701
  C      -9.980126      0.469123      0.520163
  C      -8.719261     -0.042365      0.349004
  C      -7.692320      0.349979      1.232188
  N      -7.869764      1.192396      2.230060
  C      -9.109848      1.698972      2.415682
  H      -4.240451     -1.513097      4.837673
  H      -4.796440     -0.225787      3.770768
  H      -1.987490     -1.372426      3.495244
  H      -3.366956     -2.179512      2.760137
  H      -2.144526     -0.677017      1.188012
  H      -2.617727      0.726407      2.201720
  H      -3.930599     -2.258193     -0.432954
  H      -3.914205     -2.042241     -2.896751
  H      -4.295698      2.424838     -3.879395
  H      -4.551198      4.511541     -2.485690
  H      -4.680280      4.268987     -0.024305
  H      -2.128837      5.937024      5.245076
  H      -3.270420      5.392286      6.467246
  H      -4.558851      6.569823      4.877189
  H      -4.914191      4.858408      4.620127
  H      -3.056942      4.885974      2.803347
  H      -3.262962      6.667509      2.794100
  H      -4.893202      8.127216      3.057663
  H      -6.846001      9.613758      2.766332
  H     -10.183872      7.141894      0.663043
  H     -10.342149      4.741526     -0.184913
  H      -8.384949      3.249133      0.110891
  H      -6.884691      1.838165      7.195346
  H      -6.613208      1.795251      5.465397
  H      -6.524178      4.372510      5.558546
  H      -7.280181      4.232165      7.141763
  H      -8.966542      4.549292      5.357310
  H      -9.199389      2.961568      6.123884
  H     -10.873603      3.742329      4.471423
  H     -12.638811      3.064762      2.887244
  H     -10.813127      0.206548     -0.133502
  H      -8.498048     -0.742825     -0.454968
  H      -6.671930     -0.042679      1.113908
  N      -4.496140      2.422626      3.523478
  N      -5.459295      2.612898      2.531461
  H      -6.372907      2.058735      2.681276
  H      -5.041251      2.336413      1.569992
  H      -5.728550      3.638930      2.412080
103
Coordinates from ORCA-job orca E -6485.322215676378
  N      -3.246410      0.288280      5.102946
  Mo     -3.691935      2.225051      5.132238
  N      -5.008043      2.518558      6.564474
  C      -4.552265      2.744013      7.940373
  C      -3.386863      1.794877      8.216788
  N      -2.406772      1.902605      7.103272
  C      -1.635053      0.654113      6.888384
  C      -2.495889     -0.362905      6.171607
  C      -1.489353      3.068751      7.255169
  C      -1.198865      3.596294      5.847451
  N      -2.468962      3.863968      5.183932
  H      -1.843640     -1.167316      5.775813
  H      -3.199731     -0.856190      6.876765
  H      -0.776455      0.913501      6.251521
  H      -1.244491      0.257853      7.842788
  H      -0.571976      4.510488      5.893436
  H      -0.622365      2.842355      5.274176
  H      -2.005081      3.848714      7.840383
  H      -0.580998      2.772104      7.809104
  H      -5.364646      2.543787      8.665363
  H      -4.240507      3.797942      8.091727
  H      -3.765595      0.760385      8.234905
  H      -2.905176      2.005727      9.188387
  C      -3.915913     -0.692288      4.234575
  C      -3.001926     -1.228935      3.114364
  C      -2.883467     -0.294432      1.924424
  O      -4.172811     -0.225918      1.256711
  C      -4.121682     -0.142062     -0.106490
  C      -3.990971     -1.253077     -0.884184
  C      -3.975317     -1.112871     -2.297137
  N      -4.070472      0.037374     -2.952635
  C      -4.203883      1.142600     -2.200898
  C      -4.303289      2.402560     -2.859162
  C      -4.467807      3.549137     -2.101743
  C      -4.553244      3.432240     -0.685460
  N      -4.445957      2.257661     -0.028536
  C      -4.258240      1.119899     -0.761488
  C      -2.921928      5.242451      5.385554
  C      -4.097916      5.636006      4.496679
  C      -3.729104      5.675131      3.018501
  O      -4.898389      5.458508      2.178512
  C      -5.874029      6.391594      2.118305
  C      -5.799580      7.703299      2.551214
  C      -6.925338      8.540850      2.388000
  N      -8.066038      8.184705      1.849553
  C      -8.149212      6.897524      1.413866
  C      -9.343382      6.449826      0.819760
  C      -9.424299      5.141469      0.372069
  C      -8.312997      4.280081      0.533982
  N      -7.183897      4.649234      1.103621
  C      -7.089038      5.946234      1.526397
  C      -6.447732      2.391090      6.367173
  C      -7.184948      3.738032      6.176609
  C      -8.545401      3.581144      5.521966
  O      -8.324705      2.921905      4.266784
  C      -9.386457      2.601625      3.515541
  C     -10.678287      3.043200      3.706662
  C     -11.669850      2.640892      2.789656
  N     -11.478904      1.844931      1.746745
  C     -10.222232      1.370749      1.570473
  C      -9.958473      0.484694      0.488982
  C      -8.692766     -0.022975      0.313842
  C      -7.679550      0.373514      1.206416
  N      -7.877329      1.219042      2.223004
  C      -9.129682      1.712923      2.418799
  H      -4.264208     -1.541248      4.857045
  H      -4.813923     -0.240927      3.790195
  H      -1.987579     -1.406008      3.516238
  H      -3.377186     -2.208647      2.760466
  H      -2.144535     -0.661096      1.205212
  H      -2.612691      0.724725      2.228282
  H      -3.901111     -2.234958     -0.412706
  H      -3.883034     -1.999996     -2.910834
  H      -4.251765      2.427566     -3.959605
  H      -4.549556      4.542562     -2.575557
  H      -4.732459      4.326640     -0.063771
  H      -2.064473      5.925998      5.186472
  H      -3.226967      5.438256      6.441433
  H      -4.495684      6.607275      4.841219
  H      -4.905002      4.891030      4.618765
  H      -3.071595      4.825657      2.759991
  H      -3.222543      6.617404      2.732231
  H      -4.903349      8.100687      3.008141
  H      -6.863147      9.573551      2.729207
  H     -10.173971      7.157503      0.728280
  H     -10.332754      4.764640     -0.090222
  H      -8.359658      3.241451      0.183502
  H      -6.887714      1.844204      7.225899
  H      -6.617276      1.768706      5.465805
  H      -6.581122      4.394820      5.544904
  H      -7.312539      4.255609      7.138134
  H      -9.017057      4.555654      5.342038
  H      -9.218815      2.967270      6.111868
  H     -10.948580      3.701642      4.536061
  H     -12.685407      3.011305      2.935976
  H     -10.780951      0.218274     -0.173057
  H      -8.462971     -0.719541     -0.500356
  H      -6.666212     -0.012700      1.093023
  N      -4.495428      2.407413      3.523311
  N      -5.448289      2.590142      2.518207
  H      -6.346248      2.036793      2.650530
  H      -5.027733      2.324016      1.559616
  H      -5.718799      3.576276      2.399138
103
Coordinates from ORCA-job orca E -6485.321432552473
  N      -3.256290      0.297113      5.085915
  Mo     -3.703656      2.233356      5.114632
  N      -5.015426      2.524670      6.541662
  C      -4.554879      2.740650      7.910236
  C      -3.390978      1.796472      8.189548
  N      -2.416414      1.907655      7.089385
  C      -1.647443      0.667166      6.877095
  C      -2.507212     -0.343198      6.155986
  C      -1.507077      3.060843      7.251975
  C      -1.228466      3.591070      5.854640
  N      -2.491107      3.859115      5.179298
  H      -1.863479     -1.140588      5.763226
  H      -3.202423     -0.830361      6.854248
  H      -0.791535      0.926229      6.247552
  H      -1.257853      0.269401      7.830559
  H      -0.610802      4.493544      5.907691
  H      -0.653781      2.850238      5.288727
  H      -2.021340      3.827590      7.835126
  H      -0.598153      2.767587      7.808718
  H      -5.360954      2.540355      8.624080
  H      -4.244526      3.780888      8.067168
  H      -3.766759      0.771271      8.200591
  H      -2.909895      2.000389      9.160479
  C      -3.922530     -0.689918      4.220245
  C      -2.997015     -1.237150      3.110678
  C      -2.867693     -0.304017      1.916166
  O      -4.171980     -0.240310      1.229032
  C      -4.095013     -0.159761     -0.137849
  C      -3.916514     -1.305522     -0.933878
  C      -3.872541     -1.172023     -2.349579
  N      -3.975417     -0.011049     -2.994918
  C      -4.149046      1.122410     -2.231106
  C      -4.235110      2.376848     -2.880418
  C      -4.395245      3.505799     -2.122425
  C      -4.498555      3.389946     -0.708217
  N      -4.424519      2.238508     -0.054837
  C      -4.234181      1.109822     -0.788226
  C      -2.947730      5.227362      5.383219
  C      -4.108911      5.630424      4.484838
  C      -3.737957      5.701277      3.018575
  O      -4.894560      5.496715      2.174174
  C      -5.865011      6.428836      2.124613
  C      -5.769591      7.734272      2.552476
  C      -6.890137      8.579297      2.404389
  N      -8.051579      8.229520      1.888235
  C      -8.158235      6.945267      1.461613
  C      -9.373190      6.501000      0.893049
  C      -9.473847      5.204144      0.453000
  C      -8.360765      4.345071      0.598294
  N      -7.212565      4.708716      1.142844
  C      -7.100730      5.994169      1.556936
  C      -6.459622      2.410203      6.352003
  C      -7.183830      3.758384      6.169719
  C      -8.544731      3.605748      5.530647
  O      -8.313083      2.917072      4.259598
  C      -9.391667      2.584288      3.519562
  C     -10.701768      3.032193      3.716761
  C     -11.722230      2.619970      2.819451
  N     -11.544187      1.810183      1.788896
  C     -10.264578      1.332179      1.602153
  C     -10.015039      0.438858      0.537673
  C      -8.725554     -0.060870      0.355379
  C      -7.685443      0.344846      1.228937
  N      -7.874108      1.190916      2.230017
  C      -9.143364      1.683591      2.432038
  H      -4.275558     -1.534363      4.844189
  H      -4.819220     -0.242095      3.770467
  H      -1.977761     -1.410283      3.522116
  H      -3.372400     -2.227177      2.759815
  H      -2.102452     -0.684284      1.204781
  H      -2.598949      0.735204      2.223113
  H      -3.816316     -2.296728     -0.470243
  H      -3.740300     -2.077215     -2.973665
  H      -4.164149      2.403210     -3.976509
  H      -4.453983      4.482170     -2.589377
  H      -4.662918      4.260958     -0.089030
  H      -2.100636      5.910357      5.202912
  H      -3.258384      5.403646      6.430086
  H      -4.515480      6.582983      4.833604
  H      -4.900753      4.883072      4.588941
  H      -3.080975      4.874000      2.761636
  H      -3.249550      6.641608      2.748229
  H      -4.854246      8.126429      2.992248
  H      -6.804814      9.614697      2.741642
  H     -10.201738      7.207978      0.812935
  H     -10.396073      4.831136      0.004595
  H      -8.424345      3.314237      0.250660
  H      -6.908446      1.865426      7.205473
  H      -6.635946      1.801944      5.459588
  H      -6.567023      4.404243      5.526528
  H      -7.314447      4.286553      7.130301
  H      -9.009813      4.602031      5.349903
  H      -9.240597      2.990508      6.152849
  H     -10.960080      3.703719      4.532036
  H     -12.750342      2.994362      2.971086
  H     -10.858508      0.163548     -0.110745
  H      -8.504544     -0.755295     -0.443803
  H      -6.657917     -0.032008      1.110474
  N      -4.501528      2.416083      3.504348
  N      -5.452941      2.600380      2.498397
  H      -6.351788      2.049173      2.626282
  H      -5.032184      2.318553      1.540536
  H      -5.722922      3.587043      2.378393
103
Coordinates from ORCA-job orca E -6485.322302186535
  N      -3.254888      0.297517      5.078165
  Mo     -3.696177      2.231385      5.109923
  N      -5.008002      2.523965      6.546822
  C      -4.549198      2.748710      7.918946
  C      -3.385250      1.800084      8.193317
  N      -2.403116      1.904522      7.079804
  C      -1.638199      0.648019      6.863765
  C      -2.514403     -0.368072      6.150384
  C      -1.482789      3.066218      7.234451
  C      -1.194012      3.599809      5.833603
  N      -2.465505      3.869535      5.172342
  H      -1.865458     -1.190878      5.755998
  H      -3.235259     -0.859440      6.861281
  H      -0.771136      0.898145      6.224535
  H      -1.252828      0.247230      7.818974
  H      -0.564574      4.513640      5.886566
  H      -0.617670      2.851599      5.255683
  H      -1.998571      3.843345      7.822627
  H      -0.573972      2.769427      7.785792
  H      -5.363864      2.551110      8.644152
  H      -4.233106      3.801422      8.071561
  H      -3.768953      0.765853      8.210401
  H      -2.902430      2.009865      9.164781
  C      -3.923709     -0.669984      4.218963
  C      -3.021222     -1.212163      3.120493
  C      -2.886615     -0.303226      1.921125
  O      -4.177220     -0.229318      1.224716
  C      -4.095462     -0.152897     -0.135972
  C      -3.923656     -1.290252     -0.928108
  C      -3.882921     -1.160254     -2.327197
  N      -3.985979     -0.009800     -2.961619
  C      -4.164218      1.128193     -2.196054
  C      -4.284132      2.395920     -2.812025
  C      -4.472723      3.523699     -2.039258
  C      -4.558323      3.385779     -0.656171
  N      -4.452323      2.233189     -0.039147
  C      -4.240647      1.107370     -0.777296
  C      -2.929883      5.241792      5.392647
  C      -4.110822      5.628922      4.508172
  C      -3.738085      5.696166      3.032800
  O      -4.893099      5.467977      2.181874
  C      -5.869997      6.404584      2.126935
  C      -5.766511      7.714712      2.564326
  C      -6.882700      8.571669      2.398625
  N      -8.052987      8.225981      1.849452
  C      -8.170307      6.931688      1.413090
  C      -9.383766      6.484175      0.810410
  C      -9.482781      5.188997      0.371873
  C      -8.379427      4.331665      0.546574
  N      -7.231615      4.696501      1.117136
  C      -7.115287      5.976988      1.532496
  C      -6.445862      2.399660      6.361403
  C      -7.165528      3.737632      6.182464
  C      -8.534691      3.574056      5.536576
  O      -8.330994      2.908148      4.269605
  C      -9.384973      2.587731      3.511513
  C     -10.679179      3.060286      3.690811
  C     -11.678961      2.661151      2.784030
  N     -11.493283      1.836750      1.759837
  C     -10.226860      1.336869      1.585819
  C      -9.965737      0.436339      0.517592
  C      -8.696831     -0.067524      0.340834
  C      -7.685057      0.336616      1.227764
  N      -7.881434      1.182864      2.236561
  C      -9.131216      1.681414      2.428166
  H      -4.271437     -1.506729      4.844495
  H      -4.815046     -0.221040      3.768251
  H      -2.025454     -1.387965      3.534683
  H      -3.394243     -2.172515      2.779881
  H      -2.136402     -0.689742      1.216496
  H      -2.610311      0.713418      2.222418
  H      -3.826033     -2.266268     -0.468205
  H      -3.751469     -2.058569     -2.950056
  H      -4.229150      2.439703     -3.884292
  H      -4.568186      4.512047     -2.476173
  H      -4.747266      4.252041     -0.023406
  H      -2.088177      5.940090      5.207276
  H      -3.231641      5.410919      6.450433
  H      -4.525585      6.581595      4.863485
  H      -4.902753      4.871219      4.619776
  H      -3.067722      4.868119      2.779795
  H      -3.253028      6.644132      2.759691
  H      -4.850728      8.104615      3.025339
  H      -6.792312      9.612184      2.745271
  H     -10.203318      7.190524      0.708217
  H     -10.390865      4.808612     -0.100239
  H      -8.442300      3.301488      0.199101
  H      -6.885216      1.854912      7.215895
  H      -6.628627      1.790127      5.471405
  H      -6.547330      4.391181      5.538936
  H      -7.282997      4.258357      7.147105
  H      -9.006779      4.548615      5.361023
  H      -9.215477      2.951131      6.152744
  H     -10.932809      3.741803      4.500946
  H     -12.685609      3.055690      2.917323
  H     -10.785398      0.166001     -0.139160
  H      -8.463781     -0.764989     -0.468780
  H      -6.671524     -0.043605      1.109118
  N      -4.508978      2.416921      3.507296
  N      -5.471309      2.602725      2.510422
  H      -6.373882      2.045557      2.652208
  H      -5.057342      2.332797      1.554600
  H      -5.752978      3.606292      2.388054
103
Coordinates from ORCA-job orca E -6485.322501030397
  N      -3.250625      0.298148      5.094229
  Mo     -3.690907      2.232740      5.129487
  N      -5.003020      2.520762      6.554989
  C      -4.546797      2.738831      7.929167
  C      -3.383309      1.791541      8.206735
  N      -2.406950      1.902754      7.101140
  C      -1.637288      0.661095      6.882018
  C      -2.497999     -0.345236      6.155019
  C      -1.494538      3.059566      7.263783
  C      -1.210096      3.590640      5.863418
  N      -2.476442      3.862548      5.192786
  H      -1.856525     -1.135026      5.758416
  H      -3.190025     -0.836459      6.849352
  H      -0.781772      0.922713      6.251015
  H      -1.245725      0.258845      7.832966
  H      -0.582811      4.498003      5.915851
  H      -0.634879      2.841628      5.291998
  H      -2.009882      3.831499      7.850175
  H      -0.586039      2.764202      7.818506
  H      -5.358482      2.539228      8.647869
  H      -4.234073      3.786553      8.085430
  H      -3.763157      0.762257      8.219098
  H      -2.901378      1.995274      9.178471
  C      -3.925407     -0.681235      4.228031
  C      -3.026849     -1.232921      3.108785
  C      -2.893501     -0.312179      1.917410
  O      -4.175075     -0.203738      1.249084
  C      -4.112041     -0.131719     -0.110183
  C      -3.967176     -1.243657     -0.879279
  C      -3.948151     -1.112748     -2.284784
  N      -4.048425      0.025537     -2.946555
  C      -4.193294      1.134363     -2.201969
  C      -4.299125      2.386550     -2.857837
  C      -4.476298      3.532457     -2.099279
  C      -4.559455      3.417946     -0.689964
  N      -4.445231      2.257621     -0.043037
  C      -4.253541      1.120422     -0.771083
  C      -2.927488      5.239277      5.389496
  C      -4.098850      5.639996      4.499202
  C      -3.724770      5.682879      3.021024
  O      -4.891296      5.474847      2.179407
  C      -5.866353      6.412175      2.124947
  C      -5.784288      7.727317      2.569386
  C      -6.908341      8.573063      2.415173
  N      -8.062124      8.217013      1.871788
  C      -8.154472      6.922247      1.424764
  C      -9.359987      6.471041      0.829183
  C      -9.447706      5.163150      0.371678
  C      -8.335233      4.300608      0.521656
  N      -7.194401      4.670741      1.094432
  C      -7.091057      5.968483      1.529102
  C      -6.442699      2.396618      6.355189
  C      -7.166099      3.742429      6.163754
  C      -8.521574      3.592018      5.508698
  O      -8.291734      2.911531      4.248858
  C      -9.359766      2.584344      3.493728
  C     -10.649964      3.027105      3.682267
  C     -11.653549      2.616539      2.774891
  N     -11.476356      1.812655      1.742048
  C     -10.219448      1.337974      1.566150
  C      -9.971004      0.442421      0.502135
  C      -8.712344     -0.062016      0.333229
  C      -7.693423      0.342323      1.219511
  N      -7.879550      1.190297      2.219851
  C      -9.117733      1.686129      2.406363
  H      -4.280346     -1.522967      4.852264
  H      -4.818857     -0.225512      3.785397
  H      -2.021032     -1.424352      3.503089
  H      -3.419162     -2.199385      2.762358
  H      -2.174264     -0.699624      1.203459
  H      -2.599322      0.691149      2.212876
  H      -3.868968     -2.219695     -0.404225
  H      -3.846331     -2.001260     -2.890995
  H      -4.245171      2.409239     -3.954198
  H      -4.567067      4.519739     -2.568046
  H      -4.745578      4.311334     -0.061111
  H      -2.075419      5.920406      5.191626
  H      -3.226441      5.430290      6.441821
  H      -4.495095      6.613615      4.841901
  H      -4.907039      4.896782      4.622489
  H      -3.068352      4.825833      2.763519
  H      -3.212378      6.628044      2.734944
  H      -4.884852      8.122849      3.029434
  H      -6.841045      9.607764      2.766003
  H     -10.188188      7.179808      0.747181
  H     -10.359050      4.784282     -0.091554
  H      -8.387493      3.262478      0.162368
  H      -6.890405      1.851264      7.209645
  H      -6.610797      1.781475      5.458414
  H      -6.548010      4.389383      5.530863
  H      -7.300333      4.268192      7.121164
  H      -8.981685      4.574119      5.327749
  H      -9.213526      2.985188      6.107591
  H     -10.911841      3.691321      4.503402
  H     -12.675626      2.985226      2.925190
  H     -10.801797      0.168823     -0.151865
  H      -8.488611     -0.766454     -0.470216
  H      -6.679009     -0.044677      1.109866
  N      -4.488599      2.418790      3.521923
  N      -5.464656      2.606189      2.537458
  H      -6.371716      2.040174      2.690675
  H      -5.046680      2.335691      1.564094
  H      -5.737213      3.626939      2.431365
103
Coordinates from ORCA-job orca E -6485.322866244558
  N      -3.279976      0.289292      5.092754
  Mo     -3.700560      2.233323      5.108145
  N      -5.014940      2.545139      6.538108
  C      -4.554063      2.774560      7.911554
  C      -3.399932      1.814578      8.196898
  N      -2.417997      1.901988      7.084679
  C      -1.667006      0.639833      6.881319
  C      -2.546204     -0.368506      6.175273
  C      -1.486033      3.054287      7.233248
  C      -1.196555      3.578739      5.825420
  N      -2.461663      3.858614      5.161953
  H      -1.906399     -1.196954      5.789220
  H      -3.265375     -0.840484      6.889265
  H      -0.802429      0.878152      6.242799
  H      -1.285537      0.244114      7.840577
  H      -0.563609      4.483860      5.870838
  H      -0.630152      2.822600      5.252858
  H      -1.989988      3.840706      7.817609
  H      -0.580481      2.747548      7.787255
  H      -5.366606      2.589175      8.637630
  H      -4.230786      3.824187      8.055176
  H      -3.791074      0.785895      8.222594
  H      -2.916784      2.026534      9.167686
  C      -3.966288     -0.688548      4.221520
  C      -3.037443     -1.258675      3.112780
  C      -2.872950     -0.317086      1.927928
  O      -4.178186     -0.222942      1.230349
  C      -4.091700     -0.137936     -0.126684
  C      -3.893367     -1.254521     -0.905614
  C      -3.839970     -1.112253     -2.312965
  N      -3.957217      0.040856     -2.962748
  C      -4.153405      1.152126     -2.210560
  C      -4.250542      2.403268     -2.868336
  C      -4.429851      3.534002     -2.121102
  C      -4.546126      3.420324     -0.709225
  N      -4.460974      2.261219     -0.049120
  C      -4.247644      1.129375     -0.776262
  C      -2.903387      5.237050      5.365258
  C      -4.077517      5.635649      4.481399
  C      -3.723301      5.690985      3.007978
  O      -4.892663      5.483026      2.174797
  C      -5.862394      6.420125      2.126764
  C      -5.761363      7.730141      2.550889
  C      -6.882055      8.575268      2.404833
  N      -8.043955      8.224436      1.893306
  C      -8.155572      6.939179      1.467902
  C      -9.375579      6.497519      0.900909
  C      -9.485797      5.193637      0.460639
  C      -8.376814      4.330027      0.606115
  N      -7.224041      4.692873      1.150234
  C      -7.101620      5.984421      1.562970
  C      -6.456304      2.426011      6.347693
  C      -7.189980      3.763741      6.153370
  C      -8.554014      3.594209      5.513530
  O      -8.332664      2.923431      4.262863
  C      -9.404016      2.576410      3.526743
  C     -10.698464      3.005809      3.718106
  C     -11.699574      2.576283      2.816291
  N     -11.516180      1.764907      1.789627
  C     -10.251997      1.304802      1.609565
  C      -9.987807      0.410517      0.538421
  C      -8.701375     -0.072734      0.346637
  C      -7.676591      0.351261      1.218717
  N      -7.879132      1.202083      2.229153
  C      -9.147578      1.675653      2.439058
  H      -4.344045     -1.525387      4.849062
  H      -4.851931     -0.224242      3.760328
  H      -2.018518     -1.458631      3.531220
  H      -3.436655     -2.246897      2.748468
  H      -2.099644     -0.706944      1.217014
  H      -2.586369      0.723917      2.253334
  H      -3.782694     -2.243191     -0.440828
  H      -3.685333     -2.008045     -2.928609
  H      -4.169300      2.426666     -3.964875
  H      -4.494470      4.510881     -2.597056
  H      -4.726188      4.299188     -0.097329
  H      -2.047407      5.915279      5.165680
  H      -3.203256      5.428337      6.419635
  H      -4.474453      6.595031      4.830494
  H      -4.875234      4.891536      4.603320
  H      -3.069250      4.857099      2.744278
  H      -3.231631      6.630540      2.728541
  H      -4.844341      8.121583      2.985521
  H      -6.797089      9.608638      2.738542
  H     -10.201729      7.207934      0.822344
  H     -10.414055      4.822401      0.014148
  H      -8.447325      3.296270      0.262041
  H      -6.897767      1.888396      7.204645
  H      -6.631630      1.805307      5.458836
  H      -6.587931      4.411602      5.509356
  H      -7.314988      4.290751      7.106278
  H      -9.032691      4.564983      5.328421
  H      -9.223395      2.981933      6.116358
  H     -10.963351      3.677953      4.531433
  H     -12.715866      2.938889      2.960377
  H     -10.819190      0.123132     -0.110231
  H      -8.465388     -0.770546     -0.464702
  H      -6.647147     -0.014944      1.091634
  N      -4.491242      2.413606      3.492956
  N      -5.453314      2.598548      2.496655
  H      -6.345318      2.048177      2.632456
  H      -5.047167      2.334449      1.537998
  H      -5.730999      3.577164      2.382755
103
Coordinates from ORCA-job orca E -6485.321970714157
  N      -3.260466      0.294843      5.079714
  Mo     -3.698171      2.229626      5.108136
  N      -5.008782      2.526056      6.539483
  C      -4.550073      2.746194      7.905699
  C      -3.389988      1.798393      8.185055
  N      -2.410112      1.900729      7.082549
  C      -1.649750      0.649173      6.869362
  C      -2.522937     -0.361222      6.150661
  C      -1.490884      3.053218      7.238925
  C      -1.206955      3.581376      5.844069
  N      -2.472434      3.853109      5.171678
  H      -1.879845     -1.173670      5.760591
  H      -3.234970     -0.847667      6.851706
  H      -0.785853      0.898201      6.237658
  H      -1.265818      0.248343      7.822703
  H      -0.581941      4.483106      5.897628
  H      -0.634855      2.838463      5.277545
  H      -2.001152      3.823366      7.822721
  H      -0.582435      2.758366      7.790978
  H      -5.361578      2.552527      8.621548
  H      -4.233130      3.788291      8.059625
  H      -3.772888      0.772436      8.198099
  H      -2.908880      2.003560      9.155278
  C      -3.926476     -0.672362      4.229541
  C      -3.029238     -1.223783      3.140996
  C      -2.871231     -0.316647      1.941636
  O      -4.141909     -0.211274      1.231466
  C      -4.051487     -0.140851     -0.137540
  C      -3.842387     -1.282695     -0.931085
  C      -3.797740     -1.156734     -2.344546
  N      -3.932815     -0.003537     -2.988122
  C      -4.143629      1.133559     -2.224498
  C      -4.294630      2.400973     -2.856849
  C      -4.506758      3.534403     -2.091186
  C      -4.584545      3.401495     -0.692233
  N      -4.454974      2.244237     -0.056643
  C      -4.222311      1.117592     -0.790711
  C      -2.929151      5.221381      5.379857
  C      -4.107347      5.616667      4.492401
  C      -3.750530      5.683100      3.018129
  O      -4.909283      5.471697      2.176666
  C      -5.877767      6.407486      2.123357
  C      -5.780608      7.716076      2.546271
  C      -6.893872      8.570881      2.382419
  N      -8.048265      8.228303      1.852857
  C      -8.158429      6.937668      1.432753
  C      -9.360584      6.496163      0.850800
  C      -9.458967      5.195612      0.421925
  C      -8.358063      4.330438      0.587927
  N      -7.220364      4.691559      1.139594
  C      -7.109867      5.978069      1.546053
  C      -6.449579      2.404286      6.355134
  C      -7.172716      3.751744      6.173428
  C      -8.540886      3.590836      5.536409
  O      -8.330503      2.911205      4.263840
  C      -9.391959      2.588483      3.518336
  C     -10.695962      3.057076      3.707442
  C     -11.707566      2.660240      2.807917
  N     -11.525086      1.844167      1.782897
  C     -10.248995      1.347762      1.600947
  C      -9.996213      0.452112      0.536465
  C      -8.714458     -0.056497      0.356321
  C      -7.681317      0.340124      1.232670
  N      -7.870633      1.184914      2.236946
  C      -9.137628      1.686461      2.435879
  H      -4.276043     -1.503089      4.855795
  H      -4.814237     -0.218106      3.777098
  H      -2.042658     -1.418184      3.567819
  H      -3.413182     -2.174374      2.797252
  H      -2.128242     -0.712232      1.245218
  H      -2.580049      0.688945      2.244710
  H      -3.722592     -2.259037     -0.465872
  H      -3.643997     -2.056070     -2.966410
  H      -4.241792      2.439296     -3.938841
  H      -4.622946      4.523451     -2.541240
  H      -4.784303      4.268844     -0.065822
  H      -2.086173      5.907799      5.193613
  H      -3.227578      5.395936      6.431231
  H      -4.515459      6.569100      4.844832
  H      -4.898264      4.869324      4.604519
  H      -3.095497      4.855361      2.761671
  H      -3.266401      6.620153      2.739667
  H      -4.869519      8.107072      2.993221
  H      -6.805553      9.612236      2.715863
  H     -10.179988      7.208933      0.751808
  H     -10.364886      4.822622     -0.037323
  H      -8.419199      3.295579      0.247239
  H      -6.895216      1.858767      7.210681
  H      -6.628528      1.793542      5.462746
  H      -6.556210      4.399639      5.522518
  H      -7.290975      4.279855      7.139230
  H      -9.009821      4.580120      5.356665
  H      -9.228692      2.969129      6.166251
  H     -10.947994      3.733609      4.520402
  H     -12.723817      3.049490      2.950164
  H     -10.829967      0.184843     -0.113660
  H      -8.494632     -0.750618     -0.443807
  H      -6.661709     -0.041871      1.111238
  N      -4.500945      2.412936      3.499984
  N      -5.464774      2.597088      2.505431
  H      -6.359224      2.039133      2.638185
  H      -5.050099      2.321243      1.548190
  H      -5.738064      3.584801      2.389540
103
Coordinates from ORCA-job orca E -6485.322675807149
  N      -3.288307      0.298080      5.081967
  Mo     -3.701900      2.240932      5.110407
  N      -5.009309      2.548663      6.540557
  C      -4.544290      2.775197      7.912836
  C      -3.390733      1.813302      8.193873
  N      -2.412950      1.901003      7.080633
  C      -1.664399      0.641531      6.864371
  C      -2.547954     -0.357044      6.148611
  C      -1.479291      3.046224      7.234771
  C      -1.190827      3.572038      5.828238
  N      -2.460325      3.862185      5.170190
  H      -1.920098     -1.167407      5.755206
  H      -3.252513     -0.832911      6.851057
  H      -0.804353      0.884971      6.224924
  H      -1.276136      0.236753      7.816817
  H      -0.546377      4.476089      5.875234
  H      -0.628390      2.808773      5.248799
  H      -1.981199      3.832221      7.824519
  H      -0.571650      2.735219      7.785419
  H      -5.357340      2.592178      8.639963
  H      -4.216549      3.823679      8.058173
  H      -3.784578      0.785865      8.218793
  H      -2.903830      2.022980      9.163734
  C      -3.977051     -0.675730      4.210854
  C      -3.069979     -1.250755      3.102115
  C      -2.897492     -0.325397      1.913682
  O      -4.181699     -0.188678      1.224044
  C      -4.080500     -0.124034     -0.135006
  C      -3.869114     -1.253986     -0.915154
  C      -3.809316     -1.122247     -2.314442
  N      -3.923827      0.019856     -2.962454
  C      -4.130203      1.143721     -2.209045
  C      -4.247260      2.396199     -2.842518
  C      -4.469755      3.522350     -2.076323
  C      -4.588828      3.393587     -0.684797
  N      -4.475947      2.248506     -0.057966
  C      -4.237849      1.127563     -0.787837
  C      -2.890243      5.251049      5.373261
  C      -4.073013      5.660769      4.503211
  C      -3.714251      5.692251      3.016160
  O      -4.898340      5.481088      2.191798
  C      -5.869132      6.429185      2.148392
  C      -5.760088      7.743000      2.589362
  C      -6.878153      8.600296      2.443199
  N      -8.053995      8.252451      1.907113
  C      -8.173481      6.956406      1.462957
  C      -9.391825      6.509043      0.870422
  C      -9.494782      5.213339      0.419350
  C      -8.389382      4.353314      0.571900
  N      -7.238086      4.716713      1.137762
  C      -7.117154      6.000506      1.564693
  C      -6.449869      2.424427      6.350263
  C      -7.171423      3.760736      6.151898
  C      -8.532629      3.599709      5.501188
  O      -8.307341      2.913539      4.237910
  C      -9.370724      2.572468      3.483933
  C     -10.680315      3.023375      3.671655
  C     -11.684910      2.593430      2.773804
  N     -11.493877      1.759744      1.752735
  C     -10.220907      1.276567      1.579278
  C      -9.965908      0.356876      0.535492
  C      -8.707749     -0.143095      0.380525
  C      -7.695533      0.286930      1.260326
  N      -7.883831      1.153878      2.238264
  C      -9.120837      1.649002      2.411680
  H      -4.358897     -1.510481      4.836961
  H      -4.857678     -0.209662      3.755095
  H      -2.066872     -1.461747      3.506016
  H      -3.480383     -2.216481      2.752846
  H      -2.158815     -0.730922      1.207523
  H      -2.588695      0.685158      2.218747
  H      -3.757351     -2.229110     -0.446745
  H      -3.658689     -2.010073     -2.925740
  H      -4.162858      2.432340     -3.923134
  H      -4.568483      4.504154     -2.526096
  H      -4.806352      4.262800     -0.052962
  H      -2.030799      5.925795      5.159126
  H      -3.171677      5.448776      6.434368
  H      -4.451650      6.641642      4.853921
  H      -4.894201      4.922466      4.644438
  H      -3.066990      4.825055      2.752540
  H      -3.191523      6.636369      2.720393
  H      -4.843619      8.131087      3.041874
  H      -6.788737      9.638448      2.795199
  H     -10.212047      7.215753      0.785855
  H     -10.408388      4.834396     -0.043630
  H      -8.455151      3.322805      0.216213
  H      -6.891248      1.889678      7.211304
  H      -6.629889      1.803606      5.467004
  H      -6.550416      4.403816      5.510188
  H      -7.302645      4.293718      7.104300
  H      -9.001280      4.580606      5.318883
  H      -9.225628      2.986096      6.116609
  H     -10.949679      3.709357      4.481973
  H     -12.715097      2.968255      2.921369
  H     -10.791426      0.063785     -0.113437
  H      -8.481328     -0.859694     -0.404984
  H      -6.686060     -0.093095      1.163567
  N      -4.492548      2.424481      3.498184
  N      -5.478245      2.612613      2.519543
  H      -6.381398      2.049035      2.677482
  H      -5.072309      2.345094      1.547897
  H      -5.760897      3.630078      2.411618
103
Coordinates from ORCA-job orca E -6485.322112488680
  N      -3.277195      0.294411      5.092269
  Mo     -3.692871      2.235615      5.105086
  N      -5.008176      2.544824      6.527440
  C      -4.551115      2.773023      7.900478
  C      -3.399361      1.816412      8.191352
  N      -2.418012      1.903909      7.086310
  C      -1.667776      0.645130      6.884404
  C      -2.546438     -0.359275      6.173214
  C      -1.489234      3.050964      7.239479
  C      -1.196241      3.571904      5.835223
  N      -2.457175      3.851981      5.162355
  H      -1.912596     -1.183481      5.790105
  H      -3.263556     -0.827122      6.881458
  H      -0.804056      0.883155      6.249923
  H      -1.288130      0.248474      7.843595
  H      -0.563746      4.472961      5.883736
  H      -0.628328      2.817588      5.268682
  H      -1.994427      3.834162      7.819406
  H      -0.586267      2.746505      7.796983
  H      -5.364915      2.588358      8.620395
  H      -4.228871      3.819201      8.045827
  H      -3.790280      0.790837      8.215325
  H      -2.918913      2.026724      9.162573
  C      -3.965391     -0.676846      4.235537
  C      -3.060595     -1.258996      3.135633
  C      -2.876920     -0.337455      1.949306
  O      -4.150915     -0.190592      1.254497
  C      -4.066571     -0.117087     -0.102698
  C      -3.862193     -1.223234     -0.867127
  C      -3.821752     -1.090725     -2.274319
  N      -3.958276      0.047509     -2.939523
  C      -4.159826      1.151542     -2.199651
  C      -4.286196      2.396971     -2.866928
  C      -4.489632      3.534958     -2.123135
  C      -4.594253      3.426883     -0.711241
  N      -4.474188      2.271221     -0.048637
  C      -4.243335      1.135878     -0.767602
  C      -2.901617      5.228276      5.355769
  C      -4.070961      5.622874      4.465210
  C      -3.713456      5.676458      2.994328
  O      -4.879041      5.472678      2.162727
  C      -5.842049      6.416486      2.117851
  C      -5.725781      7.724903      2.551782
  C      -6.845174      8.583985      2.418888
  N      -8.025728      8.245096      1.909293
  C      -8.151779      6.959415      1.473329
  C      -9.394341      6.528155      0.915396
  C      -9.519353      5.225003      0.468031
  C      -8.406647      4.348191      0.595425
  N      -7.232870      4.699442      1.136306
  C      -7.095063      5.992519      1.555139
  C      -6.447417      2.417633      6.335433
  C      -7.179119      3.758903      6.132145
  C      -8.541758      3.586851      5.494100
  O      -8.324489      2.904678      4.248552
  C      -9.395821      2.553831      3.515058
  C     -10.673228      2.978144      3.701813
  C     -11.674495      2.544676      2.804331
  N     -11.503435      1.737365      1.782467
  C     -10.250077      1.283971      1.602928
  C      -9.983130      0.397331      0.523344
  C      -8.694131     -0.073151      0.317455
  C      -7.675526      0.352365      1.192814
  N      -7.886540      1.192345      2.215700
  C      -9.149279      1.656274      2.430764
  H      -4.341718     -1.500480      4.866734
  H      -4.845695     -0.206164      3.776116
  H      -2.063733     -1.479358      3.553685
  H      -3.474729     -2.218049      2.778275
  H      -2.143584     -0.741802      1.245053
  H      -2.561593      0.665700      2.264091
  H      -3.732425     -2.201532     -0.391097
  H      -3.659310     -1.985877     -2.880955
  H      -4.213306      2.414971     -3.965559
  H      -4.583795      4.512870     -2.603030
  H      -4.795732      4.315392     -0.097190
  H      -2.052395      5.906520      5.156388
  H      -3.200623      5.418584      6.405295
  H      -4.469979      6.582453      4.804970
  H      -4.863163      4.880439      4.588760
  H      -3.059735      4.843015      2.734109
  H      -3.225233      6.614538      2.712251
  H      -4.800491      8.105572      2.986879
  H      -6.750062      9.614113      2.761893
  H     -10.222607      7.246878      0.853690
  H     -10.464860      4.861631      0.030247
  H      -8.490681      3.313666      0.244118
  H      -6.887249      1.881251      7.200360
  H      -6.619792      1.787232      5.444752
  H      -6.576838      4.403309      5.481048
  H      -7.302124      4.297142      7.086138
  H      -9.015866      4.554045      5.303669
  H      -9.210606      2.983552      6.098013
  H     -10.925945      3.648500      4.507812
  H     -12.677717      2.903398      2.944631
  H     -10.810558      0.109886     -0.125969
  H      -8.446886     -0.765296     -0.509181
  H      -6.639467     -0.007131      1.053468
  N      -4.485498      2.418540      3.492916
  N      -5.469561      2.604782      2.516723
  H      -6.364583      2.035316      2.670409
  H      -5.064705      2.346600      1.542791
  H      -5.756975      3.609280      2.418681
103
Coordinates from ORCA-job orca E -6485.324291322278
  N      -3.292992      0.288782      5.086751
  Mo     -3.697052      2.235053      5.099913
  N      -5.011128      2.554994      6.527711
  C      -4.552850      2.781657      7.897456
  C      -3.405989      1.814851      8.187120
  N      -2.418776      1.893489      7.081988
  C      -1.680443      0.623414      6.880278
  C      -2.569693     -0.376676      6.169518
  C      -1.477906      3.036903      7.230401
  C      -1.187638      3.560266      5.828719
  N      -2.450968      3.849862      5.162265
  H      -1.935199     -1.209838      5.787457
  H      -3.296648     -0.844557      6.878564
  H      -0.808523      0.850845      6.246741
  H      -1.306933      0.221876      7.839177
  H      -0.547417      4.456816      5.876384
  H      -0.627525      2.803536      5.259472
  H      -1.973934      3.822335      7.815860
  H      -0.572718      2.726053      7.780497
  H      -5.370301      2.605895      8.619063
  H      -4.220585      3.826485      8.040677
  H      -3.805751      0.790982      8.209401
  H      -2.924676      2.021644      9.158244
  C      -3.982214     -0.675452      4.223132
  C      -3.076112     -1.257780      3.128737
  C      -2.869315     -0.333448      1.944516
  O      -4.146363     -0.180172      1.222015
  C      -4.045276     -0.111284     -0.136891
  C      -3.809344     -1.227520     -0.909994
  C      -3.752848     -1.096847     -2.318580
  N      -3.901436      0.044932     -2.974904
  C      -4.137613      1.159661     -2.227868
  C      -4.294198      2.415543     -2.882910
  C      -4.521997      3.552514     -2.136181
  C      -4.616522      3.435236     -0.728286
  N      -4.482410      2.275970     -0.071557
  C      -4.231389      1.143293     -0.795355
  C      -2.881683      5.229060      5.363375
  C      -4.067972      5.634305      4.492236
  C      -3.736170      5.684896      3.010502
  O      -4.913464      5.482132      2.187587
  C      -5.881485      6.417652      2.143687
  C      -5.784952      7.732323      2.559927
  C      -6.896139      8.582605      2.401013
  N      -8.042077      8.235096      1.882378
  C      -8.152015      6.941989      1.467065
  C      -9.350935      6.502287      0.889681
  C      -9.457908      5.190518      0.459180
  C      -8.365358      4.318177      0.621206
  N      -7.227899      4.682587      1.167410
  C      -7.109598      5.980377      1.576134
  C      -6.451940      2.436196      6.338078
  C      -7.179401      3.774416      6.147296
  C      -8.543773      3.608674      5.512167
  O      -8.320993      2.928038      4.252638
  C      -9.387206      2.581536      3.512377
  C     -10.694924      3.019379      3.706361
  C     -11.700129      2.592027      2.808846
  N     -11.507621      1.774103      1.783312
  C     -10.231443      1.305044      1.601315
  C      -9.976697      0.395072      0.549552
  C      -8.704647     -0.106643      0.382771
  C      -7.673497      0.316818      1.249762
  N      -7.862099      1.181528      2.239821
  C      -9.125860      1.671614      2.432118
  H      -4.364969     -1.501609      4.851523
  H      -4.858207     -0.201071      3.758863
  H      -2.085511     -1.491675      3.562997
  H      -3.496574     -2.211976      2.762908
  H      -2.112039     -0.746975      1.246308
  H      -2.548909      0.680036      2.274880
  H      -3.678625     -2.203583     -0.441010
  H      -3.576611     -1.989217     -2.928005
  H      -4.225633      2.441039     -3.973501
  H      -4.636443      4.533754     -2.608575
  H      -4.824350      4.311748     -0.115147
  H      -2.025024      5.899888      5.157335
  H      -3.166014      5.422755      6.419585
  H      -4.456188      6.596392      4.846564
  H      -4.870369      4.899176      4.623996
  H      -3.094534      4.843129      2.742934
  H      -3.240748      6.617226      2.720285
  H      -4.877369      8.126898      2.995465
  H      -6.811154      9.623171      2.725739
  H     -10.163142      7.222112      0.792915
  H     -10.364182      4.820984      0.002675
  H      -8.431917      3.277475      0.283627
  H      -6.900334      1.897033      7.188569
  H      -6.625479      1.823138      5.451407
  H      -6.568782      4.414675      5.499639
  H      -7.302474      4.303432      7.099921
  H      -9.018130      4.589645      5.327706
  H      -9.223477      2.992886      6.130187
  H     -10.965599      3.694273      4.523846
  H     -12.733855      2.955510      2.962498
  H     -10.813474      0.105112     -0.092827
  H      -8.487843     -0.819676     -0.401962
  H      -6.656654     -0.063455      1.139452
  N      -4.477615      2.415090      3.479654
  N      -5.457938      2.599649      2.499220
  H      -6.345017      2.044257      2.641604
  H      -5.061879      2.333165      1.537266
  H      -5.732222      3.578947      2.391219
103
Coordinates from ORCA-job orca E -6485.323560059377
  N      -3.300657      0.293607      5.078626
  Mo     -3.706256      2.236217      5.103385
  N      -5.011316      2.551436      6.534399
  C      -4.542159      2.777816      7.899634
  C      -3.394831      1.814571      8.183300
  N      -2.418131      1.893933      7.075473
  C      -1.679003      0.633859      6.859580
  C      -2.567858     -0.357645      6.142092
  C      -1.478192      3.030212      7.226545
  C      -1.185933      3.549036      5.822276
  N      -2.452701      3.844575      5.159820
  H      -1.950153     -1.162425      5.752760
  H      -3.269594     -0.829070      6.833671
  H      -0.820859      0.871938      6.222934
  H      -1.290356      0.228425      7.808333
  H      -0.538150      4.446101      5.867460
  H      -0.627513      2.784982      5.249470
  H      -1.974019      3.817170      7.811244
  H      -0.572654      2.717300      7.777043
  H      -5.354113      2.602688      8.623539
  H      -4.207757      3.819517      8.042837
  H      -3.793160      0.792903      8.209727
  H      -2.907705      2.024512      9.150751
  C      -3.988969     -0.676551      4.221182
  C      -3.084980     -1.260298      3.129470
  C      -2.878863     -0.338043      1.942971
  O      -4.140746     -0.156316      1.234442
  C      -4.024958     -0.102097     -0.130413
  C      -3.737328     -1.237946     -0.911414
  C      -3.668656     -1.109649     -2.318722
  N      -3.842451      0.033870     -2.970050
  C      -4.116062      1.159604     -2.218747
  C      -4.277526      2.406811     -2.859167
  C      -4.537811      3.523517     -2.100842
  C      -4.659888      3.395383     -0.705153
  N      -4.520793      2.256089     -0.067603
  C      -4.236457      1.144536     -0.791700
  C      -2.874788      5.237034      5.355064
  C      -4.062090      5.650621      4.488050
  C      -3.718919      5.667231      2.998018
  O      -4.913721      5.459675      2.188573
  C      -5.874080      6.416276      2.142905
  C      -5.754901      7.727202      2.568418
  C      -6.869255      8.587307      2.418630
  N      -8.046296      8.244963      1.897748
  C      -8.175336      6.953214      1.471158
  C      -9.393817      6.510450      0.891051
  C      -9.498276      5.220261      0.448800
  C      -8.393416      4.363294      0.602311
  N      -7.245234      4.718618      1.160135
  C      -7.126156      5.995635      1.574035
  C      -6.451955      2.427302      6.357392
  C      -7.177029      3.772315      6.148549
  C      -8.545855      3.594870      5.508013
  O      -8.342525      2.903782      4.250583
  C      -9.400935      2.568962      3.508508
  C     -10.699467      3.031985      3.687976
  C     -11.704150      2.612620      2.792802
  N     -11.524318      1.780824      1.783542
  C     -10.256135      1.290241      1.613608
  C      -9.997878      0.384712      0.559872
  C      -8.713225     -0.109693      0.377671
  C      -7.691155      0.305579      1.253281
  N      -7.889076      1.158645      2.249276
  C      -9.149087      1.651639      2.440461
  H      -4.369511     -1.503597      4.849992
  H      -4.865057     -0.207322      3.762546
  H      -2.097741     -1.492964      3.554936
  H      -3.504703     -2.210717      2.774852
  H      -2.146957     -0.757313      1.244991
  H      -2.546213      0.655519      2.256011
  H      -3.578276     -2.210561     -0.440016
  H      -3.462360     -1.998227     -2.930284
  H      -4.187644      2.442578     -3.940325
  H      -4.660755      4.498525     -2.554489
  H      -4.901265      4.253053     -0.081928
  H      -2.012197      5.906445      5.135267
  H      -3.152575      5.440660      6.415312
  H      -4.428728      6.638256      4.834829
  H      -4.889569      4.921364      4.641921
  H      -3.083917      4.796049      2.733315
  H      -3.195706      6.604143      2.690797
  H      -4.831113      8.111742      3.009717
  H      -6.770373      9.626667      2.758178
  H     -10.214201      7.216358      0.802528
  H     -10.411472      4.846864     -0.013203
  H      -8.458591      3.340633      0.248445
  H      -6.888080      1.899503      7.232766
  H      -6.638758      1.791127      5.475831
  H      -6.565082      4.415668      5.486399
  H      -7.295367      4.318171      7.106587
  H      -9.019020      4.570589      5.314832
  H      -9.225292      2.983318      6.138441
  H     -10.952216      3.723516      4.484166
  H     -12.711718      2.997999      2.925169
  H     -10.823646      0.104284     -0.089584
  H      -8.478286     -0.807976     -0.426707
  H      -6.664479     -0.067053      1.131133
  N      -4.495363      2.418723      3.490289
  N      -5.490182      2.606067      2.521910
  H      -6.381086      2.041194      2.671375
  H      -5.091798      2.342845      1.554245
  H      -5.772912      3.602207      2.421264
103
Coordinates from ORCA-job orca E -6485.323462729733
  N      -3.296913      0.301039      5.078384
  Mo     -3.687161      2.250856      5.085975
  N      -5.000808      2.570264      6.506857
  C      -4.540777      2.803905      7.881448
  C      -3.396059      1.835594      8.178884
  N      -2.411752      1.907700      7.070099
  C      -1.676886      0.634952      6.870597
  C      -2.573605     -0.365168      6.168884
  C      -1.472284      3.045689      7.223415
  C      -1.183446      3.569775      5.819216
  N      -2.444734      3.860426      5.151839
  H      -1.947065     -1.216113      5.788363
  H      -3.305453     -0.818076      6.893310
  H      -0.808774      0.858666      6.228428
  H      -1.300915      0.236276      7.833240
  H      -0.544323      4.466143      5.870108
  H      -0.622833      2.812547      5.245728
  H      -1.970175      3.832644      7.809737
  H      -0.568405      2.731849      7.778708
  H      -5.356042      2.632413      8.606001
  H      -4.208085      3.849993      8.018909
  H      -3.796303      0.811405      8.209654
  H      -2.914529      2.048560      9.151395
  C      -4.005047     -0.663179      4.229287
  C      -3.114754     -1.281813      3.141968
  C      -2.880784     -0.368240      1.955716
  O      -4.137752     -0.148904      1.257067
  C      -4.029494     -0.105888     -0.105155
  C      -3.793254     -1.239461     -0.863883
  C      -3.736879     -1.128031     -2.269714
  N      -3.876943      0.000567     -2.943727
  C      -4.104890      1.126579     -2.212732
  C      -4.253741      2.367010     -2.877378
  C      -4.505793      3.507283     -2.136107
  C      -4.616626      3.402380     -0.737085
  N      -4.472894      2.263646     -0.079891
  C      -4.211307      1.131667     -0.786075
  C      -2.877361      5.235290      5.351469
  C      -4.053534      5.634726      4.476966
  C      -3.714759      5.697551      3.001762
  O      -4.888207      5.498489      2.181556
  C      -5.850093      6.447171      2.154983
  C      -5.716974      7.751128      2.600487
  C      -6.830979      8.627298      2.483711
  N      -8.027944      8.305445      1.974305
  C      -8.171075      7.019499      1.528014
  C      -9.424581      6.600818      0.973003
  C      -9.564659      5.304571      0.525157
  C      -8.458199      4.413389      0.645758
  N      -7.275566      4.753481      1.178170
  C      -7.119230      6.040243      1.598536
  C      -6.441913      2.437247      6.311090
  C      -7.174736      3.765948      6.101862
  C      -8.538095      3.593651      5.465887
  O      -8.306661      2.894231      4.209297
  C      -9.379900      2.533306      3.471798
  C     -10.691825      2.959513      3.671295
  C     -11.700434      2.509120      2.783298
  N     -11.509356      1.680530      1.759432
  C     -10.231639      1.222502      1.573329
  C      -9.962679      0.315695      0.513311
  C      -8.684250     -0.151229      0.331982
  C      -7.673592      0.296391      1.207616
  N      -7.877803      1.150338      2.201555
  C      -9.128286      1.615063      2.395341
  H      -4.406263     -1.470351      4.869702
  H      -4.872192     -0.179877      3.760480
  H      -2.131670     -1.541487      3.565720
  H      -3.564184     -2.221525      2.787702
  H      -2.166781     -0.806873      1.258804
  H      -2.520332      0.613420      2.265006
  H      -3.661768     -2.204895     -0.375799
  H      -3.566106     -2.023638     -2.864152
  H      -4.174624      2.385046     -3.962766
  H      -4.637223      4.485045     -2.610010
  H      -4.856302      4.287227     -0.124074
  H      -2.033034      5.909270      5.146523
  H      -3.157949      5.420802      6.404323
  H      -4.444762      6.589393      4.826148
  H      -4.845018      4.895465      4.607523
  H      -3.068694      4.867034      2.734733
  H      -3.229851      6.632339      2.716929
  H      -4.782539      8.120067      3.035731
  H      -6.719777      9.657891      2.839456
  H     -10.246207      7.327767      0.918492
  H     -10.516120      4.946885      0.093842
  H      -8.557262      3.376080      0.298637
  H      -6.882725      1.906740      7.174039
  H      -6.615319      1.808591      5.432195
  H      -6.563310      4.400908      5.451536
  H      -7.304949      4.308028      7.044501
  H      -9.015272      4.573851      5.276707
  H      -9.224802      2.983830      6.088878
  H     -10.960065      3.642382      4.479779
  H     -12.729686      2.869115      2.935671
  H     -10.788105      0.008819     -0.132380
  H      -8.441158     -0.854177     -0.471106
  H      -6.651078     -0.057900      1.092659
  N      -4.466989      2.431952      3.464547
  N      -5.468149      2.616153      2.496891
  H      -6.362083      2.036892      2.661951
  H      -5.070679      2.354956      1.514792
  H      -5.765011      3.632888      2.401036
103
Coordinates from ORCA-job orca E -6485.324320380136
  N      -3.306342      0.289183      5.090537
  Mo     -3.692196      2.236926      5.094111
  N      -5.009170      2.564244      6.515668
  C      -4.552543      2.790361      7.884714
  C      -3.413896      1.820120      8.182220
  N      -2.424680      1.889188      7.083706
  C      -1.698066      0.616034      6.886409
  C      -2.593623     -0.374097      6.172868
  C      -1.474524      3.023304      7.231569
  C      -1.172461      3.538560      5.828275
  N      -2.431028      3.840373      5.158044
  H      -1.971359     -1.206991      5.795772
  H      -3.321761     -0.831844      6.874804
  H      -0.825354      0.834758      6.256620
  H      -1.329332      0.213052      7.845729
  H      -0.522414      4.429599      5.874611
  H      -0.618031      2.773855      5.263181
  H      -1.963419      3.815259      7.812317
  H      -0.574882      2.704383      7.783937
  H      -5.372424      2.621226      8.601047
  H      -4.214603      3.830934      8.027748
  H      -3.819772      0.800893      8.205826
  H      -2.934933      2.026827      9.153606
  C      -4.004476     -0.670356      4.231180
  C      -3.110518     -1.266666      3.136398
  C      -2.870582     -0.342014      1.966272
  O      -4.137845     -0.135046      1.237232
  C      -4.037465     -0.078024     -0.113249
  C      -3.766934     -1.173160     -0.865950
  C      -3.710509     -1.050285     -2.270125
  N      -3.896520      0.072091     -2.940759
  C      -4.170212      1.172957     -2.208942
  C      -4.354221      2.413314     -2.879548
  C      -4.605899      3.550455     -2.144713
  C      -4.706189      3.448550     -0.733899
  N      -4.547648      2.298179     -0.067075
  C      -4.266458      1.162775     -0.781256
  C      -2.845768      5.229929      5.348000
  C      -4.034860      5.643788      4.483707
  C      -3.714394      5.675143      2.997353
  O      -4.905259      5.477071      2.190549
  C      -5.864950      6.421233      2.147747
  C      -5.755678      7.738272      2.563301
  C      -6.864541      8.592461      2.412342
  N      -8.020399      8.247041      1.900602
  C      -8.142104      6.953584      1.482797
  C      -9.354448      6.517560      0.911852
  C      -9.474839      5.204447      0.475775
  C      -8.384783      4.327488      0.626700
  N      -7.234985      4.686341      1.173186
  C      -7.102333      5.987621      1.585016
  C      -6.447165      2.438722      6.326020
  C      -7.173017      3.779857      6.116725
  C      -8.537811      3.599438      5.485385
  O      -8.320544      2.914988      4.241925
  C      -9.387937      2.558106      3.503898
  C     -10.677035      2.984955      3.685653
  C     -11.676012      2.545220      2.786769
  N     -11.487408      1.729257      1.765584
  C     -10.221527      1.273803      1.590215
  C      -9.956735      0.366756      0.533288
  C      -8.687151     -0.123168      0.365990
  C      -7.664719      0.310138      1.236578
  N      -7.864474      1.172826      2.232496
  C      -9.126062      1.649886      2.424872
  H      -4.392535     -1.488380      4.860881
  H      -4.875121     -0.187006      3.767881
  H      -2.133153     -1.528832      3.571873
  H      -3.553890     -2.202849      2.758566
  H      -2.120975     -0.769312      1.265935
  H      -2.521953      0.658270      2.317175
  H      -3.599414     -2.141632     -0.391259
  H      -3.486371     -1.946167     -2.871274
  H      -4.276059      2.424834     -3.975294
  H      -4.729897      4.519072     -2.630089
  H      -4.925946      4.327699     -0.128587
  H      -1.980132      5.891252      5.128850
  H      -3.123381      5.436842      6.405907
  H      -4.405949      6.618928      4.832534
  H      -4.848063      4.920311      4.632275
  H      -3.082357      4.818367      2.726225
  H      -3.208608      6.605162      2.693907
  H      -4.842992      8.129560      2.992700
  H      -6.773250      9.630573      2.736765
  H     -10.165304      7.239800      0.826173
  H     -10.391569      4.839021      0.023664
  H      -8.461582      3.287738      0.282718
  H      -6.892537      1.906662      7.189092
  H      -6.618540      1.807579      5.441202
  H      -6.566854      4.416245      5.454033
  H      -7.290120      4.328261      7.069252
  H      -9.015915      4.564489      5.293253
  H      -9.202554      2.991265      6.094231
  H     -10.945272      3.659085      4.496355
  H     -12.702722      2.898190      2.935327
  H     -10.788914      0.069418     -0.111169
  H      -8.460606     -0.839189     -0.421899
  H      -6.646557     -0.067086      1.126471
  N      -4.466664      2.420436      3.473584
  N      -5.470547      2.609791      2.518444
  H      -6.352523      2.041927      2.674555
  H      -5.088642      2.360502      1.540069
  H      -5.753152      3.601964      2.433555
103
Coordinates from ORCA-job orca E -6485.326032763585
  N      -3.326227      0.288369      5.082353
  Mo     -3.701211      2.241571      5.090508
  N      -5.011941      2.579997      6.515046
  C      -4.546172      2.814297      7.882528
  C      -3.410857      1.834442      8.180381
  N      -2.424436      1.889968      7.072063
  C      -1.705084      0.609796      6.871283
  C      -2.610690     -0.376284      6.165594
  C      -1.465600      3.017419      7.213943
  C      -1.169951      3.529986      5.806088
  N      -2.433904      3.837198      5.144569
  H      -1.996917     -1.212157      5.787929
  H      -3.336365     -0.827078      6.871158
  H      -0.836837      0.824771      6.231442
  H      -1.328383      0.206389      7.827598
  H      -0.513380      4.419762      5.846250
  H      -0.621222      2.758175      5.235539
  H      -1.949433      3.815984      7.797062
  H      -0.562838      2.693837      7.763721
  H      -5.364682      2.658197      8.610915
  H      -4.198709      3.858084      8.012559
  H      -3.823970      0.815186      8.216415
  H      -2.926279      2.046403      9.148969
  C      -4.036088     -0.672108      4.225320
  C      -3.133636     -1.289942      3.143324
  C      -2.861584     -0.364324      1.968348
  O      -4.103365     -0.114142      1.241682
  C      -3.979973     -0.075795     -0.123387
  C      -3.665496     -1.199848     -0.885024
  C      -3.600673     -1.080637     -2.296603
  N      -3.800582      0.049085     -2.968032
  C      -4.096131      1.163146     -2.235585
  C      -4.292886      2.401943     -2.903666
  C      -4.577426      3.529491     -2.168087
  C      -4.687441      3.418159     -0.763186
  N      -4.521401      2.279504     -0.096002
  C      -4.215016      1.158751     -0.803330
  C      -2.840246      5.230529      5.337848
  C      -4.035998      5.646598      4.484401
  C      -3.723654      5.665895      2.992565
  O      -4.926280      5.468333      2.198109
  C      -5.884043      6.421723      2.165098
  C      -5.760784      7.733021      2.586014
  C      -6.871852      8.595741      2.447773
  N      -8.045299      8.258285      1.944998
  C      -8.178738      6.968474      1.522459
  C      -9.399054      6.537449      0.955466
  C      -9.513939      5.240947      0.510329
  C      -8.414075      4.370090      0.650834
  N      -7.262832      4.719434      1.194429
  C      -7.134778      6.002971      1.611126
  C      -6.453761      2.463137      6.331038
  C      -7.183141      3.790103      6.121241
  C      -8.547756      3.618604      5.490776
  O      -8.332226      2.904874      4.237393
  C      -9.394339      2.551904      3.505399
  C     -10.693140      2.992562      3.691881
  C     -11.696337      2.555358      2.802210
  N     -11.513793      1.726937      1.793475
  C     -10.245264      1.257192      1.617715
  C      -9.985708      0.349962      0.564881
  C      -8.696398     -0.133480      0.374290
  C      -7.667630      0.297367      1.236250
  N      -7.867934      1.156189      2.233736
  C      -9.137565      1.634687      2.436652
  H      -4.447962     -1.484884      4.860419
  H      -4.895969     -0.181307      3.750167
  H      -2.161750     -1.572537      3.588640
  H      -3.591785     -2.222741      2.769333
  H      -2.133514     -0.807650      1.276437
  H      -2.487552      0.613711      2.302384
  H      -3.495592     -2.161466     -0.400275
  H      -3.390294     -1.961546     -2.890604
  H      -4.211942      2.424678     -3.991074
  H      -4.729791      4.501495     -2.646465
  H      -4.949469      4.290292     -0.156074
  H      -1.974762      5.888982      5.105808
  H      -3.103889      5.442050      6.399062
  H      -4.394182      6.629106      4.834867
  H      -4.857331      4.924481      4.648756
  H      -3.098469      4.802816      2.718462
  H      -3.211518      6.594226      2.680816
  H      -4.833649      8.115212      3.011026
  H      -6.768021      9.634549      2.779133
  H     -10.215110      7.254713      0.876401
  H     -10.431318      4.879303      0.055846
  H      -8.487812      3.342678      0.298413
  H      -6.897140      1.941373      7.188206
  H      -6.632787      1.838167      5.458490
  H      -6.577010      4.418441      5.469504
  H      -7.305868      4.327375      7.058697
  H      -9.016027      4.602644      5.285969
  H      -9.234027      3.019809      6.131471
  H     -10.954608      3.681312      4.490418
  H     -12.709368      2.924854      2.940718
  H     -10.816254      0.057653     -0.076380
  H      -8.462930     -0.835454     -0.428573
  H      -6.633697     -0.066961      1.105334
  N      -4.473715      2.420576      3.467119
  N      -5.475328      2.604154      2.505070
  H      -6.358339      2.035277      2.656324
  H      -5.085526      2.347859      1.533023
  H      -5.762196      3.588747      2.412150
103
Coordinates from ORCA-job orca E -6485.323524415307
  N      -3.312521      0.300077      5.069515
  Mo     -3.693955      2.249677      5.078869
  N      -5.001332      2.573070      6.505297
  C      -4.534625      2.808541      7.875105
  C      -3.399041      1.834089      8.170566
  N      -2.417277      1.898190      7.064623
  C      -1.693057      0.627889      6.856902
  C      -2.593636     -0.360528      6.146637
  C      -1.470641      3.027559      7.219688
  C      -1.180602      3.551473      5.819863
  N      -2.439363      3.850676      5.152186
  H      -1.981344     -1.191926      5.763194
  H      -3.311699     -0.814789      6.852499
  H      -0.829864      0.851552      6.218179
  H      -1.314550      0.223081      7.812480
  H      -0.534631      4.441735      5.872770
  H      -0.626782      2.793321      5.246210
  H      -1.959742      3.812398      7.808613
  H      -0.567995      2.708993      7.769990
  H      -5.349042      2.646340      8.600087
  H      -4.190774      3.850080      8.010472
  H      -3.807439      0.815109      8.201562
  H      -2.914636      2.046210      9.141408
  C      -4.019282     -0.665447      4.222996
  C      -3.131395     -1.291104      3.140740
  C      -2.869461     -0.375341      1.961933
  O      -4.113477     -0.116466      1.250094
  C      -3.995867     -0.083220     -0.109388
  C      -3.680772     -1.222401     -0.868142
  C      -3.610512     -1.112685     -2.272275
  N      -3.802817      0.013597     -2.944905
  C      -4.102446      1.141739     -2.215621
  C      -4.283170      2.372114     -2.877718
  C      -4.577543      3.497911     -2.139608
  C      -4.704657      3.392169     -0.743701
  N      -4.542021      2.265820     -0.088864
  C      -4.231546      1.147905     -0.792060
  C      -2.862331      5.229296      5.345965
  C      -4.042628      5.636039      4.475958
  C      -3.712337      5.691057      2.997305
  O      -4.893490      5.493556      2.186742
  C      -5.848347      6.450653      2.156386
  C      -5.708039      7.759380      2.585951
  C      -6.814121      8.639540      2.459295
  N      -8.005973      8.318134      1.955215
  C      -8.158132      7.026920      1.527205
  C      -9.402254      6.606222      0.974214
  C      -9.546459      5.308620      0.541179
  C      -8.451982      4.421123      0.673671
  N      -7.277181      4.760557      1.201391
  C      -7.118293      6.045506      1.608920
  C      -6.441912      2.431252      6.326304
  C      -7.178719      3.783026      6.093531
  C      -8.552281      3.577911      5.459880
  O      -8.341075      2.894407      4.215134
  C      -9.403160      2.536184      3.477917
  C     -10.723576      2.967746      3.674917
  C     -11.727300      2.522903      2.784880
  N     -11.526424      1.692521      1.765615
  C     -10.242779      1.228609      1.585283
  C      -9.973983      0.319106      0.537513
  C      -8.694857     -0.153294      0.367814
  C      -7.684700      0.289478      1.245344
  N      -7.888009      1.145491      2.228630
  C      -9.140693      1.617243      2.408963
  H      -4.420069     -1.471964      4.862041
  H      -4.883791     -0.181928      3.755912
  H      -2.158007     -1.567962      3.573375
  H      -3.591002     -2.222716      2.779254
  H      -2.155040     -0.827481      1.268431
  H      -2.488592      0.597876      2.282456
  H      -3.496387     -2.189088     -0.382979
  H      -3.372109     -2.011676     -2.868466
  H      -4.185371      2.390864     -3.958434
  H      -4.722895      4.463729     -2.611091
  H      -4.967445      4.259207     -0.134719
  H      -2.014855      5.897398      5.135890
  H      -3.136677      5.418600      6.399069
  H      -4.426430      6.596299      4.826286
  H      -4.841511      4.902333      4.611880
  H      -3.074742      4.849860      2.729650
  H      -3.220109      6.624282      2.703163
  H      -4.772669      8.129176      3.014989
  H      -6.696347      9.676073      2.802172
  H     -10.214222      7.333423      0.904695
  H     -10.487481      4.949152      0.107411
  H      -8.551207      3.386655      0.333750
  H      -6.874519      1.908393      7.223292
  H      -6.623495      1.768342      5.446446
  H      -6.572418      4.429895      5.405016
  H      -7.296113      4.357173      7.056831
  H      -9.044426      4.537112      5.267586
  H      -9.215449      2.959128      6.083667
  H     -10.995181      3.651681      4.481885
  H     -12.758346      2.884564      2.933229
  H     -10.797186      0.013859     -0.108409
  H      -8.454527     -0.856395     -0.425546
  H      -6.664831     -0.066593      1.137431
  N      -4.468239      2.432133      3.454447
  N      -5.481216      2.616878      2.498306
  H      -6.363604      2.044967      2.658986
  H      -5.098839      2.360015      1.524442
  H      -5.773952      3.614609      2.403429
103
Coordinates from ORCA-job orca E -6485.327116197776
  N      -3.323886      0.297092      5.079736
  Mo     -3.688499      2.250076      5.077693
  N      -5.004250      2.585732      6.493775
  C      -4.545813      2.810976      7.863123
  C      -3.413233      1.835942      8.167766
  N      -2.423916      1.893994      7.070918
  C      -1.709265      0.613738      6.875063
  C      -2.617973     -0.371197      6.168786
  C      -1.466080      3.016458      7.221196
  C      -1.161045      3.528831      5.815714
  N      -2.417714      3.841518      5.145733
  H      -2.006767     -1.220098      5.795233
  H      -3.353321     -0.813471      6.879851
  H      -0.837166      0.823471      6.239614
  H      -1.341421      0.209501      7.835935
  H      -0.503509      4.415474      5.861537
  H      -0.612221      2.757275      5.248467
  H      -1.949682      3.813200      7.802549
  H      -0.568416      2.688609      7.775828
  H      -5.363823      2.648294      8.576139
  H      -4.203871      3.845682      8.004592
  H      -3.823774      0.820890      8.195273
  H      -2.934748      2.043294      9.140132
  C      -4.039012     -0.656590      4.232003
  C      -3.156620     -1.285725      3.152146
  C      -2.869017     -0.369246      1.984999
  O      -4.107711     -0.091713      1.250351
  C      -3.988335     -0.062746     -0.105377
  C      -3.679186     -1.176001     -0.849892
  C      -3.608069     -1.073252     -2.255622
  N      -3.809926      0.037301     -2.938911
  C      -4.120984      1.152940     -2.217214
  C      -4.330416      2.381999     -2.890883
  C      -4.633251      3.515786     -2.160723
  C      -4.746886      3.418930     -0.758717
  N      -4.560184      2.287502     -0.093195
  C      -4.238948      1.160204     -0.792851
  C      -2.818555      5.236292      5.334448
  C      -4.010100      5.656495      4.480746
  C      -3.700064      5.676730      2.988832
  O      -4.907264      5.484887      2.199349
  C      -5.860726      6.440292      2.171613
  C      -5.729184      7.747716      2.600721
  C      -6.837437      8.617234      2.473132
  N      -8.019257      8.291392      1.967929
  C      -8.161226      7.005346      1.536227
  C      -9.398484      6.584503      0.978841
  C      -9.536664      5.286208      0.538225
  C      -8.441463      4.399984      0.667590
  N      -7.272020      4.741586      1.202002
  C      -7.120492      6.029466      1.618065
  C      -6.443303      2.454348      6.299888
  C      -7.173082      3.785253      6.086156
  C      -8.539155      3.605150      5.459145
  O      -8.315919      2.901532      4.210300
  C      -9.389207      2.531941      3.479133
  C     -10.691904      2.960160      3.666871
  C     -11.700078      2.503934      2.781290
  N     -11.512046      1.670020      1.767745
  C     -10.235199      1.213667      1.586930
  C      -9.963434      0.300535      0.531879
  C      -8.678911     -0.169937      0.352415
  C      -7.662885      0.281565      1.222227
  N      -7.871168      1.142586      2.214991
  C      -9.132924      1.608836      2.409483
  H      -4.446952     -1.456520      4.869986
  H      -4.897484     -0.162633      3.759827
  H      -2.194338     -1.581509      3.594943
  H      -3.628683     -2.202566      2.775046
  H      -2.142503     -0.823970      1.294366
  H      -2.481057      0.602846      2.331953
  H      -3.493331     -2.131725     -0.361143
  H      -3.353334     -1.973593     -2.846802
  H      -4.239716      2.391207     -3.978197
  H      -4.789595      4.478063     -2.643658
  H      -5.002930      4.289936     -0.158048
  H      -1.951594      5.890990      5.102949
  H      -3.081046      5.448519      6.395315
  H      -4.364740      6.639670      4.829422
  H      -4.832744      4.939384      4.644458
  H      -3.078499      4.809948      2.712279
  H      -3.184474      6.603490      2.674966
  H      -4.802027      8.122392      3.029027
  H      -6.729029      9.649244      2.814544
  H     -10.212403      7.309925      0.912971
  H     -10.474677      4.929716      0.100066
  H      -8.534845      3.365945      0.320203
  H      -6.886485      1.925451      7.162701
  H      -6.615686      1.822488      5.421318
  H      -6.565384      4.415468      5.424131
  H      -7.293919      4.336579      7.029963
  H      -9.018251      4.578949      5.263320
  H      -9.215536      2.998474      6.084819
  H     -10.955615      3.648641      4.465717
  H     -12.726290      2.861676      2.928127
  H     -10.792627     -0.010395     -0.109535
  H      -8.437703     -0.881373     -0.441909
  H      -6.639077     -0.078463      1.107668
  N      -4.456690      2.433425      3.453576
  N      -5.477116      2.619452      2.508274
  H      -6.360965      2.034491      2.677496
  H      -5.096059      2.369149      1.517325
  H      -5.775356      3.629309      2.432684
103
Coordinates from ORCA-job orca E -6485.324571546751
  N      -3.342443      0.287392      5.085618
  Mo     -3.700845      2.244695      5.087634
  N      -5.013370      2.595630      6.510968
  C      -4.545289      2.841093      7.877459
  C      -3.421195      1.846676      8.181716
  N      -2.430114      1.885368      7.072228
  C      -1.723294      0.596707      6.876788
  C      -2.637186     -0.379590      6.169743
  C      -1.459603      3.005926      7.208353
  C      -1.159604      3.512515      5.800947
  N      -2.420968      3.827971      5.139236
  H      -2.032975     -1.216637      5.795861
  H      -3.367092     -0.822243      6.869118
  H      -0.851172      0.800521      6.238506
  H      -1.352594      0.192032      7.834192
  H      -0.496799      4.394414      5.839499
  H      -0.618555      2.737496      5.233951
  H      -1.935733      3.810484      7.788470
  H      -0.559661      2.676737      7.757624
  H      -5.370933      2.704446      8.615204
  H      -4.181049      3.889964      7.993063
  H      -3.848660      0.829240      8.225936
  H      -2.935625      2.061109      9.149013
  C      -4.061926     -0.670020      4.230564
  C      -3.164373     -1.304499      3.149823
  C      -2.850523     -0.376417      1.988941
  O      -4.077074     -0.070955      1.258502
  C      -3.963781     -0.047776     -0.102447
  C      -3.625876     -1.157718     -0.847875
  C      -3.581300     -1.045498     -2.259320
  N      -3.822584      0.069887     -2.945342
  C      -4.133908      1.170960     -2.228371
  C      -4.359484      2.395271     -2.919328
  C      -4.647009      3.525730     -2.202045
  C      -4.743723      3.434377     -0.788749
  N      -4.553780      2.302493     -0.099017
  C      -4.236365      1.175267     -0.794342
  C      -2.819903      5.220956      5.329037
  C      -4.018934      5.634714      4.481063
  C      -3.720511      5.668224      2.994860
  O      -4.914768      5.473391      2.202818
  C      -5.868857      6.428214      2.176027
  C      -5.733441      7.746109      2.591918
  C      -6.838481      8.616111      2.459454
  N      -8.015039      8.279638      1.968433
  C      -8.162099      6.983582      1.550407
  C      -9.387907      6.556131      0.989314
  C      -9.514668      5.251843      0.541927
  C      -8.424038      4.373967      0.679717
  N      -7.266891      4.720452      1.219273
  C      -7.125720      6.010924      1.633835
  C      -6.454007      2.477772      6.332018
  C      -7.181512      3.804878      6.086345
  C      -8.547614      3.610278      5.459730
  O      -8.336517      2.888500      4.220898
  C      -9.389946      2.525805      3.489657
  C     -10.685083      2.942787      3.676985
  C     -11.675545      2.495538      2.783605
  N     -11.478884      1.680173      1.769111
  C     -10.212206      1.233172      1.593363
  C      -9.946193      0.330096      0.543253
  C      -8.673584     -0.147370      0.367897
  C      -7.648586      0.293161      1.225737
  N      -7.849451      1.155125      2.218297
  C      -9.117779      1.619559      2.416944
  H      -4.486683     -1.477123      4.867627
  H      -4.912982     -0.168362      3.751192
  H      -2.207161     -1.620532      3.601480
  H      -3.647568     -2.219867      2.761440
  H      -2.129255     -0.835167      1.295678
  H      -2.445394      0.587918      2.342444
  H      -3.429242     -2.110903     -0.355826
  H      -3.369667     -1.916148     -2.838758
  H      -4.288655      2.403243     -4.014212
  H      -4.816600      4.488862     -2.701690
  H      -5.021760      4.320727     -0.190328
  H      -1.957275      5.874976      5.092901
  H      -3.078137      5.432101      6.388528
  H      -4.383379      6.604379      4.833584
  H      -4.823936      4.912029      4.643831
  H      -3.094460      4.820502      2.721589
  H      -3.227773      6.594308      2.687255
  H      -4.798552      8.126399      3.003576
  H      -6.724576      9.659497      2.781711
  H     -10.196318      7.280696      0.913248
  H     -10.433038      4.892992      0.089271
  H      -8.509426      3.343016      0.329051
  H      -6.896019      1.979557      7.207170
  H      -6.632985      1.825541      5.473293
  H      -6.580642      4.421006      5.412160
  H      -7.297702      4.367488      7.014745
  H      -9.023774      4.581359      5.239808
  H      -9.219214      3.016342      6.102742
  H     -10.962102      3.619101      4.484508
  H     -12.698001      2.841910      2.930387
  H     -10.772841      0.029255     -0.096449
  H      -8.445869     -0.854669     -0.423282
  H      -6.619447     -0.068774      1.101442
  N      -4.473411      2.429528      3.464747
  N      -5.472578      2.615065      2.505496
  H      -6.345155      2.051814      2.648891
  H      -5.095784      2.374316      1.537610
  H      -5.757853      3.585311      2.416181
103
Coordinates from ORCA-job orca E -6485.328218256525
  N      -3.344629      0.291481      5.081294
  Mo     -3.693506      2.249466      5.077751
  N      -5.004048      2.598784      6.498785
  C      -4.537639      2.838489      7.866778
  C      -3.414646      1.848288      8.173370
  N      -2.425338      1.887807      7.068525
  C      -1.723419      0.598490      6.872349
  C      -2.642141     -0.379097      6.169612
  C      -1.454889      3.004597      7.210719
  C      -1.156396      3.515235      5.804190
  N      -2.415110      3.833108      5.141033
  H      -2.039630     -1.229330      5.796921
  H      -3.376772     -0.814837      6.878782
  H      -0.852525      0.799843      6.231958
  H      -1.353605      0.193294      7.831176
  H      -0.493196      4.397591      5.846355
  H      -0.615920      2.740901      5.233869
  H      -1.927923      3.806020      7.795942
  H      -0.555452      2.671778      7.758557
  H      -5.357885      2.696127      8.594796
  H      -4.178303      3.879008      7.990884
  H      -3.838644      0.833855      8.212969
  H      -2.931095      2.061152      9.143197
  C      -4.068819     -0.660935      4.227310
  C      -3.179857     -1.304231      3.150963
  C      -2.856134     -0.381006      1.992163
  O      -4.076079     -0.058506      1.253229
  C      -3.950787     -0.042812     -0.105147
  C      -3.589961     -1.159450     -0.846527
  C      -3.524274     -1.057195     -2.254197
  N      -3.763398      0.050126     -2.943238
  C      -4.105490      1.159980     -2.229009
  C      -4.338739      2.379850     -2.911887
  C      -4.667301      3.507981     -2.190362
  C      -4.779904      3.413355     -0.786545
  N      -4.579377      2.291049     -0.109665
  C      -4.233187      1.171689     -0.801556
  C      -2.808329      5.227199      5.327539
  C      -4.005808      5.648262      4.481028
  C      -3.711152      5.672676      2.988231
  O      -4.919301      5.482113      2.205807
  C      -5.870427      6.439263      2.180729
  C      -5.735210      7.750464      2.601088
  C      -6.839269      8.623658      2.471457
  N      -8.017885      8.297037      1.975852
  C      -8.164788      7.006241      1.555306
  C      -9.394147      6.587039      0.999053
  C      -9.529901      5.287041      0.559465
  C      -8.439874      4.399824      0.691688
  N      -7.278231      4.739726      1.224014
  C      -7.129300      6.027966      1.637366
  C      -6.444649      2.468217      6.314617
  C      -7.177330      3.800230      6.077904
  C      -8.546085      3.602821      5.453777
  O      -8.329745      2.893149      4.213891
  C      -9.395119      2.525633      3.484202
  C     -10.700130      2.952689      3.675128
  C     -11.702436      2.502936      2.786797
  N     -11.512734      1.673942      1.774508
  C     -10.238868      1.216059      1.596011
  C      -9.973046      0.306536      0.544938
  C      -8.684743     -0.165376      0.359684
  C      -7.662657      0.278978      1.224641
  N      -7.867987      1.137822      2.217729
  C      -9.133859      1.606358      2.414875
  H      -4.495733     -1.459878      4.865752
  H      -4.918766     -0.158588      3.746286
  H      -2.225216     -1.625990      3.604342
  H      -3.669098     -2.214913      2.761386
  H      -2.137885     -0.847546      1.303982
  H      -2.443824      0.575881      2.346924
  H      -3.375968     -2.110707     -0.352957
  H      -3.260677     -1.945448     -2.836332
  H      -4.249626      2.389083     -3.998122
  H      -4.847172      4.466345     -2.679717
  H      -5.066627      4.284305     -0.189681
  H      -1.943456      5.876955      5.089261
  H      -3.060996      5.441380      6.387535
  H      -4.359023      6.627462      4.833138
  H      -4.823625      4.932149      4.648836
  H      -3.092551      4.812372      2.708347
  H      -3.205170      6.597181      2.671847
  H      -4.804547      8.126018      3.019436
  H      -6.725335      9.661637      2.801926
  H     -10.202173      7.315956      0.926326
  H     -10.456849      4.934395      0.115631
  H      -8.529766      3.367521      0.343990
  H      -6.885290      1.955215      7.191984
  H      -6.622040      1.817747      5.446173
  H      -6.574796      4.425271      5.400803
  H      -7.295328      4.366387      7.016372
  H      -9.029881      4.568815      5.247662
  H      -9.215382      2.998779      6.088164
  H     -10.967901      3.638792      4.476580
  H     -12.724328      2.861872      2.931139
  H     -10.802300      0.002032     -0.095582
  H      -8.445382     -0.870033     -0.439796
  H      -6.629912     -0.077519      1.098878
  N      -4.453762      2.430328      3.448294
  N      -5.478262      2.613583      2.505781
  H      -6.355974      2.030377      2.670646
  H      -5.100723      2.366218      1.517615
  H      -5.775472      3.610587      2.431569
103
Coordinates from ORCA-job orca E -6485.324951140276
  N      -3.330491      0.306853      5.063984
  Mo     -3.690590      2.260269      5.064715
  N      -5.010057      2.592618      6.474354
  C      -4.551682      2.805494      7.840046
  C      -3.423001      1.834736      8.148956
  N      -2.433069      1.894584      7.062769
  C      -1.724661      0.617883      6.868144
  C      -2.636422     -0.358772      6.160179
  C      -1.476161      3.007312      7.220495
  C      -1.159740      3.516977      5.817395
  N      -2.409204      3.839771      5.139839
  H      -2.033887     -1.213435      5.793953
  H      -3.377415     -0.789709      6.868876
  H      -0.854188      0.824345      6.235962
  H      -1.359253      0.212383      7.828730
  H      -0.498345      4.396275      5.865189
  H      -0.613416      2.742957      5.255485
  H      -1.962335      3.803705      7.794538
  H      -0.584707      2.675202      7.784423
  H      -5.367445      2.640797      8.541120
  H      -4.210894      3.829261      7.989273
  H      -3.832381      0.826172      8.169916
  H      -2.948692      2.036190      9.123035
  C      -4.052516     -0.649937      4.236020
  C      -3.182923     -1.307579      3.167854
  C      -2.847503     -0.394734      2.006972
  O      -4.058286     -0.043810      1.275771
  C      -3.945949     -0.048084     -0.081491
  C      -3.605562     -1.163980     -0.805669
  C      -3.540980     -1.087323     -2.217677
  N      -3.785806      0.001541     -2.923614
  C      -4.137153      1.123423     -2.219817
  C      -4.393709      2.332679     -2.917410
  C      -4.723840      3.470131     -2.208872
  C      -4.824628      3.398065     -0.803396
  N      -4.594527      2.283494     -0.115280
  C      -4.242390      1.152675     -0.794129
  C      -2.799372      5.238260      5.327474
  C      -3.989024      5.665761      4.479176
  C      -3.680950      5.678328      2.990310
  O      -4.895088      5.493241      2.209228
  C      -5.844396      6.459524      2.196580
  C      -5.693675      7.761990      2.636769
  C      -6.804301      8.638000      2.534861
  N      -8.005593      8.321578      2.044455
  C      -8.164883      7.043140      1.598035
  C      -9.424078      6.629473      1.053699
  C      -9.575759      5.340760      0.598513
  C      -8.475830      4.457745      0.706939
  N      -7.289121      4.789995      1.230718
  C      -7.123741      6.065877      1.654973
  C      -6.449546      2.469257      6.283084
  C      -7.174776      3.799913      6.042848
  C      -8.538812      3.620706      5.417917
  O      -8.318862      2.891418      4.174795
  C      -9.383096      2.516693      3.448700
  C     -10.695060      2.924991      3.642793
  C     -11.700610      2.448456      2.767742
  N     -11.496616      1.615956      1.756042
  C     -10.208309      1.182643      1.567131
  C      -9.922233      0.273872      0.514689
  C      -8.641013     -0.176925      0.340338
  C      -7.636483      0.292029      1.207868
  N      -7.851728      1.153708      2.193945
  C      -9.114474      1.598236      2.384005
  H      -4.466356     -1.436443      4.883027
  H      -4.902604     -0.148980      3.763689
  H      -2.240463     -1.642384      3.617177
  H      -3.684072     -2.202980      2.790780
  H      -2.141993     -0.874396      1.317621
  H      -2.416664      0.552499      2.357481
  H      -3.389281     -2.103269     -0.298798
  H      -3.253355     -1.992382     -2.796420
  H      -4.309971      2.323116     -4.006784
  H      -4.910530      4.416944     -2.712601
  H      -5.095915      4.268372     -0.221581
  H      -1.930063      5.886911      5.091991
  H      -3.058692      5.451526      6.387999
  H      -4.333744      6.652229      4.826540
  H      -4.816645      4.953512      4.651316
  H      -3.068158      4.799879      2.718294
  H      -3.155167      6.603693      2.671506
  H      -4.750879      8.125263      3.056618
  H      -6.683861      9.663990      2.889058
  H     -10.242542      7.352123      1.009860
  H     -10.531142      4.985042      0.169592
  H      -8.583549      3.431218      0.353167
  H      -6.895839      1.963680      7.157112
  H      -6.623957      1.819545      5.419649
  H      -6.563457      4.414007      5.368124
  H      -7.294459      4.368445      6.976706
  H      -9.012044      4.601851      5.200584
  H      -9.220793      3.030587      6.063464
  H     -10.970881      3.610704      4.440855
  H     -12.737456      2.785014      2.924313
  H     -10.743881     -0.052427     -0.122813
  H      -8.396453     -0.887242     -0.445490
  H      -6.623705     -0.055757      1.103704
  N      -4.457535      2.451947      3.440034
  N      -5.469172      2.638254      2.489967
  H      -6.340818      2.073740      2.645389
  H      -5.110805      2.395184      1.522580
  H      -5.761713      3.618402      2.399113
103
Coordinates from ORCA-job orca E -6485.328785501692
  N      -3.345319      0.297366      5.077627
  Mo     -3.687563      2.255802      5.071466
  N      -5.005107      2.605969      6.485091
  C      -4.544211      2.840695      7.853710
  C      -3.424085      1.850211      8.166865
  N      -2.429398      1.887873      7.068963
  C      -1.731120      0.597793      6.874877
  C      -2.651139     -0.374357      6.167245
  C      -1.456703      3.000005      7.215190
  C      -1.144428      3.505556      5.807810
  N      -2.399175      3.832370      5.139269
  H      -2.053971     -1.224214      5.797145
  H      -3.389044     -0.806455      6.870711
  H      -0.857628      0.796367      6.238735
  H      -1.366433      0.190272      7.834547
  H      -0.474037      4.384616      5.850084
  H      -0.605448      2.724244      5.241565
  H      -1.931825      3.805644      7.793997
  H      -0.562689      2.663197      7.770625
  H      -5.368104      2.698766      8.574419
  H      -4.184603      3.877896      7.981715
  H      -3.850205      0.837688      8.204121
  H      -2.945413      2.061247      9.138926
  C      -4.073612     -0.651856      4.235274
  C      -3.196947     -1.303846      3.162346
  C      -2.844508     -0.383589      2.013155
  O      -4.050522     -0.024855      1.266646
  C      -3.933841     -0.031777     -0.091044
  C      -3.567302     -1.148622     -0.819109
  C      -3.516468     -1.065435     -2.227565
  N      -3.782438      0.025628     -2.930271
  C      -4.138877      1.139779     -2.227578
  C      -4.401350      2.345832     -2.924033
  C      -4.736405      3.476216     -2.214871
  C      -4.838853      3.401806     -0.808775
  N      -4.608388      2.291942     -0.120935
  C      -4.247763      1.167359     -0.801457
  C      -2.784079      5.230833      5.326870
  C      -3.983924      5.657326      4.487057
  C      -3.696068      5.681323      2.993701
  O      -4.907503      5.493152      2.216144
  C      -5.857810      6.451666      2.201148
  C      -5.715543      7.758343      2.633319
  C      -6.820410      8.635560      2.518202
  N      -8.007393      8.317496      2.022734
  C      -8.160530      7.032320      1.587205
  C      -9.402259      6.619787      1.034592
  C      -9.547909      5.323532      0.586226
  C      -8.457653      4.431799      0.707672
  N      -7.284890      4.764987      1.237542
  C      -7.125073      6.050235      1.657198
  C      -6.444638      2.476418      6.294264
  C      -7.173243      3.804594      6.047728
  C      -8.540904      3.609325      5.424244
  O      -8.324294      2.883877      4.188301
  C      -9.389096      2.508592      3.459059
  C     -10.694470      2.927408      3.645618
  C     -11.695922      2.463586      2.760576
  N     -11.498939      1.632155      1.749311
  C     -10.219295      1.186129      1.569514
  C      -9.942273      0.276484      0.518076
  C      -8.657349     -0.184876      0.340976
  C      -7.642197      0.273274      1.206806
  N      -7.854519      1.132695      2.197197
  C      -9.121576      1.588615      2.391092
  H      -4.498083     -1.442937      4.877132
  H      -4.920625     -0.146036      3.756724
  H      -2.257551     -1.646572      3.618401
  H      -3.701298     -2.195236      2.766292
  H      -2.128284     -0.860629      1.326157
  H      -2.414397      0.562031      2.382921
  H      -3.336688     -2.087854     -0.315937
  H      -3.245362     -1.955679     -2.799549
  H      -4.318986      2.339548     -4.012704
  H      -4.931407      4.422204     -2.716058
  H      -5.131852      4.276113     -0.220569
  H      -1.916137      5.877356      5.085265
  H      -3.032600      5.445671      6.389204
  H      -4.330412      6.637606      4.841798
  H      -4.803384      4.944943      4.659950
  H      -3.080512      4.819863      2.713477
  H      -3.189878      6.604876      2.675721
  H      -4.780562      8.126738      3.052527
  H      -6.702662      9.667806      2.861621
  H     -10.212505      7.349658      0.976290
  H     -10.487331      4.972643      0.148759
  H      -8.559305      3.399638      0.356960
  H      -6.888762      1.970455      7.171014
  H      -6.618675      1.821824      5.430810
  H      -6.567003      4.419982      5.368111
  H      -7.290345      4.377399      6.979849
  H      -9.019395      4.578892      5.208139
  H      -9.215231      3.014874      6.064810
  H     -10.966442      3.615088      4.443236
  H     -12.724026      2.812088      2.907572
  H     -10.768479     -0.039815     -0.121815
  H      -8.415128     -0.893340     -0.449923
  H      -6.615241     -0.078739      1.090728
  N      -4.447095      2.442764      3.442664
  N      -5.473114      2.626713      2.503622
  H      -6.347265      2.040691      2.669157
  H      -5.104526      2.386208      1.513155
  H      -5.774618      3.623866      2.432717
103
Coordinates from ORCA-job orca E -6485.327718264061
  N      -3.369258      0.294385      5.073664
  Mo     -3.686601      2.259584      5.063461
  N      -4.999319      2.622264      6.477405
  C      -4.533903      2.852573      7.845571
  C      -3.424239      1.853015      8.160074
  N      -2.432166      1.880979      7.063267
  C      -1.750062      0.583510      6.870900
  C      -2.686797     -0.384295      6.178322
  C      -1.451630      2.982930      7.212976
  C      -1.151318      3.501033      5.814672
  N      -2.399936      3.829919      5.142011
  H      -2.096726     -1.262104      5.818573
  H      -3.440013     -0.793639      6.898373
  H      -0.879497      0.768933      6.224684
  H      -1.383231      0.177348      7.831031
  H      -0.491733      4.373076      5.868385
  H      -0.613670      2.737362      5.246137
  H      -1.915685      3.780950      7.800820
  H      -0.557091      2.639038      7.761094
  H      -5.355561      2.720052      8.566438
  H      -4.164027      3.883962      7.971795
  H      -3.857795      0.846417      8.198383
  H      -2.943057      2.060668      9.131645
  C      -4.114080     -0.649869      4.217114
  C      -3.231649     -1.328028      3.149854
  C      -2.839841     -0.399780      2.012115
  O      -4.019088      0.017860      1.270108
  C      -3.890865      0.001677     -0.084277
  C      -3.452567     -1.098474     -0.801989
  C      -3.377447     -1.016041     -2.213345
  N      -3.677261      0.058309     -2.925922
  C      -4.094543      1.152366     -2.233975
  C      -4.396941      2.344986     -2.941794
  C      -4.802044      3.469257     -2.242095
  C      -4.906774      3.389926     -0.836530
  N      -4.647370      2.289659     -0.136222
  C      -4.238408      1.181918     -0.805856
  C      -2.776880      5.227574      5.315674
  C      -3.975501      5.656708      4.477636
  C      -3.698892      5.657483      2.980588
  O      -4.925209      5.476592      2.222296
  C      -5.862813      6.448829      2.199687
  C      -5.704898      7.764634      2.605798
  C      -6.800584      8.646854      2.483376
  N      -7.990928      8.323825      2.011378
  C      -8.159226      7.029554      1.603839
  C      -9.395543      6.616714      1.062852
  C      -9.544117      5.319160      0.626048
  C      -8.460564      4.428972      0.747244
  N      -7.294724      4.760955      1.266403
  C      -7.132598      6.045808      1.676475
  C      -6.439739      2.491005      6.293221
  C      -7.175617      3.818348      6.040328
  C      -8.548061      3.605821      5.427212
  O      -8.332825      2.889972      4.193460
  C      -9.397718      2.510406      3.473765
  C     -10.705990      2.921615      3.673755
  C     -11.703784      2.460214      2.790419
  N     -11.509344      1.632799      1.778849
  C     -10.235826      1.188678      1.596199
  C      -9.967992      0.279696      0.547822
  C      -8.676853     -0.179509      0.354617
  C      -7.655604      0.276098      1.211848
  N      -7.864031      1.135862      2.204100
  C      -9.131840      1.592028      2.406275
  H      -4.572200     -1.435390      4.858996
  H      -4.946923     -0.129110      3.722821
  H      -2.298220     -1.705614      3.615571
  H      -3.760693     -2.214852      2.740170
  H      -2.143504     -0.889728      1.327007
  H      -2.378072      0.521814      2.385526
  H      -3.179669     -2.027584     -0.293312
  H      -3.039955     -1.897899     -2.779738
  H      -4.305038      2.341383     -4.028188
  H      -5.041634      4.412100     -2.751143
  H      -5.239808      4.255014     -0.258360
  H      -1.908856      5.864479      5.062634
  H      -3.016779      5.453530      6.374503
  H      -4.307912      6.647476      4.821110
  H      -4.803400      4.954278      4.666534
  H      -3.098837      4.779077      2.699542
  H      -3.178439      6.573682      2.644302
  H      -4.761424      8.135728      3.004918
  H      -6.668481      9.689377      2.800114
  H     -10.195200      7.349560      0.992654
  H     -10.471631      4.975308      0.188566
  H      -8.555979      3.402357      0.399443
  H      -6.882441      1.988538      7.175137
  H      -6.615102      1.829547      5.433388
  H      -6.579765      4.437746      5.349087
  H      -7.290042      4.397340      6.971857
  H      -9.038354      4.565486      5.214310
  H      -9.210782      3.003419      6.070795
  H     -10.980111      3.605032      4.477376
  H     -12.727115      2.807410      2.939338
  H     -10.795671     -0.033518     -0.087018
  H      -8.433482     -0.882456     -0.448293
  H      -6.616570     -0.068514      1.075547
  N      -4.423726      2.437748      3.421111
  N      -5.473017      2.613237      2.498640
  H      -6.338758      2.029800      2.674806
  H      -5.118355      2.371468      1.506848
  H      -5.774010      3.598781      2.432463
103
Coordinates from ORCA-job orca E -6485.329515599034
  N      -3.374642      0.298374      5.076154
  Mo     -3.686706      2.263568      5.058672
  N      -5.004440      2.633419      6.467737
  C      -4.543384      2.871976      7.836221
  C      -3.438650      1.866648      8.159934
  N      -2.439339      1.883296      7.065580
  C      -1.761779      0.581449      6.877269
  C      -2.696605     -0.379210      6.173922
  C      -1.449051      2.981267      7.210029
  C      -1.132712      3.483794      5.803313
  N      -2.382773      3.824833      5.134415
  H      -2.112245     -1.243373      5.811845
  H      -3.444781     -0.793061      6.879018
  H      -0.885759      0.764204      6.239144
  H      -1.402665      0.171734      7.838313
  H      -0.452272      4.354253      5.845659
  H      -0.603811      2.697025      5.236877
  H      -1.909972      3.793158      7.790998
  H      -0.558574      2.631803      7.762520
  H      -5.370375      2.748479      8.556981
  H      -4.168036      3.904789      7.956294
  H      -3.878955      0.860689      8.202409
  H      -2.961040      2.077483      9.132609
  C      -4.111815     -0.643867      4.226174
  C      -3.230723     -1.317312      3.165045
  C      -2.823900     -0.393890      2.033833
  O      -3.996141      0.031261      1.274902
  C      -3.875739     -0.000247     -0.080519
  C      -3.446260     -1.106668     -0.793418
  C      -3.396756     -1.037486     -2.203484
  N      -3.714609      0.029064     -2.922295
  C      -4.127346      1.131279     -2.235365
  C      -4.445242      2.315318     -2.948304
  C      -4.839423      3.441180     -2.254215
  C      -4.933024      3.378619     -0.847215
  N      -4.656266      2.287983     -0.143681
  C      -4.245472      1.173068     -0.808775
  C      -2.748455      5.227839      5.314780
  C      -3.953350      5.661325      4.486158
  C      -3.687398      5.670075      2.988378
  O      -4.914203      5.491563      2.232160
  C      -5.852068      6.461620      2.220691
  C      -5.691669      7.769887      2.641459
  C      -6.786845      8.658137      2.529847
  N      -7.979785      8.349036      2.051092
  C      -8.151663      7.061945      1.629323
  C      -9.399119      6.660111      1.091445
  C      -9.561659      5.362826      0.652285
  C      -8.480090      4.461476      0.766589
  N      -7.302034      4.785106      1.281607
  C      -7.127368      6.069846      1.694278
  C      -6.443553      2.495983      6.276955
  C      -7.181475      3.818399      6.014236
  C      -8.551442      3.604873      5.401878
  O      -8.331475      2.875697      4.172486
  C      -9.394003      2.488165      3.450590
  C     -10.705421      2.891622      3.645751
  C     -11.705492      2.417283      2.766308
  N     -11.504790      1.588142      1.756768
  C     -10.222020      1.155383      1.572407
  C      -9.941394      0.249804      0.520980
  C      -8.646732     -0.195286      0.331684
  C      -7.633900      0.269870      1.195302
  N      -7.851826      1.125023      2.188434
  C      -9.122402      1.569124      2.385831
  H      -4.560773     -1.426204      4.867020
  H      -4.945243     -0.126264      3.733141
  H      -2.308278     -1.696118      3.638282
  H      -3.757056     -2.192550      2.749199
  H      -2.116265     -0.886407      1.354161
  H      -2.363499      0.526851      2.422715
  H      -3.166297     -2.029658     -0.280770
  H      -3.071404     -1.923054     -2.764077
  H      -4.364325      2.299985     -4.035611
  H      -5.081271      4.373262     -2.767841
  H      -5.260062      4.245759     -0.271755
  H      -1.875972      5.861712      5.058530
  H      -2.981511      5.453666      6.377725
  H      -4.283372      6.648214      4.837416
  H      -4.778773      4.960170      4.675713
  H      -3.087604      4.798400      2.703675
  H      -3.174499      6.584875      2.655435
  H      -4.748716      8.131519      3.047188
  H      -6.653700      9.692715      2.861663
  H     -10.199849      7.399281      1.033275
  H     -10.503929      5.022658      0.222820
  H      -8.591017      3.430879      0.419467
  H      -6.887390      1.997077      7.158541
  H      -6.613428      1.830360      5.420231
  H      -6.585123      4.428099      5.320736
  H      -7.296459      4.403621      6.938440
  H      -9.044105      4.566975      5.179904
  H      -9.214502      3.007423      6.050496
  H     -10.982234      3.576398      4.444526
  H     -12.735789      2.755196      2.916813
  H     -10.765796     -0.072724     -0.116093
  H      -8.395956     -0.896247     -0.468021
  H      -6.600091     -0.068786      1.068939
  N      -4.427141      2.447439      3.419393
  N      -5.474186      2.626579      2.497692
  H      -6.339390      2.038638      2.671204
  H      -5.123111      2.388049      1.503600
  H      -5.778821      3.616911      2.435014
103
Coordinates from ORCA-job orca E -6485.329501639865
  N      -3.364835      0.305841      5.076457
  Mo     -3.684832      2.269498      5.065739
  N      -5.007035      2.625128      6.469983
  C      -4.547607      2.863628      7.837666
  C      -3.439192      1.865428      8.163115
  N      -2.439605      1.887675      7.072280
  C      -1.758075      0.587346      6.885346
  C      -2.691959     -0.375013      6.180151
  C      -1.455068      2.985197      7.221210
  C      -1.132728      3.482544      5.818026
  N      -2.378750      3.822481      5.139936
  H      -2.105057     -1.247432      5.821443
  H      -3.450100     -0.786370      6.886727
  H      -0.879299      0.771064      6.249803
  H      -1.403376      0.178103      7.848677
  H      -0.456009      4.349386      5.863034
  H      -0.601404      2.698938      5.258984
  H      -1.923359      3.793830      7.794020
  H      -0.567597      2.641031      7.781278
  H      -5.373867      2.734972      8.554407
  H      -4.178274      3.895675      7.959893
  H      -3.873742      0.858722      8.204016
  H      -2.964209      2.077646      9.136143
  C      -4.101393     -0.635957      4.230658
  C      -3.224465     -1.301421      3.166137
  C      -2.806153     -0.374483      2.046843
  O      -3.972269      0.059960      1.282718
  C      -3.875373      0.005727     -0.073470
  C      -3.460635     -1.110329     -0.783417
  C      -3.446098     -1.058275     -2.193668
  N      -3.785810     -0.000233     -2.919047
  C      -4.187106      1.111653     -2.235630
  C      -4.518934      2.285369     -2.956037
  C      -4.888472      3.411882     -2.268121
  C      -4.966164      3.368510     -0.857538
  N      -4.672870      2.288793     -0.146855
  C      -4.269925      1.168304     -0.808351
  C      -2.741403      5.229071      5.320170
  C      -3.942423      5.675421      4.492709
  C      -3.673841      5.680084      2.994990
  O      -4.902463      5.505519      2.240917
  C      -5.837722      6.477810      2.234995
  C      -5.672309      7.783799      2.662742
  C      -6.764533      8.676026      2.555185
  N      -7.960616      8.372965      2.071420
  C      -8.137573      7.088122      1.642215
  C      -9.388826      6.691525      1.100055
  C      -9.557374      5.397256      0.656212
  C      -8.480333      4.490997      0.771718
  N      -7.298865      4.808869      1.291547
  C      -7.116782      6.092297      1.706226
  C      -6.445437      2.487252      6.275722
  C      -7.170548      3.808469      5.993364
  C      -8.544599      3.590410      5.385682
  O      -8.331445      2.844475      4.162275
  C      -9.395040      2.455303      3.436824
  C     -10.703188      2.863139      3.620543
  C     -11.692932      2.393736      2.727523
  N     -11.483239      1.565611      1.712473
  C     -10.201293      1.130003      1.536644
  C      -9.914220      0.223771      0.485421
  C      -8.627008     -0.222811      0.311822
  C      -7.614006      0.248755      1.175025
  N      -7.835970      1.102670      2.166678
  C      -9.111549      1.541342      2.363272
  H      -4.543905     -1.419187      4.870629
  H      -4.935382     -0.120202      3.741386
  H      -2.311230     -1.684675      3.637307
  H      -3.752194     -2.164344      2.740406
  H      -2.090140     -0.863897      1.366801
  H      -2.345269      0.543222      2.453919
  H      -3.172204     -2.025220     -0.267728
  H      -3.150781     -1.944197     -2.745821
  H      -4.454452      2.257118     -4.047085
  H      -5.134324      4.334186     -2.787714
  H      -5.299225      4.245338     -0.281547
  H      -1.865383      5.859733      5.066609
  H      -2.974998      5.451910      6.383396
  H      -4.262034      6.668371      4.845039
  H      -4.776348      4.981222      4.683202
  H      -3.078020      4.800735      2.712192
  H      -3.153070      6.594141      2.659714
  H      -4.728069      8.140755      3.071301
  H      -6.627822      9.707850      2.893925
  H     -10.187122      7.432769      1.044549
  H     -10.503832      5.059605      0.224811
  H      -8.599818      3.460514      0.423802
  H      -6.890694      2.002840      7.164223
  H      -6.617597      1.809738      5.428403
  H      -6.567942      4.402776      5.285304
  H      -7.276293      4.413076      6.910804
  H      -9.028981      4.550380      5.156963
  H      -9.212155      3.001871      6.042211
  H     -10.984120      3.548119      4.418972
  H     -12.719984      2.736781      2.868151
  H     -10.737330     -0.102719     -0.154635
  H      -8.379830     -0.929052     -0.474841
  H      -6.583177     -0.090147      1.056618
  N      -4.451106      2.471724      3.442842
  N      -5.475658      2.650494      2.503567
  H      -6.341411      2.048901      2.662198
  H      -5.109125      2.420783      1.506339
  H      -5.791640      3.646455      2.443951
103
Coordinates from ORCA-job orca E -6485.330750872577
  N      -3.399079      0.306744      5.071143
  Mo     -3.693763      2.275349      5.054168
  N      -5.015052      2.653052      6.456445
  C      -4.554360      2.894629      7.824917
  C      -3.463230      1.876400      8.157389
  N      -2.458860      1.879050      7.067478
  C      -1.793878      0.570026      6.881637
  C      -2.734890     -0.378517      6.170868
  C      -1.457993      2.965156      7.214412
  C      -1.122746      3.453886      5.806997
  N      -2.364017      3.811160      5.128937
  H      -2.159959     -1.247246      5.810980
  H      -3.491726     -0.782944      6.869656
  H      -0.913114      0.746346      6.249252
  H      -1.445822      0.154949      7.844628
  H      -0.430215      4.313148      5.846910
  H      -0.603370      2.655743      5.248846
  H      -1.917399      3.785450      7.784144
  H      -0.577120      2.608855      7.778243
  H      -5.385699      2.786871      8.544730
  H      -4.164841      3.924065      7.937432
  H      -3.915566      0.875242      8.202709
  H      -2.987345      2.086171      9.131245
  C      -4.139037     -0.629793      4.220352
  C      -3.258848     -1.308073      3.164126
  C      -2.788027     -0.372361      2.069618
  O      -3.918205      0.114817      1.290797
  C      -3.821257      0.041104     -0.060370
  C      -3.363510     -1.060980     -0.758735
  C      -3.341791     -1.026065     -2.171021
  N      -3.718487      0.005758     -2.908259
  C      -4.170820      1.106028     -2.234552
  C      -4.557956      2.258788     -2.964924
  C      -4.987069      3.378850     -2.287961
  C      -5.055274      3.343420     -0.880488
  N      -4.709701      2.282274     -0.160242
  C      -4.259446      1.174718     -0.808798
  C      -2.706142      5.223271      5.306563
  C      -3.913239      5.674208      4.491858
  C      -3.665967      5.670123      2.991791
  O      -4.903750      5.505946      2.254804
  C      -5.822783      6.492836      2.250251
  C      -5.627201      7.801697      2.658161
  C      -6.704498      8.712817      2.555000
  N      -7.914463      8.425205      2.093851
  C      -8.121103      7.137954      1.685240
  C      -9.387477      6.758384      1.166921
  C      -9.587194      5.461320      0.746117
  C      -8.525598      4.536363      0.858325
  N      -7.330317      4.839431      1.352839
  C      -7.116891      6.123809      1.747079
  C      -6.453151      2.514084      6.261033
  C      -7.179577      3.828867      5.952181
  C      -8.551215      3.599635      5.348238
  O      -8.332736      2.834504      4.137218
  C      -9.390939      2.424618      3.419041
  C     -10.703890      2.815218      3.606233
  C     -11.694467      2.323070      2.725970
  N     -11.480050      1.487936      1.720653
  C     -10.191402      1.069881      1.540433
  C      -9.896201      0.159743      0.494764
  C      -8.602028     -0.266288      0.314170
  C      -7.592475      0.227554      1.167653
  N      -7.821929      1.084683      2.154744
  C      -9.101995      1.504608      2.355264
  H      -4.598275     -1.407488      4.857146
  H      -4.961049     -0.104314      3.722017
  H      -2.364061     -1.724217      3.646697
  H      -3.803392     -2.152602      2.716609
  H      -2.069453     -0.867642      1.398629
  H      -2.309836      0.523165      2.502472
  H      -3.037791     -1.956805     -0.236830
  H      -2.994994     -1.909369     -2.716920
  H      -4.492608      2.222895     -4.053938
  H      -5.279652      4.286418     -2.816975
  H      -5.417756      4.207393     -0.316381
  H      -1.825635      5.841668      5.036635
  H      -2.921766      5.456104      6.372275
  H      -4.220343      6.668458      4.842300
  H      -4.747670      4.988420      4.694420
  H      -3.083937      4.788543      2.707269
  H      -3.143521      6.573135      2.645189
  H      -4.669058      8.147193      3.046578
  H      -6.542629      9.747401      2.876742
  H     -10.171924      7.514549      1.110919
  H     -10.546157      5.136669      0.334150
  H      -8.668121      3.504190      0.527456
  H      -6.902264      2.045954      7.155889
  H      -6.622537      1.821841      5.425241
  H      -6.580892      4.407622      5.234433
  H      -7.286551      4.449317      6.854807
  H      -9.041997      4.553847      5.101317
  H      -9.213411      3.020586      6.014374
  H     -10.990131      3.502301      4.400430
  H     -12.730178      2.651072      2.871678
  H     -10.717453     -0.184671     -0.136827
  H      -8.346680     -0.973025     -0.471797
  H      -6.554980     -0.092436      1.041153
  N      -4.448148      2.481198      3.423919
  N      -5.479880      2.647618      2.487884
  H      -6.338697      2.035761      2.650817
  H      -5.117079      2.421310      1.488253
  H      -5.811190      3.638862      2.429950
103
Coordinates from ORCA-job orca E -6485.330766058408
  N      -3.432206      0.314355      5.061668
  Mo     -3.713079      2.285200      5.052049
  N      -5.026692      2.677932      6.457490
  C      -4.563591      2.915576      7.825833
  C      -3.484164      1.886696      8.158389
  N      -2.480932      1.877357      7.066139
  C      -1.829860      0.561776      6.877837
  C      -2.775683     -0.377736      6.164730
  C      -1.466866      2.956137      7.208876
  C      -1.123615      3.432886      5.797155
  N      -2.360654      3.802952      5.120444
  H      -2.204254     -1.249434      5.806003
  H      -3.535551     -0.776293      6.862748
  H      -0.947868      0.732805      6.246247
  H      -1.486757      0.142418      7.840471
  H      -0.412072      4.284063      5.826817
  H      -0.620186      2.617226      5.240686
  H      -1.918816      3.786483      7.774946
  H      -0.591540      2.594492      7.775778
  H      -5.393209      2.817336      8.543825
  H      -4.163692      3.937487      7.936790
  H      -3.947627      0.891293      8.203341
  H      -3.004196      2.090833      9.132469
  C      -4.177209     -0.615122      4.203204
  C      -3.293245     -1.319805      3.165492
  C      -2.764955     -0.394731      2.089066
  O      -3.847371      0.146836      1.277065
  C      -3.753184      0.058026     -0.066665
  C      -3.247286     -1.035476     -0.763495
  C      -3.262610     -1.003259     -2.167185
  N      -3.693074      0.011733     -2.907968
  C      -4.168086      1.094406     -2.243444
  C      -4.592161      2.223380     -2.979658
  C      -5.070169      3.334120     -2.309195
  C      -5.134729      3.309957     -0.900786
  N      -4.749211      2.269842     -0.176023
  C      -4.252926      1.172759     -0.819654
  C      -2.678120      5.219366      5.291873
  C      -3.889436      5.681057      4.489333
  C      -3.664301      5.652154      2.984495
  O      -4.917356      5.509713      2.266640
  C      -5.817000      6.514320      2.265181
  C      -5.597289      7.823081      2.656341
  C      -6.658207      8.753936      2.559825
  N      -7.873402      8.487373      2.122081
  C      -8.104400      7.200504      1.734263
  C      -9.382785      6.843223      1.248339
  C      -9.617107      5.539812      0.858399
  C      -8.573266      4.589958      0.963916
  N      -7.364951      4.877269      1.417825
  C      -7.118866      6.164193      1.789957
  C      -6.465715      2.539678      6.257828
  C      -7.192265      3.851250      5.906985
  C      -8.556144      3.609727      5.299767
  O      -8.317457      2.824415      4.107572
  C      -9.369110      2.395153      3.394419
  C     -10.692028      2.768275      3.587254
  C     -11.686691      2.253196      2.722384
  N     -11.469727      1.407688      1.733167
  C     -10.175152      1.005905      1.551679
  C      -9.869556      0.093382      0.509939
  C      -8.555745     -0.304542      0.309519
  C      -7.560205      0.205574      1.165004
  N      -7.802772      1.061025      2.154032
  C      -9.081673      1.465478      2.350610
  H      -4.659941     -1.379132      4.838786
  H      -4.984350     -0.079377      3.686419
  H      -2.419909     -1.772184      3.671052
  H      -3.856160     -2.145393      2.698925
  H      -2.049014     -0.911072      1.443240
  H      -2.266715      0.474113      2.539701
  H      -2.859716     -1.925609     -0.248049
  H      -2.886394     -1.880114     -2.706373
  H      -4.529346      2.181969     -4.066023
  H      -5.394910      4.221591     -2.846411
  H      -5.521591      4.160267     -0.339964
  H      -1.791034      5.818621      5.004793
  H      -2.871570      5.465505      6.358007
  H      -4.174993      6.684772      4.832295
  H      -4.734779      5.013427      4.709413
  H      -3.109185      4.749633      2.701004
  H      -3.122177      6.535201      2.616638
  H      -4.631378      8.153243      3.027010
  H      -6.476580      9.787177      2.867934
  H     -10.151708      7.619731      1.192910
  H     -10.587422      5.230537      0.475283
  H      -8.740798      3.551763      0.660171
  H      -6.926046      2.094890      7.159077
  H      -6.627741      1.829168      5.437779
  H      -6.592928      4.405123      5.176844
  H      -7.306122      4.495465      6.788243
  H      -9.057979      4.558215      5.026682
  H      -9.213964      3.040690      5.974107
  H     -10.979398      3.459259      4.374365
  H     -12.729392      2.570496      2.865709
  H     -10.683373     -0.265245     -0.119152
  H      -8.278137     -1.001940     -0.494081
  H      -6.515426     -0.089127      1.027586
  N      -4.471869      2.495963      3.423455
  N      -5.485859      2.658400      2.470605
  H      -6.341945      2.053065      2.625542
  H      -5.123888      2.422879      1.488344
  H      -5.816057      3.635833      2.395104
103
Coordinates from ORCA-job orca E -6485.332134662551
  N      -3.475408      0.318120      5.057032
  Mo     -3.719538      2.295921      5.044383
  N      -5.031440      2.711930      6.445598
  C      -4.565600      2.950187      7.811941
  C      -3.505908      1.901120      8.151456
  N      -2.499915      1.869500      7.062882
  C      -1.873578      0.539827      6.878085
  C      -2.838439     -0.382971      6.165742
  C      -1.467965      2.929460      7.207676
  C      -1.119280      3.404481      5.799325
  N      -2.351460      3.792979      5.121093
  H      -2.284368     -1.268976      5.814911
  H      -3.611771     -0.760846      6.862006
  H      -0.986463      0.691461      6.245665
  H      -1.539159      0.115011      7.841269
  H      -0.397268      4.243491      5.832724
  H      -0.625845      2.585572      5.242981
  H      -1.906290      3.763914      7.775649
  H      -0.596759      2.553391      7.772757
  H      -5.398626      2.874538      8.531388
  H      -4.143755      3.965606      7.914946
  H      -3.988513      0.914647      8.200063
  H      -3.024986      2.100286      9.125249
  C      -4.226407     -0.597006      4.188448
  C      -3.341987     -1.307186      3.153914
  C      -2.753256     -0.375580      2.110396
  O      -3.791448      0.231639      1.281114
  C      -3.694433      0.110883     -0.065035
  C      -3.172625     -0.971070     -0.751654
  C      -3.186493     -0.965262     -2.165742
  N      -3.651485      0.018197     -2.920632
  C      -4.162808      1.095888     -2.261954
  C      -4.651889      2.201840     -3.007270
  C      -5.152596      3.303797     -2.346500
  C      -5.181568      3.296724     -0.937426
  N      -4.742933      2.281101     -0.203970
  C      -4.227501      1.192276     -0.835770
  C      -2.647007      5.217089      5.283286
  C      -3.858912      5.689350      4.487775
  C      -3.647439      5.647165      2.981607
  O      -4.906956      5.515525      2.278449
  C      -5.793127      6.530332      2.277330
  C      -5.550922      7.840726      2.650231
  C      -6.602689      8.780916      2.559148
  N      -7.830562      8.520756      2.142717
  C      -8.083715      7.232377      1.772821
  C      -9.378426      6.879999      1.312785
  C      -9.634701      5.575377      0.942845
  C      -8.596822      4.620610      1.042304
  N      -7.373128      4.902265      1.473355
  C      -7.107752      6.189257      1.825532
  C      -6.469718      2.570718      6.249608
  C      -7.191950      3.874598      5.867447
  C      -8.560675      3.615025      5.269650
  O      -8.331377      2.800197      4.096962
  C      -9.376078      2.351373      3.390595
  C     -10.702602      2.712732      3.578619
  C     -11.684318      2.181483      2.711596
  N     -11.452954      1.331994      1.725061
  C     -10.154365      0.941411      1.549192
  C      -9.840073      0.022097      0.520325
  C      -8.525899     -0.364209      0.331020
  C      -7.528759      0.168129      1.174675
  N      -7.779736      1.029845      2.151571
  C      -9.068800      1.418888      2.347380
  H      -4.728365     -1.358881      4.814857
  H      -5.018333     -0.045412      3.666621
  H      -2.495548     -1.799407      3.666740
  H      -3.923538     -2.103299      2.659371
  H      -2.033819     -0.904163      1.473027
  H      -2.237001      0.469658      2.594598
  H      -2.770814     -1.835109     -0.225062
  H      -2.786810     -1.837369     -2.699472
  H      -4.611816      2.148025     -4.094599
  H      -5.526819      4.174327     -2.889950
  H      -5.586576      4.142679     -0.381585
  H      -1.754913      5.803450      4.983085
  H      -2.828978      5.473661      6.348683
  H      -4.128344      6.700386      4.824851
  H      -4.710201      5.033195      4.723356
  H      -3.107444      4.736019      2.699661
  H      -3.098636      6.521492      2.601940
  H      -4.574489      8.164230      3.003191
  H      -6.404537      9.814861      2.853787
  H     -10.141543      7.660385      1.262093
  H     -10.619191      5.267423      0.580733
  H      -8.783735      3.582212      0.753891
  H      -6.927575      2.148837      7.164703
  H      -6.637775      1.838071      5.445770
  H      -6.593399      4.408911      5.116419
  H      -7.297055      4.543737      6.735341
  H      -9.058865      4.554889      4.973195
  H      -9.217189      3.064128      5.962297
  H     -11.000313      3.409693      4.359823
  H     -12.723249      2.492865      2.844580
  H     -10.653197     -0.353670     -0.102589
  H      -8.249580     -1.069675     -0.453643
  H      -6.482453     -0.117364      1.045842
  N      -4.452401      2.505573      3.403933
  N      -5.484904      2.656345      2.464796
  H      -6.330453      2.031435      2.627095
  H      -5.125199      2.427459      1.474014
  H      -5.835566      3.633959      2.399066
103
Coordinates from ORCA-job orca E -6485.331822569317
  N      -3.448005      0.314527      5.053082
  Mo     -3.718624      2.286506      5.056252
  N      -5.034230      2.676801      6.457374
  C      -4.572637      2.912694      7.827207
  C      -3.505101      1.872475      8.161412
  N      -2.500155      1.859943      7.073907
  C      -1.857336      0.543134      6.881703
  C      -2.805815     -0.386494      6.156444
  C      -1.484084      2.929350      7.227852
  C      -1.126429      3.406621      5.822999
  N      -2.352827      3.789148      5.131492
  H      -2.239590     -1.263575      5.799680
  H      -3.576332     -0.779114      6.847510
  H      -0.970892      0.711226      6.256694
  H      -1.523936      0.114837      7.844180
  H      -0.416459      4.248856      5.864542
  H      -0.621619      2.595820      5.272682
  H      -1.936873      3.757530      7.789678
  H      -0.616413      2.560884      7.803822
  H      -5.408395      2.829691      8.548106
  H      -4.154573      3.934229      7.933987
  H      -3.977896      0.881240      8.204358
  H      -3.026448      2.072156      9.136584
  C      -4.189466     -0.607096      4.180934
  C      -3.300003     -1.290282      3.126399
  C      -2.723292     -0.335054      2.105552
  O      -3.766486      0.260698      1.310111
  C      -3.717187      0.133111     -0.024518
  C      -3.194078     -0.949722     -0.713822
  C      -3.232813     -0.961965     -2.124632
  N      -3.729535      0.004150     -2.878068
  C      -4.254840      1.085203     -2.215702
  C      -4.774323      2.172440     -2.962787
  C      -5.282194      3.272071     -2.302409
  C      -5.290113      3.279421     -0.890533
  N      -4.809319      2.279236     -0.158196
  C      -4.287436      1.196786     -0.791440
  C      -2.652284      5.214913      5.293495
  C      -3.861383      5.687545      4.501713
  C      -3.636059      5.665590      2.998877
  O      -4.883382      5.524922      2.278076
  C      -5.773031      6.536676      2.266929
  C      -5.536996      7.848595      2.650052
  C      -6.587077      8.787230      2.545405
  N      -7.812810      8.521842      2.107827
  C      -8.060699      7.230798      1.726553
  C      -9.345137      6.872791      1.237944
  C      -9.586384      5.576253      0.846854
  C      -8.546807      4.631281      0.953205
  N      -7.335637      4.913054      1.415406
  C      -7.081771      6.193955      1.788373
  C      -6.472242      2.542985      6.251421
  C      -7.174939      3.847027      5.880277
  C      -8.548349      3.600157      5.282240
  O      -8.319398      2.790112      4.104046
  C      -9.371257      2.351955      3.391103
  C     -10.685772      2.733531      3.559495
  C     -11.661521      2.214744      2.680003
  N     -11.430251      1.361373      1.690673
  C     -10.137665      0.955844      1.524924
  C      -9.824207      0.031254      0.495410
  C      -8.525754     -0.373392      0.323516
  C      -7.524518      0.157667      1.164138
  N      -7.772176      1.022847      2.141281
  C      -9.061682      1.419697      2.339426
  H      -4.675522     -1.384212      4.801422
  H      -4.991949     -0.064151      3.672193
  H      -2.451576     -1.774212      3.619096
  H      -3.869925     -2.083839      2.618603
  H      -1.997325     -0.832881      1.447847
  H      -2.220389      0.505887      2.606821
  H      -2.760278     -1.800918     -0.195468
  H      -2.827213     -1.833375     -2.657488
  H      -4.742975      2.104769     -4.054987
  H      -5.677973      4.128352     -2.849647
  H      -5.707696      4.126328     -0.333550
  H      -1.762743      5.804773      4.989738
  H      -2.832104      5.466615      6.362372
  H      -4.139020      6.689785      4.846425
  H      -4.706274      5.024260      4.726295
  H      -3.080263      4.766460      2.715978
  H      -3.095697      6.552825      2.633637
  H      -4.563599      8.175989      3.018754
  H      -6.390246      9.825049      2.845807
  H     -10.107948      7.646146      1.178218
  H     -10.559903      5.266418      0.462008
  H      -8.720876      3.599359      0.647210
  H      -6.938571      2.115008      7.153428
  H      -6.640287      1.824677      5.442761
  H      -6.561927      4.379000      5.134073
  H      -7.273735      4.510769      6.750350
  H      -9.032435      4.542253      4.999757
  H      -9.218408      3.047627      5.966915
  H     -10.982628      3.431738      4.340565
  H     -12.705585      2.533828      2.812606
  H     -10.637620     -0.339510     -0.130950
  H      -8.257000     -1.087062     -0.451454
  H      -6.477053     -0.133810      1.030478
  N      -4.490557      2.520585      3.437483
  N      -5.489711      2.684148      2.471720
  H      -6.343973      2.055101      2.609657
  H      -5.104664      2.467502      1.480211
  H      -5.839261      3.674461      2.417098
103
Coordinates from ORCA-job orca E -6485.333206477501
  N      -3.479377      0.324179      5.046259
  Mo     -3.725532      2.299488      5.053682
  N      -5.038871      2.705726      6.454731
  C      -4.577474      2.932179      7.823860
  C      -3.522961      1.878502      8.157992
  N      -2.515110      1.855638      7.073133
  C      -1.888958      0.530657      6.878041
  C      -2.849167     -0.386569      6.151992
  C      -1.486025      2.912793      7.231528
  C      -1.124558      3.394357      5.830708
  N      -2.347512      3.789237      5.139977
  H      -2.292123     -1.272067      5.797345
  H      -3.627756     -0.769726      6.842514
  H      -1.000602      0.688789      6.252091
  H      -1.559602      0.096754      7.838845
  H      -0.407568      4.229477      5.877314
  H      -0.625475      2.583716      5.277534
  H      -1.929599      3.742237      7.798976
  H      -0.621205      2.532949      7.804151
  H      -5.413455      2.857313      8.539779
  H      -4.148555      3.944363      7.934691
  H      -4.008073      0.893598      8.196423
  H      -3.044316      2.068920      9.134718
  C      -4.220302     -0.586274      4.167603
  C      -3.329827     -1.274924      3.122625
  C      -2.705666     -0.319380      2.125222
  O      -3.716632      0.317657      1.295622
  C      -3.667003      0.159647     -0.041071
  C      -3.122398     -0.919182     -0.722333
  C      -3.187121     -0.951589     -2.132275
  N      -3.721121     -0.011761     -2.895302
  C      -4.256405      1.061386     -2.245256
  C      -4.816148      2.121723     -3.001259
  C      -5.347786      3.216816     -2.351959
  C      -5.332318      3.246105     -0.942557
  N      -4.817879      2.273209     -0.201229
  C      -4.274061      1.194868     -0.822228
  C      -2.628992      5.217740      5.298032
  C      -3.839703      5.699499      4.510810
  C      -3.625980      5.656764      3.004900
  O      -4.883169      5.526896      2.296031
  C      -5.763118      6.548143      2.289197
  C      -5.511941      7.859478      2.662606
  C      -6.557319      8.808754      2.567785
  N      -7.790080      8.556759      2.145928
  C      -8.051308      7.267508      1.773636
  C      -9.342673      6.925098      1.301762
  C      -9.600741      5.625199      0.925584
  C      -8.571083      4.661596      1.031201
  N      -7.352169      4.932891      1.473126
  C      -7.080761      6.216987      1.830201
  C      -6.476312      2.569100      6.248198
  C      -7.183230      3.871756      5.843121
  C      -8.549257      3.614633      5.238409
  O      -8.314360      2.782946      4.076822
  C      -9.358724      2.330784      3.369327
  C     -10.680058      2.700839      3.539557
  C     -11.657554      2.160517      2.674140
  N     -11.423034      1.296499      1.700236
  C     -10.124236      0.904340      1.533126
  C      -9.800923     -0.022991      0.509998
  C      -8.491388     -0.405943      0.329498
  C      -7.498514      0.142116      1.166921
  N      -7.755390      1.008710      2.138989
  C      -9.046837      1.390102      2.334007
  H      -4.714422     -1.359737      4.782729
  H      -5.014457     -0.035834      3.653470
  H      -2.501108     -1.789993      3.629462
  H      -3.911166     -2.047581      2.594449
  H      -1.967715     -0.831688      1.487896
  H      -2.196708      0.508535      2.651858
  H      -2.664588     -1.752827     -0.197029
  H      -2.774958     -1.818735     -2.654851
  H      -4.804081      2.039301     -4.089523
  H      -5.776800      4.052573     -2.905992
  H      -5.760955      4.088007     -0.393380
  H      -1.733927      5.795739      4.987324
  H      -2.799116      5.477476      6.365840
  H      -4.101101      6.712471      4.848461
  H      -4.696310      5.050742      4.749150
  H      -3.086460      4.744750      2.727129
  H      -3.074839      6.530746      2.625477
  H      -4.531366      8.177687      3.018786
  H      -6.350025      9.844262      2.862760
  H     -10.098722      7.711176      1.243672
  H     -10.579010      5.325935      0.553457
  H      -8.759992      3.624616      0.740488
  H      -6.945156      2.160319      7.163778
  H      -6.642426      1.828049      5.450593
  H      -6.570729      4.386524      5.091579
  H      -7.288093      4.553415      6.699004
  H      -9.038825      4.553131      4.929625
  H      -9.215604      3.074885      5.930998
  H     -10.978842      3.407022      4.311246
  H     -12.702934      2.472166      2.803420
  H     -10.609656     -0.408292     -0.111312
  H      -8.210271     -1.116587     -0.448555
  H      -6.447649     -0.131971      1.030304
  N      -4.471177      2.530335      3.421074
  N      -5.487255      2.679381      2.464985
  H      -6.332497      2.046522      2.618124
  H      -5.118084      2.453731      1.475929
  H      -5.845430      3.660687      2.399629
103
Coordinates from ORCA-job orca E -6485.333045732897
  N      -3.507668      0.330876      5.039444
  Mo     -3.740845      2.309641      5.055984
  N      -5.056959      2.725617      6.451383
  C      -4.598959      2.953476      7.820772
  C      -3.556376      1.888803      8.163694
  N      -2.543620      1.851132      7.080625
  C      -1.932410      0.514592      6.891881
  C      -2.896343     -0.389374      6.155031
  C      -1.498502      2.897244      7.238157
  C      -1.124672      3.366072      5.834318
  N      -2.345211      3.779880      5.146802
  H      -2.342907     -1.276668      5.806606
  H      -3.685751     -0.766699      6.833472
  H      -1.033421      0.660111      6.273900
  H      -1.617738      0.074288      7.855318
  H      -0.384700      4.192071      5.873853
  H      -0.641221      2.535803      5.281300
  H      -1.932800      3.738672      7.800592
  H      -0.639818      2.507961      7.814538
  H      -5.437064      2.891331      8.533809
  H      -4.160196      3.960450      7.927771
  H      -4.052684      0.908460      8.204122
  H      -3.079588      2.076537      9.141736
  C      -4.234065     -0.572650      4.129990
  C      -3.317120     -1.253049      3.095691
  C      -2.664261     -0.291896      2.121113
  O      -3.640593      0.381376      1.283219
  C      -3.610891      0.192307     -0.053528
  C      -3.058166     -0.884243     -0.730765
  C      -3.160186     -0.938168     -2.138740
  N      -3.738555     -0.024158     -2.905131
  C      -4.282152      1.044146     -2.260703
  C      -4.892550      2.077296     -3.018476
  C      -5.436181      3.167561     -2.374672
  C      -5.386301      3.221671     -0.965961
  N      -4.829628      2.275498     -0.220590
  C      -4.265918      1.200123     -0.839138
  C      -2.605867      5.212389      5.307708
  C      -3.813392      5.712839      4.523532
  C      -3.607205      5.657131      3.018338
  O      -4.869875      5.543830      2.317417
  C      -5.731913      6.573787      2.299789
  C      -5.462302      7.885435      2.642501
  C      -6.490085      8.842886      2.532886
  N      -7.720253      8.599789      2.126695
  C      -8.004364      7.310054      1.792477
  C      -9.313086      6.972658      1.360824
  C      -9.609768      5.663357      1.036471
  C      -8.595055      4.691398      1.149856
  N      -7.357166      4.959128      1.552344
  C      -7.054734      6.249764      1.865125
  C      -6.494209      2.594385      6.237476
  C      -7.189809      3.890606      5.794946
  C      -8.559068      3.624382      5.200170
  O      -8.325578      2.768318      4.060922
  C      -9.363953      2.296462      3.357393
  C     -10.700266      2.643814      3.531061
  C     -11.666142      2.082936      2.663550
  N     -11.414248      1.218691      1.691068
  C     -10.110657      0.844615      1.530979
  C      -9.778043     -0.087105      0.519764
  C      -8.452753     -0.446575      0.335971
  C      -7.466566      0.122179      1.171691
  N      -7.736946      0.990358      2.139025
  C      -9.035392      1.354442      2.326579
  H      -4.743188     -1.354623      4.728757
  H      -5.021306     -0.018939      3.600760
  H      -2.501175     -1.782467      3.621269
  H      -3.891125     -2.015441      2.541955
  H      -1.932872     -0.804950      1.493733
  H      -2.150298      0.511495      2.662961
  H      -2.558112     -1.703441     -0.207945
  H      -2.722982     -1.806276     -2.661596
  H      -4.912256      1.979527     -4.102645
  H      -5.902385      3.982436     -2.930734
  H      -5.828380      4.061323     -0.417120
  H      -1.704420      5.777517      4.997821
  H      -2.770499      5.470468      6.373715
  H      -4.056928      6.732483      4.857083
  H      -4.679200      5.079252      4.768088
  H      -3.085604      4.732405      2.744895
  H      -3.041675      6.518106      2.632066
  H      -4.481028      8.196428      2.985853
  H      -6.269481      9.876686      2.802554
  H     -10.057576      7.766652      1.297522
  H     -10.609716      5.364607      0.701624
  H      -8.813275      3.649483      0.898093
  H      -6.973623      2.210273      7.154890
  H      -6.658585      1.840686      5.458052
  H      -6.573046      4.373804      5.020388
  H      -7.284595      4.601751      6.631168
  H      -9.045774      4.557494      4.867767
  H      -9.226465      3.104241      5.907713
  H     -11.012358      3.351487      4.299617
  H     -12.703315      2.385580      2.776229
  H     -10.583972     -0.490056     -0.098570
  H      -8.160817     -1.157988     -0.437258
  H      -6.416097     -0.138854      1.043276
  N      -4.486918      2.550499      3.428454
  N      -5.491021      2.698992      2.463480
  H      -6.328599      2.060175      2.604414
  H      -5.117457      2.478104      1.477646
  H      -5.859012      3.667507      2.397134
103
Coordinates from ORCA-job orca E -6485.334093916861
  N      -3.515747      0.338926      5.027920
  Mo     -3.740911      2.317133      5.054179
  N      -5.055265      2.733635      6.450936
  C      -4.598529      2.951045      7.822345
  C      -3.564332      1.877539      8.160173
  N      -2.550870      1.843026      7.080404
  C      -1.944519      0.508656      6.882579
  C      -2.911086     -0.388348      6.140291
  C      -1.505218      2.883845      7.249261
  C      -1.128443      3.365577      5.852566
  N      -2.343485      3.784841      5.161197
  H      -2.362349     -1.280079      5.789107
  H      -3.704390     -0.762968      6.818400
  H      -1.046764      0.655732      6.265790
  H      -1.631206      0.061648      7.843117
  H      -0.393223      4.188971      5.904951
  H      -0.641997      2.545442      5.295784
  H      -1.938482      3.718439      7.818626
  H      -0.649380      2.487920      7.824653
  H      -5.438359      2.893000      8.534029
  H      -4.150240      3.953857      7.934821
  H      -4.066521      0.900982      8.191524
  H      -3.088073      2.055192      9.140460
  C      -4.234579     -0.559273      4.114437
  C      -3.315959     -1.228221      3.077470
  C      -2.644033     -0.252607      2.131290
  O      -3.606460      0.435050      1.289028
  C      -3.594238      0.221246     -0.040332
  C      -3.020973     -0.851106     -0.708008
  C      -3.137176     -0.933015     -2.113100
  N      -3.751038     -0.050711     -2.886186
  C      -4.320074      1.014944     -2.250600
  C      -4.970139      2.015822     -3.017323
  C      -5.538629      3.101197     -2.385125
  C      -5.472556      3.182618     -0.977577
  N      -4.873460      2.267257     -0.226535
  C      -4.289048      1.197619     -0.833237
  C      -2.597791      5.217180      5.320593
  C      -3.804991      5.715857      4.538395
  C      -3.594235      5.657029      3.033231
  O      -4.856057      5.545060      2.329011
  C      -5.717241      6.579762      2.313699
  C      -5.444048      7.891323      2.663626
  C      -6.471985      8.855211      2.557190
  N      -7.707646      8.617514      2.147095
  C      -7.993638      7.327176      1.804393
  C      -9.299014      6.995757      1.361862
  C      -9.589641      5.690289      1.025512
  C      -8.575517      4.713265      1.138391
  N      -7.342375      4.975076      1.551258
  C      -7.042508      6.262547      1.873655
  C      -6.491973      2.601100      6.233758
  C      -7.184397      3.894329      5.781652
  C      -8.552544      3.623555      5.183822
  O      -8.317908      2.758006      4.050203
  C      -9.357023      2.284628      3.348993
  C     -10.685822      2.638526      3.514894
  C     -11.652915      2.074669      2.653285
  N     -11.404210      1.204654      1.687467
  C     -10.100693      0.830406      1.525583
  C      -9.764528     -0.100186      0.512110
  C      -8.444773     -0.458279      0.328938
  C      -7.460031      0.113486      1.161096
  N      -7.731440      0.980080      2.128579
  C      -9.029551      1.340112      2.321189
  H      -4.738392     -1.345625      4.706277
  H      -5.022667     -0.005493      3.590097
  H      -2.510250     -1.772132      3.598587
  H      -3.889368     -1.975877      2.505222
  H      -1.896296     -0.755806      1.507022
  H      -2.140588      0.544577      2.698861
  H      -2.496178     -1.645834     -0.179848
  H      -2.696756     -1.794138     -2.622026
  H      -4.994077      1.896374     -4.102195
  H      -6.033303      3.890563     -2.950326
  H      -5.922457      4.018372     -0.439762
  H      -1.696861      5.779493      5.003677
  H      -2.755254      5.478698      6.387811
  H      -4.049964      6.735260      4.868487
  H      -4.670171      5.082563      4.784666
  H      -3.073171      4.729854      2.763553
  H      -3.024605      6.517285      2.646101
  H      -4.459494      8.198118      3.010515
  H      -6.247245      9.890367      2.831845
  H     -10.042352      7.792738      1.297247
  H     -10.583076      5.397085      0.680479
  H      -8.789539      3.673039      0.878545
  H      -6.974092      2.221142      7.152302
  H      -6.656163      1.842605      5.456376
  H      -6.564135      4.372446      5.007881
  H      -7.280664      4.609715      6.612404
  H      -9.037236      4.552158      4.845356
  H      -9.222281      3.107297      5.892481
  H     -10.994717      3.349728      4.278793
  H     -12.700086      2.373616      2.775176
  H     -10.567493     -0.504059     -0.105544
  H      -8.152113     -1.167995     -0.445586
  H      -6.406213     -0.140792      1.024542
  N      -4.472898      2.560120      3.418422
  N      -5.489148      2.693747      2.458683
  H      -6.321080      2.046622      2.610935
  H      -5.119025      2.470795      1.472769
  H      -5.868194      3.664882      2.390474
103
Coordinates from ORCA-job orca E -6485.333476349260
  N      -3.498932      0.332227      5.037693
  Mo     -3.758315      2.303647      5.089687
  N      -5.064371      2.697515      6.498187
  C      -4.599018      2.910568      7.866895
  C      -3.550134      1.848573      8.186643
  N      -2.546097      1.833870      7.096351
  C      -1.923507      0.507272      6.886965
  C      -2.881661     -0.399000      6.139751
  C      -1.512160      2.885526      7.261844
  C      -1.145960      3.366612      5.867915
  N      -2.366100      3.774770      5.178430
  H      -2.321073     -1.282578      5.777463
  H      -3.671089     -0.792611      6.816235
  H      -1.027438      0.667797      6.269829
  H      -1.603958      0.058903      7.844166
  H      -0.421476      4.192666      5.919931
  H      -0.654498      2.555997      5.312904
  H      -1.953867      3.712922      7.829790
  H      -0.650703      2.503000      7.835377
  H      -5.433623      2.838783      8.584607
  H      -4.159700      3.918133      7.984188
  H      -4.040378      0.865661      8.214056
  H      -3.066387      2.024383      9.163133
  C      -4.196613     -0.567099      4.111389
  C      -3.258922     -1.182827      3.057705
  C      -2.618449     -0.161722      2.137390
  O      -3.615394      0.485522      1.299320
  C      -3.648632      0.248463     -0.025060
  C      -3.120150     -0.849520     -0.686215
  C      -3.269445     -0.956863     -2.088905
  N      -3.877812     -0.079120     -2.866335
  C      -4.403101      1.008459     -2.238102
  C      -5.056726      2.001387     -3.008101
  C      -5.597569      3.103423     -2.381470
  C      -5.483900      3.206709     -0.981648
  N      -4.873494      2.300969     -0.226677
  C      -4.330626      1.218662     -0.824916
  C      -2.623305      5.208666      5.339090
  C      -3.824474      5.712844      4.551763
  C      -3.588146      5.662053      3.048850
  O      -4.830968      5.535416      2.315548
  C      -5.703208      6.561583      2.300548
  C      -5.443460      7.870936      2.675899
  C      -6.477811      8.830189      2.570445
  N      -7.709433      8.589529      2.137072
  C      -7.980305      7.302482      1.763895
  C      -9.270182      6.972491      1.283471
  C      -9.537419      5.675329      0.908525
  C      -8.519023      4.702209      1.024382
  N      -7.300822      4.962128      1.473621
  C      -7.020342      6.243720      1.829642
  C      -6.502455      2.577907      6.280773
  C      -7.172591      3.877796      5.792951
  C      -8.530851      3.623191      5.172445
  O      -8.293020      2.737182      4.053759
  C      -9.329413      2.284975      3.339828
  C     -10.654519      2.660163      3.493628
  C     -11.625963      2.106264      2.631139
  N     -11.383065      1.228250      1.672804
  C     -10.079616      0.839195      1.516142
  C      -9.746791     -0.096298      0.504351
  C      -8.431901     -0.468518      0.328444
  C      -7.445667      0.094914      1.163247
  N      -7.709493      0.965991      2.128681
  C      -9.006516      1.337927      2.315805
  H      -4.676669     -1.381243      4.688289
  H      -4.998937     -0.025381      3.600417
  H      -2.438477     -1.709234      3.562773
  H      -3.807116     -1.935303      2.469458
  H      -1.832466     -0.620054      1.506998
  H      -2.155925      0.654044      2.731195
  H      -2.605996     -1.642648     -0.155365
  H      -2.849907     -1.838524     -2.596204
  H      -5.119073      1.863479     -4.087687
  H      -6.112008      3.889344     -2.945376
  H      -5.929651      4.059260     -0.444144
  H      -1.720044      5.772213      5.024861
  H      -2.784614      5.466171      6.407988
  H      -4.075320      6.730778      4.885565
  H      -4.693064      5.077440      4.784817
  H      -3.047943      4.744233      2.788563
  H      -3.024230      6.532006      2.675534
  H      -4.462241      8.179940      3.041889
  H      -6.261343      9.864800      2.865643
  H     -10.017558      7.765429      1.218722
  H     -10.514096      5.385034      0.530255
  H      -8.717126      3.666824      0.737495
  H      -6.988602      2.227333      7.213500
  H      -6.677287      1.795826      5.516177
  H      -6.533425      4.332700      5.028173
  H      -7.272008      4.605943      6.609601
  H      -8.995561      4.558551      4.810444
  H      -9.219529      3.129225      5.876661
  H     -10.958011      3.377127      4.253135
  H     -12.672023      2.419272      2.747421
  H     -10.551048     -0.492010     -0.116436
  H      -8.141596     -1.180683     -0.445056
  H      -6.393546     -0.168160      1.023427
  N      -4.539550      2.566868      3.481403
  N      -5.493735      2.727342      2.476032
  H      -6.346702      2.092253      2.587377
  H      -5.089687      2.503913      1.501407
  H      -5.851695      3.710771      2.404974
103
Coordinates from ORCA-job orca E -6485.334767777012
  N      -3.522981      0.342611      5.016340
  Mo     -3.756353      2.317752      5.067872
  N      -5.071040      2.725016      6.466789
  C      -4.616023      2.926277      7.839729
  C      -3.584404      1.848747      8.167223
  N      -2.571718      1.825663      7.088044
  C      -1.964452      0.494255      6.881059
  C      -2.926716     -0.396476      6.124373
  C      -1.526820      2.863441      7.268709
  C      -1.141056      3.351230      5.877379
  N      -2.350591      3.779956      5.181514
  H      -2.376592     -1.286206      5.766528
  H      -3.724972     -0.778041      6.794292
  H      -1.063619      0.645967      6.271616
  H      -1.656931      0.038680      7.839368
  H      -0.408164      4.170905      5.940930
  H      -0.652120      2.537386      5.319903
  H      -1.962963      3.695295      7.838202
  H      -0.676230      2.462828      7.849356
  H      -5.456040      2.864148      8.547933
  H      -4.164710      3.924647      7.963642
  H      -4.087286      0.873550      8.185963
  H      -3.107427      2.013701      9.148983
  C      -4.210982     -0.547108      4.076766
  C      -3.267071     -1.169267      3.034886
  C      -2.592806     -0.147315      2.136722
  O      -3.553637      0.539560      1.293735
  C      -3.587871      0.276076     -0.025225
  C      -3.017508     -0.808762     -0.677946
  C      -3.178019     -0.936140     -2.074870
  N      -3.835954     -0.091380     -2.852656
  C      -4.398439      0.983129     -2.232906
  C      -5.097836      1.941298     -3.006124
  C      -5.672686      3.030391     -2.387291
  C      -5.555556      3.157628     -0.988090
  N      -4.905465      2.284352     -0.231039
  C      -4.320107      1.212745     -0.825605
  C      -2.588400      5.216881      5.341327
  C      -3.790604      5.728183      4.559027
  C      -3.570940      5.666552      3.053849
  O      -4.826682      5.555469      2.339135
  C      -5.680846      6.595045      2.318382
  C      -5.394932      7.907930      2.658938
  C      -6.414839      8.879796      2.544036
  N      -7.654811      8.648608      2.134724
  C      -7.953896      7.356713      1.802600
  C      -9.259368      7.033576      1.358647
  C      -9.558583      5.728473      1.030629
  C      -8.555668      4.742142      1.155124
  N      -7.322305      4.996052      1.570277
  C      -7.011350      6.284978      1.880958
  C      -6.508322      2.603466      6.241906
  C      -7.182387      3.895099      5.752417
  C      -8.545154      3.628917      5.144410
  O      -8.304511      2.739935      4.028133
  C      -9.343531      2.264428      3.325566
  C     -10.672523      2.623109      3.481555
  C     -11.637678      2.044562      2.626439
  N     -11.386052      1.160357      1.672592
  C     -10.081571      0.787130      1.516095
  C      -9.740947     -0.155472      0.513021
  C      -8.424238     -0.513290      0.338126
  C      -7.440126      0.074349      1.160639
  N      -7.713078      0.952388      2.118031
  C      -9.013624      1.309047      2.307885
  H      -4.701342     -1.359213      4.643889
  H      -5.005352      0.001888      3.559179
  H      -2.464405     -1.720323      3.548612
  H      -3.819704     -1.904757      2.429781
  H      -1.812223     -0.610398      1.514603
  H      -2.125420      0.646564      2.742625
  H      -2.462628     -1.577417     -0.144676
  H      -2.734194     -1.803810     -2.572065
  H      -5.160846      1.787005     -4.083438
  H      -6.213077      3.788574     -2.956988
  H      -6.017980      4.000910     -0.457215
  H      -1.679411      5.769604      5.020402
  H      -2.740693      5.481724      6.411634
  H      -4.027061      6.750620      4.888912
  H      -4.664140      5.103353      4.802247
  H      -3.048877      4.741116      2.790585
  H      -2.997825      6.523978      2.672072
  H      -4.405365      8.209853      3.003396
  H      -6.179411      9.916284      2.809633
  H      -9.993931      7.836685      1.285100
  H     -10.549133      5.442646      0.682108
  H      -8.777410      3.701268      0.901876
  H      -7.002189      2.250445      7.167822
  H      -6.675775      1.826122      5.479455
  H      -6.546793      4.345855      4.977712
  H      -7.280413      4.630485      6.564129
  H      -9.018046      4.557708      4.783710
  H      -9.228248      3.132148      5.853476
  H     -10.983400      3.345264      4.235425
  H     -12.681735      2.344576      2.739985
  H     -10.543278     -0.570546     -0.099462
  H      -8.130813     -1.232895     -0.425505
  H      -6.384186     -0.176954      1.021893
  N      -4.498751      2.574056      3.438826
  N      -5.494547      2.707769      2.459960
  H      -6.323291      2.052202      2.597632
  H      -5.111271      2.493310      1.477332
  H      -5.886574      3.677806      2.391855
103
Coordinates from ORCA-job orca E -6485.334317395948
  N      -3.528930      0.347315      5.010126
  Mo     -3.765640      2.323626      5.073253
  N      -5.079902      2.727692      6.471938
  C      -4.624419      2.940276      7.846764
  C      -3.599152      1.855191      8.177944
  N      -2.584211      1.823534      7.094523
  C      -1.983449      0.485059      6.891373
  C      -2.945232     -0.398121      6.125696
  C      -1.533199      2.858014      7.274088
  C      -1.151397      3.345774      5.884493
  N      -2.362934      3.780017      5.196114
  H      -2.394314     -1.288670      5.770974
  H      -3.751556     -0.778975      6.786970
  H      -1.074310      0.628989      6.287627
  H      -1.686870      0.026065      7.852095
  H      -0.409520      4.161467      5.947168
  H      -0.671031      2.527973      5.321848
  H      -1.963598      3.690431      7.846222
  H      -0.682073      2.456052      7.850376
  H      -5.466195      2.890032      8.563344
  H      -4.164620      3.942987      7.960802
  H      -4.108943      0.879246      8.201139
  H      -3.122035      2.021973      9.160431
  C      -4.188552     -0.542368      4.038639
  C      -3.206788     -1.141908      3.010421
  C      -2.533833     -0.108097      2.128675
  O      -3.486303      0.581484      1.282761
  C      -3.552864      0.275876     -0.028662
  C      -2.993726     -0.821271     -0.660408
  C      -3.189970     -0.992103     -2.051489
  N      -3.877576     -0.181511     -2.839725
  C      -4.449396      0.906658     -2.234030
  C      -5.197881      1.829764     -3.013784
  C      -5.778082      2.928904     -2.409598
  C      -5.621461      3.105448     -1.015843
  N      -4.927387      2.267074     -0.252911
  C      -4.334066      1.182504     -0.834252
  C      -2.598456      5.211825      5.362402
  C      -3.791201      5.733720      4.571981
  C      -3.559211      5.670766      3.070747
  O      -4.814431      5.574568      2.349146
  C      -5.665600      6.617641      2.336970
  C      -5.380483      7.924009      2.689096
  C      -6.398822      8.898358      2.582186
  N      -7.634895      8.675129      2.171866
  C      -7.934169      7.390349      1.830796
  C      -9.246178      7.073509      1.397228
  C      -9.551562      5.771018      1.063703
  C      -8.545421      4.783415      1.172963
  N      -7.306795      5.031558      1.581528
  C      -6.994288      6.316309      1.898660
  C      -6.517370      2.612481      6.244718
  C      -7.180573      3.898346      5.730829
  C      -8.547192      3.621707      5.128235
  O      -8.312852      2.723669      4.025195
  C      -9.343805      2.245472      3.318539
  C     -10.675077      2.590684      3.476316
  C     -11.634060      2.012862      2.616505
  N     -11.374689      1.144977      1.653889
  C     -10.066230      0.788865      1.491816
  C      -9.718125     -0.131892      0.475554
  C      -8.389907     -0.467324      0.286728
  C      -7.414175      0.113399      1.122542
  N      -7.697618      0.969558      2.095920
  C      -9.001878      1.309461      2.288912
  H      -4.683786     -1.368163      4.588179
  H      -4.982339     -0.001762      3.504521
  H      -2.405272     -1.686730      3.541658
  H      -3.735071     -1.880420      2.383223
  H      -1.748344     -0.556275      1.511857
  H      -2.083201      0.680423      2.744748
  H      -2.418425     -1.568087     -0.116872
  H      -2.757015     -1.865996     -2.531055
  H      -5.282998      1.638667     -4.088428
  H      -6.336971      3.656774     -2.988876
  H      -6.049531      3.951306     -0.509467
  H      -1.691743      5.762218      5.056865
  H      -2.758164      5.464139      6.426410
  H      -4.025200      6.757136      4.899600
  H      -4.668337      5.113383      4.808578
  H      -3.045341      4.731872      2.810532
  H      -2.969342      6.525032      2.692979
  H      -4.394267      8.218059      3.038643
  H      -6.163984      9.929654      2.856419
  H      -9.983828      7.878364      1.339708
  H     -10.553410      5.488438      0.725855
  H      -8.773073      3.745668      0.916044
  H      -7.016711      2.277931      7.171571
  H      -6.687615      1.827928      5.496653
  H      -6.541052      4.330233      4.941189
  H      -7.271421      4.652078      6.529946
  H      -9.017651      4.542386      4.755983
  H      -9.230698      3.135558      5.845521
  H     -10.993769      3.300016      4.238271
  H     -12.691017      2.293413      2.745650
  H     -10.514864     -0.541853     -0.145382
  H      -8.086012     -1.165449     -0.493891
  H      -6.359036     -0.125691      0.982812
  N      -4.508459      2.588210      3.448512
  N      -5.491735      2.733100      2.463373
  H      -6.320492      2.078717      2.591808
  H      -5.105367      2.520777      1.482821
  H      -5.877825      3.702578      2.401060
103
Coordinates from ORCA-job orca E -6485.335523596383
  N      -3.485119      0.357383      5.002212
  Mo     -3.746745      2.329431      5.080181
  N      -5.079052      2.703588      6.472034
  C      -4.639660      2.892961      7.853674
  C      -3.599911      1.820955      8.176430
  N      -2.576905      1.823469      7.104572
  C      -1.953134      0.499907      6.889769
  C      -2.896063     -0.390383      6.109365
  C      -1.543973      2.869894      7.308425
  C      -1.152186      3.379759      5.926915
  N      -2.361215      3.807045      5.229616
  H      -2.331459     -1.268414      5.746287
  H      -3.698304     -0.789647      6.763214
  H      -1.044939      0.666659      6.294403
  H      -1.654645      0.035937      7.846962
  H      -0.425836      4.206895      6.008618
  H      -0.651235      2.577026      5.359838
  H      -1.993145      3.690460      7.884969
  H      -0.694642      2.470832      7.891242
  H      -5.486293      2.813347      8.555761
  H      -4.199574      3.896882      7.994347
  H      -4.092324      0.838601      8.177271
  H      -3.133557      1.977502      9.165108
  C      -4.125658     -0.527778      4.024845
  C      -3.140026     -1.106710      2.996107
  C      -2.491390     -0.053244      2.117206
  O      -3.468893      0.622134      1.286695
  C      -3.606388      0.266224     -0.002815
  C      -3.107258     -0.875529     -0.611810
  C      -3.370687     -1.095903     -1.982016
  N      -4.070483     -0.294046     -2.769162
  C      -4.572675      0.835340     -2.187838
  C      -5.325153      1.745468     -2.971334
  C      -5.834621      2.888423     -2.391301
  C      -5.597833      3.121997     -1.019790
  N      -4.897530      2.295440     -0.253570
  C      -4.380993      1.165938     -0.811294
  C      -2.610414      5.237345      5.408450
  C      -3.796073      5.757556      4.607911
  C      -3.534703      5.728684      3.108964
  O      -4.770116      5.619766      2.358459
  C      -5.640674      6.645918      2.345631
  C      -5.385832      7.954295      2.721115
  C      -6.421917      8.909307      2.610019
  N      -7.649258      8.664935      2.176504
  C      -7.918160      7.376701      1.812318
  C      -9.212737      7.037583      1.346897
  C      -9.482281      5.733887      0.987742
  C      -8.460043      4.765722      1.102093
  N      -7.236546      5.034728      1.538963
  C      -6.956699      6.322121      1.880612
  C      -6.514265      2.579823      6.231831
  C      -7.188532      3.870594      5.742832
  C      -8.550130      3.601930      5.129303
  O      -8.306027      2.732936      4.000572
  C      -9.341205      2.262017      3.290096
  C     -10.674532      2.590655      3.467394
  C     -11.636499      2.015576      2.607036
  N     -11.377389      1.165624      1.625812
  C     -10.067308      0.826986      1.443670
  C      -9.718910     -0.079130      0.411498
  C      -8.395241     -0.410414      0.217179
  C      -7.416043      0.168693      1.051048
  N      -7.697160      1.016858      2.032896
  C      -9.002030      1.345806      2.240624
  H      -4.610670     -1.363930      4.560600
  H      -4.921639      0.011963      3.497645
  H      -2.329432     -1.645024      3.516431
  H      -3.661538     -1.848519      2.369648
  H      -1.699767     -0.482251      1.490309
  H      -2.053665      0.743629      2.733643
  H      -2.530699     -1.618732     -0.063013
  H      -2.979095     -2.003769     -2.445915
  H      -5.476878      1.510156     -4.026611
  H      -6.408722      3.608869     -2.972084
  H      -5.990183      4.012340     -0.524422
  H      -1.700420      5.798613      5.117076
  H      -2.784830      5.481459      6.477491
  H      -4.046542      6.770980      4.951672
  H      -4.670253      5.122788      4.816347
  H      -2.995422      4.811861      2.841010
  H      -2.958461      6.600815      2.761193
  H      -4.409627      8.264902      3.089869
  H      -6.211158      9.942905      2.901796
  H      -9.963703      7.827068      1.284470
  H     -10.466106      5.436282      0.622622
  H      -8.658414      3.727120      0.823316
  H      -7.015420      2.224682      7.150592
  H      -6.673559      1.805629      5.468536
  H      -6.550143      4.328100      4.970980
  H      -7.292348      4.602369      6.558368
  H      -9.027603      4.530510      4.780069
  H      -9.232274      3.092754      5.831582
  H     -10.992805      3.282777      4.245431
  H     -12.689306      2.282883      2.748170
  H     -10.518340     -0.489764     -0.207018
  H      -8.094449     -1.103863     -0.568403
  H      -6.358314     -0.067961      0.904109
  N      -4.476801      2.594985      3.447828
  N      -5.460868      2.714162      2.455768
  H      -6.261438      2.021973      2.567638
  H      -5.057588      2.533244      1.475163
  H      -5.891133      3.668119      2.402582
103
Coordinates from ORCA-job orca E -6485.333876461126
  N      -3.528331      0.375208      4.957448
  Mo     -3.768567      2.349280      5.048196
  N      -5.104408      2.729857      6.435464
  C      -4.673444      2.898671      7.820627
  C      -3.647951      1.813457      8.138690
  N      -2.620712      1.811407      7.074565
  C      -2.014798      0.483014      6.856031
  C      -2.962634     -0.389072      6.060927
  C      -1.572803      2.838442      7.293472
  C      -1.163777      3.355697      5.917935
  N      -2.362032      3.810034      5.219673
  H      -2.407358     -1.272013      5.693901
  H      -3.775966     -0.782132      6.704678
  H      -1.100924      0.641669      6.270995
  H      -1.731391      0.010064      7.812674
  H      -0.429553      4.171585      6.014153
  H      -0.669874      2.554243      5.345349
  H      -2.012472      3.661264      7.873998
  H      -0.734882      2.419247      7.879507
  H      -5.525072      2.817272      8.511517
  H      -4.226541      3.893849      7.978222
  H      -4.150488      0.838935      8.125581
  H      -3.184480      1.953254      9.130584
  C      -4.140031     -0.491055      3.958475
  C      -3.128744     -1.068407      2.962241
  C      -2.446610     -0.005014      2.118523
  O      -3.406660      0.687050      1.279396
  C      -3.595740      0.284538      0.015663
  C      -3.142803     -0.898660     -0.554127
  C      -3.446240     -1.170786     -1.904431
  N      -4.147818     -0.383977     -2.703966
  C      -4.600349      0.780962     -2.161126
  C      -5.355960      1.666496     -2.961337
  C      -5.821096      2.842736     -2.418454
  C      -5.530693      3.133266     -1.070837
  N      -4.821968      2.330715     -0.289456
  C      -4.357297      1.168895     -0.810255
  C      -2.583923      5.244190      5.411507
  C      -3.778579      5.778882      4.638157
  C      -3.558190      5.721287      3.132849
  O      -4.815445      5.619412      2.421618
  C      -5.650226      6.675032      2.401233
  C      -5.325209      7.991615      2.696676
  C      -6.327985      8.982744      2.582340
  N      -7.587129      8.766110      2.217331
  C      -7.924892      7.469876      1.935062
  C      -9.248017      7.160799      1.538027
  C      -9.581105      5.852929      1.260413
  C      -8.598196      4.848025      1.393058
  N      -7.349494      5.088490      1.765293
  C      -7.002167      6.380546      2.018191
  C      -6.537505      2.617095      6.181976
  C      -7.194855      3.905052      5.663189
  C      -8.537933      3.629850      5.019879
  O      -8.258227      2.733776      3.915451
  C      -9.280741      2.230122      3.206540
  C     -10.618400      2.546635      3.363464
  C     -11.568771      1.921052      2.525106
  N     -11.292176      1.035812      1.579700
  C      -9.976177      0.709482      1.415929
  C      -9.610725     -0.239605      0.426278
  C      -8.289937     -0.576988      0.267062
  C      -7.322499      0.044266      1.083227
  N      -7.614120      0.942489      2.017571
  C      -8.923453      1.274433      2.197871
  H      -4.648526     -1.327666      4.463633
  H      -4.909060      0.064941      3.414127
  H      -2.343461     -1.624814      3.495438
  H      -3.639939     -1.795314      2.312794
  H      -1.638327     -0.429843      1.499957
  H      -2.020827      0.785638      2.758024
  H      -2.571178     -1.630739      0.012725
  H      -3.084089     -2.108955     -2.341052
  H      -5.553314      1.386176     -3.995515
  H      -6.412567      3.547676     -3.008907
  H      -5.910362      4.059884     -0.598327
  H      -1.668014      5.791384      5.097781
  H      -2.731060      5.492988      6.488560
  H      -3.998656      6.800235      4.976454
  H      -4.659533      5.164283      4.876830
  H      -3.040829      4.795417      2.868496
  H      -2.979655      6.576428      2.754311
  H      -4.317215      8.281816      2.999293
  H      -6.060491     10.023199      2.806901
  H      -9.966452      7.976790      1.458916
  H     -10.583612      5.580884      0.944583
  H      -8.847692      3.804314      1.182207
  H      -7.053180      2.279532      7.100513
  H      -6.694023      1.830089      5.426418
  H      -6.538914      4.351105      4.904990
  H      -7.318868      4.645225      6.465430
  H      -9.007645      4.552262      4.638708
  H      -9.237823      3.133943      5.713790
  H     -10.950212      3.263091      4.112315
  H     -12.624155      2.176591      2.651560
  H     -10.402008     -0.685019     -0.178578
  H      -7.978597     -1.308818     -0.478643
  H      -6.261994     -0.203101      0.959728
  N      -4.489775      2.635359      3.412454
  N      -5.467679      2.796120      2.413231
  H      -6.330902      2.181165      2.549315
  H      -5.085140      2.544601      1.438989
  H      -5.817531      3.784201      2.320142
103
Coordinates from ORCA-job orca E -6485.335815927060
  N      -3.511300      0.376983      4.955549
  Mo     -3.761418      2.350390      5.066795
  N      -5.095882      2.708253      6.462387
  C      -4.662840      2.864663      7.849163
  C      -3.631114      1.779999      8.153124
  N      -2.605461      1.797708      7.086162
  C      -1.989154      0.475475      6.851719
  C      -2.934244     -0.393801      6.051514
  C      -1.566937      2.833548      7.315582
  C      -1.164768      3.371000      5.944501
  N      -2.368184      3.820891      5.250610
  H      -2.374746     -1.267949      5.674484
  H      -3.740998     -0.798123      6.694779
  H      -1.077961      0.647017      6.264316
  H      -1.698491     -0.006040      7.802493
  H      -0.434811      4.193830      6.047243
  H      -0.664094      2.576904      5.362413
  H      -2.013500      3.646549      7.906727
  H      -0.723653      2.415382      7.895040
  H      -5.512526      2.771192      8.542644
  H      -4.221071      3.861590      8.015949
  H      -4.128213      0.801592      8.130592
  H      -3.166756      1.911868      9.146051
  C      -4.124508     -0.485721      3.946615
  C      -3.117337     -1.054760      2.937321
  C      -2.446738      0.012348      2.088692
  O      -3.406385      0.723595      1.268600
  C      -3.617325      0.319113      0.006349
  C      -3.158705     -0.853777     -0.577851
  C      -3.488823     -1.122744     -1.923037
  N      -4.219554     -0.341488     -2.704221
  C      -4.679686      0.815967     -2.146045
  C      -5.462506      1.700182     -2.926410
  C      -5.929045      2.870435     -2.368198
  C      -5.621563      3.157059     -1.021435
  N      -4.891964      2.355324     -0.258075
  C      -4.415463      1.199512     -0.797286
  C      -2.605605      5.251390      5.442004
  C      -3.784854      5.782784      4.639056
  C      -3.521701      5.754461      3.139733
  O      -4.756004      5.652256      2.387257
  C      -5.618232      6.685163      2.373072
  C      -5.351166      7.992902      2.744738
  C      -6.377569      8.957044      2.627447
  N      -7.606039      8.722862      2.190476
  C      -7.887071      7.435546      1.829170
  C      -9.181667      7.107260      1.355064
  C      -9.461504      5.805169      0.995258
  C      -8.450798      4.827922      1.118084
  N      -7.228449      5.086394      1.564332
  C      -6.936676      6.371900      1.905522
  C      -6.530214      2.594659      6.214890
  C      -7.193683      3.884171      5.715118
  C      -8.543363      3.609281      5.081676
  O      -8.272077      2.713795      3.977975
  C      -9.292752      2.229952      3.252178
  C     -10.625235      2.587371      3.371029
  C     -11.567731      1.993281      2.501115
  N     -11.290816      1.098949      1.563914
  C      -9.983304      0.727539      1.443949
  C      -9.619615     -0.234083      0.468047
  C      -8.301878     -0.614351      0.349668
  C      -7.341129     -0.025079      1.198010
  N      -7.634392      0.883785      2.120886
  C      -8.936386      1.259547      2.256992
  H      -4.629804     -1.328697      4.448680
  H      -4.900267      0.070997      3.408473
  H      -2.324944     -1.613837      3.463528
  H      -3.633254     -1.779762      2.287358
  H      -1.656037     -0.409415      1.455349
  H      -2.008707      0.792063      2.723808
  H      -2.560008     -1.579833     -0.026834
  H      -3.124355     -2.051436     -2.370709
  H      -5.673155      1.422966     -3.959960
  H      -6.531435      3.571247     -2.945726
  H      -5.990266      4.071907     -0.540850
  H      -1.688329      5.806889      5.156021
  H      -2.781768      5.492080      6.513707
  H      -4.025510      6.797297      4.985025
  H      -4.664857      5.154857      4.843041
  H      -2.985851      4.838295      2.870426
  H      -2.941341      6.623442      2.795387
  H      -4.372733      8.296053      3.113947
  H      -6.157435      9.989821      2.915805
  H      -9.923307      7.903767      1.285177
  H     -10.444399      5.516797      0.621626
  H      -8.656279      3.790981      0.837748
  H      -7.040866      2.245932      7.130054
  H      -6.688512      1.819656      5.453737
  H      -6.543820      4.338353      4.951380
  H      -7.311999      4.619527      6.525056
  H      -9.012228      4.531230      4.703818
  H      -9.241072      3.114463      5.779216
  H     -10.956846      3.318938      4.106491
  H     -12.616069      2.285389      2.592128
  H     -10.405624     -0.653051     -0.162741
  H      -7.990713     -1.356207     -0.385906
  H      -6.287611     -0.308253      1.113836
  N      -4.480382      2.645227      3.433322
  N      -5.474501      2.785979      2.448517
  H      -6.293775      2.115308      2.560863
  H      -5.080892      2.599653      1.467890
  H      -5.883261      3.750011      2.396881
103
Coordinates from ORCA-job orca E -6485.331513932695
  N      -3.427705      0.388263      5.003238
  Mo     -3.709271      2.357993      5.112317
  N      -5.075568      2.695580      6.480189
  C      -4.668581      2.860328      7.876982
  C      -3.622614      1.794069      8.199888
  N      -2.576793      1.828936      7.147214
  C      -1.930603      0.514641      6.923849
  C      -2.850901     -0.372214      6.111340
  C      -1.561290      2.885748      7.390166
  C      -1.145889      3.419970      6.027827
  N      -2.343696      3.844309      5.309140
  H      -2.272564     -1.240887      5.745517
  H      -3.662709     -0.787560      6.744996
  H      -1.010287      0.699252      6.348937
  H      -1.647547      0.039589      7.880522
  H      -0.430196      4.252355      6.139339
  H      -0.624278      2.631735      5.461538
  H      -2.032600      3.691284      7.967875
  H      -0.720453      2.489922      7.985091
  H      -5.531353      2.753519      8.560497
  H      -4.245134      3.870013      8.050278
  H      -4.102919      0.803839      8.171913
  H      -3.178176      1.937271      9.200943
  C      -4.041858     -0.490505      3.996082
  C      -3.040277     -1.049124      2.966581
  C      -2.418256      0.019659      2.086482
  O      -3.413462      0.692788      1.276895
  C      -3.701061      0.232842      0.044946
  C      -3.295576     -0.967448     -0.513701
  C      -3.700489     -1.284572     -1.832524
  N      -4.452350     -0.524917     -2.612431
  C      -4.866169      0.664657     -2.077314
  C      -5.668740      1.540627     -2.855107
  C      -6.083931      2.744451     -2.320213
  C      -5.706598      3.071037     -0.998934
  N      -4.959879      2.278227     -0.238576
  C      -4.530840      1.093436     -0.754819
  C      -2.605645      5.271150      5.480277
  C      -3.787580      5.782268      4.665266
  C      -3.520932      5.729941      3.167367
  O      -4.753596      5.609143      2.413902
  C      -5.620484      6.638196      2.376785
  C      -5.360204      7.954696      2.713060
  C      -6.391982      8.910809      2.573448
  N      -7.618431      8.661072      2.145684
  C      -7.892389      7.366095      1.819144
  C      -9.186994      7.021910      1.357245
  C      -9.461612      5.710598      1.033121
  C      -8.444875      4.740469      1.183259
  N      -7.221802      5.014452      1.619421
  C      -6.937101      6.308937      1.921727
  C      -6.505456      2.556458      6.208510
  C      -7.191109      3.844034      5.718035
  C      -8.539641      3.565757      5.074170
  O      -8.272987      2.740004      3.920925
  C      -9.290040      2.252536      3.198625
  C     -10.637657      2.491119      3.411341
  C     -11.578541      1.908282      2.533747
  N     -11.285833      1.137049      1.500451
  C      -9.959601      0.893360      1.278641
  C      -9.573094      0.083354      0.183665
  C      -8.230646     -0.149875     -0.049985
  C      -7.276967      0.432116      0.810524
  N      -7.594487      1.195865      1.847916
  C      -8.913787      1.425071      2.092321
  H      -4.532033     -1.341064      4.511970
  H      -4.835578      0.048516      3.463040
  H      -2.222716     -1.581005      3.481993
  H      -3.552795     -1.795622      2.336180
  H      -1.628706     -0.388800      1.440322
  H      -1.988340      0.820663      2.703450
  H      -2.683112     -1.678593      0.034828
  H      -3.376367     -2.234959     -2.260626
  H      -5.931065      1.230506     -3.870255
  H      -6.691556      3.438176     -2.897932
  H      -6.015837      4.003800     -0.543415
  H      -1.699229      5.836660      5.196893
  H      -2.791597      5.514838      6.543491
  H      -4.038310      6.801862      4.992791
  H      -4.663793      5.152085      4.879440
  H      -2.981505      4.805916      2.911687
  H      -2.942726      6.598927      2.807957
  H      -4.382651      8.270587      3.071543
  H      -6.176370      9.951018      2.833746
  H      -9.934352      7.814016      1.268416
  H     -10.446779      5.409261      0.669227
  H      -8.649273      3.695864      0.935776
  H      -7.018468      2.192839      7.117746
  H      -6.642341      1.781194      5.440302
  H      -6.546006      4.328021      4.967262
  H      -7.324083      4.559143      6.545182
  H      -9.029372      4.494668      4.743816
  H      -9.221875      3.026852      5.753254
  H     -10.984305      3.115636      4.232779
  H     -12.647258      2.099427      2.709381
  H     -10.355041     -0.330808     -0.453520
  H      -7.897896     -0.765308     -0.886658
  H      -6.210517      0.271802      0.635827
  N      -4.410882      2.643992      3.472690
  N      -5.344382      2.765824      2.442713
  H      -6.117328      2.043151      2.502136
  H      -4.889020      2.623456      1.482905
  H      -5.802297      3.707950      2.395193
103
Coordinates from ORCA-job orca E -6485.335981922997
  N      -3.507936      0.371045      4.951857
  Mo     -3.765444      2.343533      5.062658
  N      -5.104411      2.706716      6.452172
  C      -4.673760      2.870705      7.840492
  C      -3.642729      1.787507      8.151460
  N      -2.613268      1.801247      7.084903
  C      -1.994276      0.476580      6.857136
  C      -2.935372     -0.397408      6.054172
  C      -1.576082      2.838706      7.312131
  C      -1.172207      3.366406      5.942603
  N      -2.374452      3.812906      5.245570
  H      -2.371423     -1.272825      5.682688
  H      -3.746988     -0.802297      6.693947
  H      -1.078556      0.645781      6.272726
  H      -1.708158     -0.001091      7.811294
  H      -0.442539      4.187409      6.044439
  H      -0.671923      2.571278      5.366312
  H      -2.024710      3.653228      7.896207
  H      -0.734002      2.427100      7.895525
  H      -5.526727      2.781445      8.535402
  H      -4.230721      3.871442      8.003137
  H      -4.140125      0.807153      8.132840
  H      -3.180666      1.924960      9.145018
  C      -4.109707     -0.493268      3.932097
  C      -3.083587     -1.045686      2.927681
  C      -2.413181      0.033459      2.093951
  O      -3.359299      0.736947      1.251088
  C      -3.579897      0.303094     -0.001443
  C      -3.129133     -0.882518     -0.560742
  C      -3.457740     -1.178217     -1.903427
  N      -4.178026     -0.411191     -2.705259
  C      -4.634362      0.760854     -2.170715
  C      -5.411173      1.634061     -2.972596
  C      -5.877770      2.816476     -2.437736
  C      -5.575153      3.125147     -1.094307
  N      -4.849647      2.335964     -0.310548
  C      -4.373907      1.170145     -0.826415
  C      -2.608126      5.243077      5.437887
  C      -3.787939      5.784042      4.643640
  C      -3.529918      5.751258      3.144826
  O      -4.769406      5.653143      2.400635
  C      -5.624578      6.692610      2.389073
  C      -5.341843      8.002757      2.737272
  C      -6.364393      8.973033      2.627082
  N      -7.603002      8.742152      2.218441
  C      -7.899330      7.452733      1.882217
  C      -9.206120      7.127577      1.442229
  C      -9.501853      5.822687      1.110802
  C      -8.495025      4.839075      1.231200
  N      -7.261215      5.094916      1.645641
  C      -6.954315      6.383329      1.954772
  C      -6.540037      2.599458      6.203402
  C      -7.194951      3.893156      5.692449
  C      -8.551869      3.628266      5.066387
  O      -8.299984      2.734386      3.959942
  C      -9.325577      2.246402      3.248719
  C     -10.660599      2.583479      3.391768
  C     -11.609477      1.978349      2.537513
  N     -11.335369      1.092887      1.593483
  C     -10.022403      0.744305      1.447662
  C      -9.657252     -0.203481      0.459937
  C      -8.331494     -0.554829      0.313454
  C      -7.368828      0.048363      1.149052
  N      -7.663253      0.945268      2.081572
  C      -8.970287      1.290535      2.243177
  H      -4.616729     -1.344277      4.425555
  H      -4.883902      0.059827      3.387212
  H      -2.291296     -1.595308      3.461548
  H      -3.581583     -1.775685      2.268346
  H      -1.598845     -0.372187      1.475255
  H      -2.002497      0.818494      2.744616
  H      -2.536461     -1.596772      0.005865
  H      -3.097714     -2.116977     -2.332112
  H      -5.617057      1.338035     -4.003531
  H      -6.473872      3.508896     -3.031743
  H      -5.939813      4.045278     -0.637539
  H      -1.692937      5.796441      5.150328
  H      -2.777805      5.478473      6.508487
  H      -4.020521      6.801415      4.989060
  H      -4.671285      5.162553      4.853760
  H      -2.998907      4.828596      2.876691
  H      -2.946119      6.618657      2.794748
  H      -4.353505      8.303343      3.082215
  H      -6.130968     10.008426      2.895852
  H      -9.944983      7.928717      1.376348
  H     -10.495460      5.536504      0.764048
  H      -8.715533      3.799022      0.977683
  H      -7.050992      2.264537      7.124773
  H      -6.706016      1.815334      5.449430
  H      -6.543938      4.336626      4.923769
  H      -7.302619      4.635312      6.498011
  H      -9.016761      4.554264      4.692847
  H      -9.247113      3.138260      5.769017
  H     -10.990989      3.303800      4.137883
  H     -12.666490      2.250519      2.653819
  H     -10.444765     -0.631189     -0.161578
  H      -8.016242     -1.282001     -0.435652
  H      -6.312345     -0.210865      1.043365
  N      -4.483518      2.631838      3.428695
  N      -5.449780      2.755237      2.420662
  H      -6.241131      2.051736      2.513455
  H      -5.030824      2.587150      1.445397
  H      -5.891031      3.706711      2.369953
103
Coordinates from ORCA-job orca E -6485.332922560980
  N      -3.500330      0.376718      4.966103
  Mo     -3.759673      2.348759      5.099828
  N      -5.084482      2.687163      6.510049
  C      -4.643714      2.826149      7.895327
  C      -3.603329      1.744233      8.177799
  N      -2.586059      1.781150      7.104118
  C      -1.963773      0.465888      6.850844
  C      -2.909889     -0.400805      6.049457
  C      -1.554459      2.823015      7.339365
  C      -1.162794      3.380259      5.970970
  N      -2.372683      3.828042      5.285547
  H      -2.348360     -1.266008      5.659197
  H      -3.707236     -0.816109      6.695036
  H      -1.059560      0.650130      6.257996
  H      -1.661798     -0.023190      7.794205
  H      -0.437774      4.209176      6.078193
  H      -0.657514      2.594224      5.377812
  H      -2.004869      3.627428      7.941948
  H      -0.704873      2.403881      7.910544
  H      -5.487275      2.716364      8.590804
  H      -4.208560      3.821705      8.073724
  H      -4.093809      0.763788      8.146655
  H      -3.131968      1.866152      9.168522
  C      -4.109126     -0.475433      3.949469
  C      -3.099234     -1.024984      2.933364
  C      -2.437209      0.060796      2.098765
  O      -3.394011      0.788583      1.290722
  C      -3.634950      0.371110      0.038399
  C      -3.155240     -0.788807     -0.557995
  C      -3.517767     -1.069076     -1.890960
  N      -4.297450     -0.310150     -2.648335
  C      -4.776976      0.831644     -2.078002
  C      -5.609125      1.688979     -2.835502
  C      -6.097298      2.842434     -2.263626
  C      -5.766189      3.138429     -0.924737
  N      -4.989642      2.362809     -0.182168
  C      -4.486697      1.224280     -0.738577
  C      -2.617065      5.258631      5.466679
  C      -3.790594      5.771215      4.642783
  C      -3.502932      5.725114      3.147922
  O      -4.719278      5.599455      2.370369
  C      -5.595766      6.617942      2.326960
  C      -5.362575      7.928492      2.711365
  C      -6.397168      8.876724      2.557335
  N      -7.602667      8.625811      2.071664
  C      -7.850565      7.336186      1.694716
  C      -9.121081      6.990716      1.169046
  C      -9.369869      5.685852      0.792772
  C      -8.351435      4.723430      0.948842
  N      -7.150805      4.998249      1.443890
  C      -6.889614      6.286258      1.805486
  C      -6.518542      2.570540      6.265958
  C      -7.182364      3.862024      5.777639
  C      -8.524983      3.593638      5.127957
  O      -8.239621      2.736380      3.995934
  C      -9.260229      2.266596      3.258838
  C     -10.594706      2.611444      3.402724
  C     -11.541508      2.044416      2.518864
  N     -11.268200      1.186972      1.545751
  C      -9.961382      0.826862      1.400458
  C      -9.607220     -0.095212      0.384189
  C      -8.290656     -0.463866      0.234751
  C      -7.321288      0.098197      1.092154
  N      -7.603789      0.971806      2.053194
  C      -8.906952      1.334469      2.222463
  H      -4.611111     -1.327461      4.437024
  H      -4.886867      0.086643      3.420187
  H      -2.301297     -1.586098      3.450678
  H      -3.612420     -1.746866      2.278082
  H      -1.646850     -0.342983      1.457056
  H      -2.003696      0.831680      2.744489
  H      -2.511759     -1.493084     -0.025291
  H      -3.136223     -1.987025     -2.349695
  H      -5.839372      1.405391     -3.861766
  H      -6.737250      3.523807     -2.823537
  H      -6.156414      4.042827     -0.433856
  H      -1.699121      5.817944      5.185240
  H      -2.806652      5.507795      6.535710
  H      -4.042312      6.788319      4.972336
  H      -4.668943      5.139285      4.841302
  H      -2.952158      4.813510      2.901242
  H      -2.925128      6.594008      2.803993
  H      -4.405245      8.245007      3.120211
  H      -6.204925      9.910674      2.858051
  H      -9.870414      7.776212      1.074656
  H     -10.334494      5.384878      0.381587
  H      -8.532044      3.684383      0.657025
  H      -7.029852      2.212940      7.176185
  H      -6.673870      1.803838      5.499149
  H      -6.528222      4.330962      5.025966
  H      -7.311212      4.584919      6.597396
  H      -8.999447      4.523018      4.776123
  H      -9.223695      3.072935      5.805840
  H     -10.924365      3.313517      4.168419
  H     -12.585715      2.327582      2.627412
  H     -10.399991     -0.491983     -0.253878
  H      -7.986174     -1.174673     -0.533101
  H      -6.269114     -0.177862      0.983033
  N      -4.494934      2.650219      3.473303
  N      -5.538707      2.805977      2.537234
  H      -6.388290      2.195522      2.733189
  H      -5.217225      2.553669      1.547636
  H      -5.895785      3.787978      2.462892
103
Coordinates from ORCA-job orca E -6485.336351361174
  N      -3.510458      0.393367      4.934539
  Mo     -3.762314      2.367099      5.063059
  N      -5.105993      2.714400      6.453237
  C      -4.681844      2.856397      7.844728
  C      -3.652892      1.768622      8.144433
  N      -2.620495      1.795911      7.083491
  C      -2.002135      0.475258      6.842889
  C      -2.943238     -0.386653      6.029563
  C      -1.583364      2.829649      7.329170
  C      -1.170674      3.377665      5.966846
  N      -2.369134      3.834551      5.268866
  H      -2.382084     -1.259091      5.650114
  H      -3.755803     -0.794470      6.663975
  H      -1.086377      0.650537      6.262797
  H      -1.718554     -0.012953      7.792277
  H      -0.441530      4.198670      6.083195
  H      -0.665990      2.589258      5.381914
  H      -2.034416      3.637928      7.922453
  H      -0.744832      2.407367      7.911846
  H      -5.536794      2.754216      8.531377
  H      -4.242166      3.852509      8.025947
  H      -4.150050      0.790209      8.109412
  H      -3.194213      1.890809      9.141222
  C      -4.106620     -0.463867      3.910432
  C      -3.080762     -1.034029      2.919303
  C      -2.399365      0.034554      2.081364
  O      -3.344228      0.743753      1.242770
  C      -3.589519      0.292670      0.002342
  C      -3.126638     -0.889373     -0.558927
  C      -3.486021     -1.202801     -1.887786
  N      -4.246790     -0.456216     -2.673074
  C      -4.712263      0.708795     -2.136398
  C      -5.526190      1.558771     -2.923297
  C      -5.999715      2.735487     -2.385207
  C      -5.671355      3.059201     -1.052131
  N      -4.912771      2.290763     -0.281750
  C      -4.424677      1.133591     -0.804427
  C      -2.599257      5.265839      5.461622
  C      -3.774195      5.805917      4.658826
  C      -3.513239      5.770790      3.159617
  O      -4.750912      5.670740      2.413917
  C      -5.608014      6.707600      2.404570
  C      -5.329771      8.016319      2.764493
  C      -6.352614      8.985060      2.653137
  N      -7.587384      8.754504      2.232129
  C      -7.879697      7.466395      1.883935
  C      -9.181697      7.141650      1.428961
  C      -9.473003      5.838432      1.083968
  C      -8.466601      4.856437      1.204060
  N      -7.237498      5.111507      1.633043
  C      -6.934163      6.398160      1.957355
  C      -6.539702      2.601446      6.199153
  C      -7.202377      3.891945      5.697397
  C      -8.549508      3.616113      5.058723
  O      -8.274312      2.732601      3.946766
  C      -9.293255      2.236523      3.228419
  C     -10.631057      2.567361      3.366900
  C     -11.572822      1.964316      2.502449
  N     -11.290073      1.085832      1.552786
  C      -9.976549      0.740848      1.412947
  C      -9.606218     -0.201212      0.420899
  C      -8.281917     -0.552700      0.281016
  C      -7.323260      0.045488      1.125206
  N      -7.621479      0.938147      2.061962
  C      -8.929655      1.284214      2.218994
  H      -4.626195     -1.307555      4.398628
  H      -4.869027      0.097085      3.358528
  H      -2.296862     -1.590400      3.458991
  H      -3.584626     -1.763006      2.264316
  H      -1.593213     -0.380823      1.460078
  H      -1.978541      0.818139      2.725515
  H      -2.498945     -1.585233     -0.003542
  H      -3.115687     -2.138416     -2.319452
  H      -5.754401      1.251693     -3.944517
  H      -6.625587      3.412855     -2.967346
  H      -6.048276      3.979697     -0.589469
  H      -1.678485      5.816874      5.179156
  H      -2.776716      5.504262      6.533075
  H      -4.006112      6.823554      5.002543
  H      -4.659341      5.185797      4.865129
  H      -2.982029      4.850952      2.892384
  H      -2.930346      6.636615      2.810311
  H      -4.345050      8.316724      3.119874
  H      -6.123410     10.018765      2.931993
  H      -9.920125      7.941592      1.362118
  H     -10.462004      5.552996      0.725420
  H      -8.682195      3.818224      0.937523
  H      -7.052964      2.254421      7.114012
  H      -6.696715      1.824240      5.437878
  H      -6.550642      4.349818      4.938569
  H      -7.326403      4.624656      6.508755
  H      -9.023638      4.539434      4.688872
  H      -9.244503      3.111364      5.751433
  H     -10.968051      3.284078      4.114247
  H     -12.626156      2.235513      2.609319
  H     -10.391194     -0.626124     -0.206994
  H      -7.963848     -1.277139     -0.469063
  H      -6.265998     -0.215628      1.023793
  N      -4.470721      2.673299      3.426737
  N      -5.447595      2.818589      2.426383
  H      -6.268703      2.149698      2.529967
  H      -5.039837      2.629653      1.452987
  H      -5.853210      3.785385      2.365121
103
Coordinates from ORCA-job orca E -6485.335800027652
  N      -3.492566      0.369799      4.956087
  Mo     -3.759372      2.341422      5.076577
  N      -5.102251      2.690680      6.466420
  C      -4.673935      2.846098      7.857255
  C      -3.636049      1.767351      8.161628
  N      -2.605750      1.794274      7.094906
  C      -1.977634      0.474027      6.861082
  C      -2.915072     -0.401278      6.055076
  C      -1.575601      2.838436      7.327297
  C      -1.174591      3.376466      5.961078
  N      -2.379255      3.818703      5.264800
  H      -2.347694     -1.272690      5.679687
  H      -3.724233     -0.812105      6.694403
  H      -1.062746      0.651044      6.276576
  H      -1.688246     -0.005818      7.813307
  H      -0.450706      4.202091      6.068759
  H      -0.667629      2.588134      5.381149
  H      -2.029892      3.646838      7.915197
  H      -0.730744      2.430007      7.908522
  H      -5.527544      2.745767      8.551257
  H      -4.237556      3.849371      8.028077
  H      -4.127323      0.783379      8.136713
  H      -3.175104      1.901529      9.156331
  C      -4.076932     -0.490621      3.920192
  C      -3.041806     -1.024271      2.912714
  C      -2.370621      0.066965      2.095565
  O      -3.305879      0.787232      1.254467
  C      -3.584346      0.321816      0.023436
  C      -3.174842     -0.884748     -0.521713
  C      -3.563138     -1.210273     -1.842179
  N      -4.302471     -0.453148     -2.635992
  C      -4.716420      0.742102     -2.116664
  C      -5.507723      1.609999     -2.912521
  C      -5.929150      2.817030     -2.393301
  C      -5.567325      3.155480     -1.071415
  N      -4.828379      2.372101     -0.294318
  C      -4.395901      1.182118     -0.794663
  C      -2.619196      5.247251      5.456901
  C      -3.789653      5.789128      4.648212
  C      -3.507641      5.772696      3.152902
  O      -4.733123      5.664079      2.387219
  C      -5.603355      6.690538      2.365570
  C      -5.348394      8.004054      2.720095
  C      -6.385362      8.956964      2.595385
  N      -7.612786      8.706255      2.167879
  C      -7.882057      7.413188      1.826472
  C      -9.177391      7.066072      1.369455
  C      -9.447425      5.755949      1.036135
  C      -8.425622      4.789428      1.171028
  N      -7.200814      5.066859      1.599329
  C      -6.920277      6.360225      1.911385
  C      -6.538493      2.582192      6.215083
  C      -7.199082      3.877204      5.713135
  C      -8.555697      3.613684      5.081739
  O      -8.306597      2.743585      3.956368
  C      -9.334022      2.255566      3.247510
  C     -10.672549      2.566316      3.417355
  C     -11.623617      1.965061      2.562712
  N     -11.348644      1.108186      1.593341
  C     -10.032088      0.786334      1.419989
  C      -9.664732     -0.128993      0.403286
  C      -8.333580     -0.452419      0.228432
  C      -7.370021      0.146451      1.066192
  N      -7.668157      1.012371      2.025763
  C      -8.977927      1.330384      2.214077
  H      -4.581976     -1.351617      4.400628
  H      -4.852202      0.061787      3.375219
  H      -2.249751     -1.578268      3.443232
  H      -3.534376     -1.748264      2.242289
  H      -1.552119     -0.327821      1.476511
  H      -1.965846      0.843008      2.758978
  H      -2.571264     -1.593387      0.039764
  H      -3.237856     -2.166191     -2.258519
  H      -5.759041      1.290257     -3.926774
  H      -6.531830      3.505884     -2.983328
  H      -5.891866      4.093110     -0.628232
  H      -1.702613      5.803524      5.183772
  H      -2.803493      5.477882      6.524859
  H      -4.032873      6.802285      4.999101
  H      -4.672896      5.160897      4.838367
  H      -2.960417      4.858480      2.884514
  H      -2.929263      6.651000      2.819296
  H      -4.371189      8.320327      3.080510
  H      -6.174014      9.995199      2.869073
  H      -9.929313      7.854606      1.293785
  H     -10.432767      5.453018      0.677398
  H      -8.626494      3.745092      0.918299
  H      -7.048380      2.242605      7.135080
  H      -6.703535      1.801080      5.458213
  H      -6.548269      4.335019      4.951849
  H      -7.313465      4.608743      6.528036
  H      -9.025991      4.543343      4.725624
  H      -9.247305      3.108572      5.777213
  H     -11.004552      3.262027      4.185811
  H     -12.684112      2.216582      2.700839
  H     -10.453358     -0.553893     -0.218575
  H      -8.015673     -1.153159     -0.544471
  H      -6.310117     -0.088643      0.938986
  N      -4.478145      2.619570      3.442254
  N      -5.447998      2.736633      2.440287
  H      -6.250908      2.057893      2.569632
  H      -5.043881      2.516347      1.472698
  H      -5.865975      3.697033      2.356130
103
Coordinates from ORCA-job orca E -6485.336719533707
  N      -3.495870      0.386643      4.933440
  Mo     -3.761999      2.357595      5.079023
  N      -5.106092      2.687823      6.472692
  C      -4.681137      2.822375      7.865508
  C      -3.644750      1.738985      8.155682
  N      -2.613561      1.780867      7.092292
  C      -1.986013      0.465216      6.842143
  C      -2.922564     -0.397838      6.023356
  C      -1.584335      2.821685      7.342809
  C      -1.178294      3.381256      5.984709
  N      -2.380612      3.832760      5.289732
  H      -2.356153     -1.264670      5.637952
  H      -3.732629     -0.815006      6.655894
  H      -1.071196      0.650095      6.262278
  H      -1.698601     -0.027193      7.788342
  H      -0.455598      4.206595      6.106426
  H      -0.667859      2.601098      5.394959
  H      -2.041018      3.622039      7.941448
  H      -0.741423      2.403640      7.921377
  H      -5.535204      2.711105      8.553975
  H      -4.245969      3.820921      8.052658
  H      -4.135773      0.756883      8.114670
  H      -3.185150      1.857494      9.152701
  C      -4.071540     -0.465184      3.890686
  C      -3.029945     -1.003566      2.895944
  C      -2.354003      0.087719      2.082715
  O      -3.292367      0.801551      1.240232
  C      -3.565589      0.327671      0.013124
  C      -3.109607     -0.860196     -0.539461
  C      -3.497423     -1.197772     -1.855411
  N      -4.279707     -0.469899     -2.636392
  C      -4.740043      0.702765     -2.108468
  C      -5.580716      1.533998     -2.889551
  C      -6.052934      2.715714     -2.358806
  C      -5.694321      3.064215     -1.039327
  N      -4.908499      2.315040     -0.276195
  C      -4.423482      1.152293     -0.790381
  C      -2.620562      5.261143      5.484990
  C      -3.791594      5.797067      4.673053
  C      -3.513102      5.764906      3.176685
  O      -4.739481      5.656716      2.412524
  C      -5.599176      6.691413      2.380477
  C      -5.329411      8.004848      2.727791
  C      -6.353181      8.969743      2.590443
  N      -7.581300      8.731396      2.155695
  C      -7.865369      7.438912      1.819759
  C      -9.160706      7.105686      1.352304
  C      -9.445054      5.797329      1.022384
  C      -8.438427      4.818361      1.171081
  N      -7.214540      5.082538      1.609699
  C      -6.918145      6.373992      1.918929
  C      -6.540442      2.583445      6.214890
  C      -7.193141      3.881031      5.715415
  C      -8.542211      3.621234      5.070985
  O      -8.279313      2.746967      3.949779
  C      -9.304488      2.263770      3.232325
  C     -10.640072      2.595556      3.385270
  C     -11.591014      2.000976      2.525409
  N     -11.318721      1.131565      1.565508
  C     -10.006451      0.787441      1.409319
  C      -9.645529     -0.143674      0.404038
  C      -8.321500     -0.493903      0.247473
  C      -7.355676      0.093480      1.090685
  N      -7.645948      0.975103      2.039617
  C      -8.951739      1.321303      2.210830
  H      -4.583889     -1.324188      4.362246
  H      -4.837857      0.092858      3.340327
  H      -2.243186     -1.559375      3.432249
  H      -3.519480     -1.727444      2.224245
  H      -1.532604     -0.304974      1.466138
  H      -1.954064      0.866228      2.746082
  H      -2.466018     -1.542589      0.012642
  H      -3.133295     -2.137452     -2.279288
  H      -5.830346      1.207465     -3.900748
  H      -6.697730      3.377429     -2.936647
  H      -6.066130      3.985094     -0.583784
  H      -1.702492      5.818252      5.211090
  H      -2.806850      5.494070      6.554536
  H      -4.031900      6.813320      5.015588
  H      -4.675791      5.172205      4.869588
  H      -2.971755      4.847382      2.915963
  H      -2.930888      6.635524      2.834748
  H      -4.350271      8.311851      3.092118
  H      -6.130170     10.007304      2.858911
  H      -9.900429      7.903342      1.265134
  H     -10.429642      5.505718      0.655268
  H      -8.649967      3.775121      0.921076
  H      -7.057320      2.238730      7.128663
  H      -6.701616      1.808474      5.451855
  H      -6.535014      4.340113      4.962071
  H      -7.314335      4.609345      6.531611
  H      -9.006841      4.551810      4.708873
  H      -9.242651      3.118011      5.759238
  H     -10.969530      3.304095      4.143378
  H     -12.645733      2.270149      2.648164
  H     -10.435868     -0.560312     -0.222004
  H      -8.009582     -1.208595     -0.514677
  H      -6.299657     -0.166134      0.976920
  N      -4.477675      2.664845      3.447276
  N      -5.454732      2.791757      2.448254
  H      -6.255059      2.101477      2.553626
  H      -5.045819      2.611820      1.475260
  H      -5.885394      3.748684      2.390964
103
Coordinates from ORCA-job orca E -6485.336720722918
  N      -3.499056      0.394536      4.926146
  Mo     -3.762063      2.365986      5.075170
  N      -5.112234      2.694157      6.463911
  C      -4.693000      2.825022      7.858476
  C      -3.658440      1.740446      8.150568
  N      -2.623456      1.781801      7.091137
  C      -1.997827      0.465250      6.841310
  C      -2.932754     -0.393691      6.016624
  C      -1.591951      2.818945      7.347407
  C      -1.179369      3.380819      5.991828
  N      -2.378568      3.838633      5.295532
  H      -2.367250     -1.261067      5.632066
  H      -3.746392     -0.809712      6.644818
  H      -1.080162      0.649349      6.265936
  H      -1.715687     -0.029410      7.787863
  H      -0.454849      4.204288      6.118770
  H      -0.668826      2.600979      5.400776
  H      -2.048421      3.619706      7.946255
  H      -0.752229      2.396748      7.927910
  H      -5.549807      2.711251      8.542241
  H      -4.259327      3.822668      8.050388
  H      -4.150264      0.759213      8.106099
  H      -3.202207      1.856583      9.149297
  C      -4.067885     -0.452303      3.877279
  C      -3.021706     -0.983167      2.884527
  C      -2.356270      0.115043      2.071356
  O      -3.301516      0.817069      1.225822
  C      -3.589011      0.320729      0.011219
  C      -3.122537     -0.868312     -0.530965
  C      -3.526834     -1.232579     -1.834293
  N      -4.334102     -0.529253     -2.612529
  C      -4.803584      0.643441     -2.095467
  C      -5.670361      1.447496     -2.875369
  C      -6.153024      2.629200     -2.355765
  C      -5.778380      3.004483     -1.048616
  N      -4.968020      2.281281     -0.286317
  C      -4.472441      1.118854     -0.790250
  C      -2.614746      5.266707      5.501482
  C      -3.778493      5.815584      4.688341
  C      -3.490773      5.799759      3.193978
  O      -4.713493      5.701745      2.423752
  C      -5.574272      6.735228      2.406642
  C      -5.307676      8.042965      2.777334
  C      -6.332562      9.007984      2.653930
  N      -7.559097      8.774682      2.212303
  C      -7.840613      7.487305      1.854941
  C      -9.134393      7.159228      1.379541
  C      -9.416536      5.855699      1.028474
  C      -8.409374      4.876226      1.164295
  N      -7.186956      5.135473      1.610167
  C      -6.892215      6.422635      1.939237
  C      -6.545235      2.584287      6.201738
  C      -7.203388      3.878130      5.700051
  C      -8.546590      3.608883      5.049477
  O      -8.269188      2.733125      3.932609
  C      -9.286694      2.237560      3.212325
  C     -10.626322      2.559490      3.356732
  C     -11.567379      1.957149      2.491003
  N     -11.282165      1.089121      1.533146
  C      -9.966449      0.754415      1.385947
  C      -9.592676     -0.173594      0.382471
  C      -8.265309     -0.514002      0.234053
  C      -7.308875      0.079665      1.083879
  N      -7.611011      0.958979      2.031586
  C      -8.920500      1.296029      2.194448
  H      -4.581503     -1.314369      4.341416
  H      -4.831712      0.108057      3.326180
  H      -2.230396     -1.532843      3.420308
  H      -3.505803     -1.711431      2.213958
  H      -1.529284     -0.268837      1.456545
  H      -1.966107      0.899356      2.733881
  H      -2.457026     -1.530927      0.019976
  H      -3.152013     -2.173345     -2.251182
  H      -5.932281      1.101022     -3.876016
  H      -6.819858      3.271093     -2.932358
  H      -6.163012      3.926611     -0.600010
  H      -1.692377      5.822946      5.238145
  H      -2.806718      5.491128      6.572430
  H      -4.016979      6.828929      5.040898
  H      -4.666117      5.191832      4.871729
  H      -2.948592      4.885676      2.926207
  H      -2.906769      6.673619      2.865571
  H      -4.330168      8.345587      3.149589
  H      -6.112052     10.041154      2.940634
  H      -9.874807      7.956829      1.303235
  H     -10.399805      5.568493      0.654621
  H      -8.618643      3.836828      0.897226
  H      -7.063461      2.237992      7.114105
  H      -6.700515      1.807739      5.438896
  H      -6.545180      4.342290      4.950436
  H      -7.334215      4.604975      6.515934
  H      -9.015421      4.535846      4.681741
  H      -9.247410      3.102695      5.735050
  H     -10.965875      3.267768      4.110791
  H     -12.623045      2.219728      2.604944
  H     -10.376425     -0.595774     -0.248632
  H      -7.943549     -1.226218     -0.526298
  H      -6.250746     -0.173422      0.976715
  N      -4.470028      2.673005      3.439573
  N      -5.444388      2.806276      2.436898
  H      -6.268562      2.145899      2.556858
  H      -5.041722      2.588410      1.468791
  H      -5.844498      3.774911      2.353258
103
Coordinates from ORCA-job orca E -6485.336863162086
  N      -3.493130      0.400159      4.915080
  Mo     -3.759483      2.370453      5.078767
  N      -5.112385      2.687550      6.468032
  C      -4.695605      2.806861      7.864386
  C      -3.660899      1.720881      8.149390
  N      -2.624306      1.772590      7.092177
  C      -1.995917      0.459200      6.833919
  C      -2.928800     -0.394803      6.001795
  C      -1.596229      2.810710      7.358892
  C      -1.181395      3.384640      6.009128
  N      -2.379438      3.843624      5.311330
  H      -2.362313     -1.259613      5.612905
  H      -3.743416     -0.814950      6.626012
  H      -1.077685      0.648807      6.261261
  H      -1.714593     -0.041661      7.777460
  H      -0.460090      4.209384      6.144899
  H      -0.666033      2.611088      5.414215
  H      -2.056495      3.605501      7.962659
  H      -0.756861      2.386408      7.938378
  H      -5.553543      2.686940      8.545794
  H      -4.262779      3.803207      8.065175
  H      -4.151494      0.739471      8.095875
  H      -3.206383      1.829368      9.149768
  C      -4.049338     -0.440509      3.854751
  C      -2.992645     -0.962255      2.867984
  C      -2.320706      0.142378      2.068815
  O      -3.255785      0.849518      1.216346
  C      -3.556285      0.338597      0.010784
  C      -3.087097     -0.851318     -0.527268
  C      -3.506979     -1.231503     -1.821050
  N      -4.331798     -0.542919     -2.593970
  C      -4.803491      0.631212     -2.081400
  C      -5.688051      1.420593     -2.856456
  C      -6.172225      2.603966     -2.341879
  C      -5.781456      2.995658     -1.044154
  N      -4.954482      2.286328     -0.286574
  C      -4.457206      1.122359     -0.785958
  C      -2.618477      5.271291      5.514539
  C      -3.780578      5.813290      4.694259
  C      -3.489148      5.781899      3.200836
  O      -4.709852      5.670317      2.428717
  C      -5.573986      6.700708      2.397984
  C      -5.312782      8.012571      2.758107
  C      -6.339261      8.974049      2.620485
  N      -7.562798      8.733950      2.174285
  C      -7.839488      7.442666      1.827633
  C      -9.129988      7.107886      1.348056
  C      -9.408148      5.800634      1.008116
  C      -8.400095      4.824206      1.159070
  N      -7.180347      5.090016      1.608471
  C      -6.889243      6.380652      1.927126
  C      -6.545671      2.582554      6.203993
  C      -7.201930      3.882238      5.715190
  C      -8.549114      3.623437      5.068196
  O      -8.280811      2.756586      3.942546
  C      -9.303714      2.267972      3.225008
  C     -10.641826      2.590720      3.379051
  C     -11.588266      1.996936      2.513264
  N     -11.309300      1.137134      1.546210
  C      -9.994819      0.802357      1.388986
  C      -9.626910     -0.116512      0.375020
  C      -8.300715     -0.457287      0.217306
  C      -7.339635      0.126746      1.068529
  N      -7.636335      0.997820      2.025365
  C      -8.944357      1.335165      2.197146
  H      -4.565202     -1.306968      4.307911
  H      -4.809441      0.121631      3.300325
  H      -2.205289     -1.514181      3.407320
  H      -3.469320     -1.687128      2.188636
  H      -1.485321     -0.234996      1.461393
  H      -1.940475      0.923337      2.740626
  H      -2.407779     -1.502760      0.019722
  H      -3.130998     -2.172684     -2.233812
  H      -5.960885      1.062064     -3.850171
  H      -6.851104      3.235174     -2.915601
  H      -6.164452      3.919980     -0.601198
  H      -1.696641      5.829057      5.253095
  H      -2.815463      5.497698      6.583994
  H      -4.020414      6.829865      5.036549
  H      -4.668279      5.190778      4.881070
  H      -2.942479      4.866813      2.945304
  H      -2.907260      6.654153      2.864157
  H      -4.338188      8.320907      3.133309
  H      -6.122792     10.010309      2.899106
  H      -9.871311      7.903554      1.259733
  H     -10.388863      5.508564      0.631320
  H      -8.606327      3.781671      0.901969
  H      -7.064326      2.230124      7.113685
  H      -6.703103      1.812604      5.435145
  H      -6.544949      4.351666      4.967675
  H      -7.327975      4.601929      6.538221
  H      -9.015632      4.555147      4.710441
  H      -9.248955      3.114334      5.752641
  H     -10.976372      3.293320      4.140548
  H     -12.643413      2.259591      2.635565
  H     -10.414054     -0.531846     -0.256227
  H      -7.983329     -1.162640     -0.551201
  H      -6.282445     -0.127291      0.954478
  N      -4.463388      2.685298      3.442952
  N      -5.438885      2.810599      2.439929
  H      -6.253967      2.138072      2.554831
  H      -5.034233      2.604189      1.470695
  H      -5.852127      3.774614      2.362190
103
Coordinates from ORCA-job orca E -6485.336873282329
  N      -3.486906      0.402404      4.909190
  Mo     -3.760723      2.371422      5.081647
  N      -5.112989      2.677605      6.473671
  C      -4.694919      2.793388      7.870258
  C      -3.655557      1.710338      8.149706
  N      -2.620439      1.769608      7.090665
  C      -1.987933      0.459186      6.826924
  C      -2.920285     -0.394443      5.993601
  C      -1.596037      2.810804      7.359614
  C      -1.185843      3.391660      6.012129
  N      -2.386584      3.848621      5.317555
  H      -2.352704     -1.257652      5.602121
  H      -3.733782     -0.817538      6.617736
  H      -1.071015      0.653386      6.253261
  H      -1.703709     -0.043880      7.768420
  H      -0.467897      4.218447      6.150763
  H      -0.668041      2.623196      5.413524
  H      -2.058472      3.601108      7.967069
  H      -0.753887      2.388092      7.935901
  H      -5.551730      2.668156      8.552780
  H      -4.264946      3.790862      8.073805
  H      -4.142726      0.727118      8.093619
  H      -3.199831      1.817159      9.149758
  C      -4.038780     -0.437959      3.845786
  C      -2.977991     -0.959803      2.862596
  C      -2.303449      0.143994      2.065283
  O      -3.234644      0.850071      1.207834
  C      -3.547169      0.329153      0.009188
  C      -3.078855     -0.860735     -0.528999
  C      -3.513777     -1.250222     -1.815472
  N      -4.352379     -0.570699     -2.581394
  C      -4.822481      0.604429     -2.068948
  C      -5.721446      1.385917     -2.835941
  C      -6.203248      2.570503     -2.321101
  C      -5.795385      2.970971     -1.031205
  N      -4.955627      2.268707     -0.281000
  C      -4.460953      1.104280     -0.780816
  C      -2.630536      5.274596      5.526983
  C      -3.791031      5.819218      4.705772
  C      -3.493268      5.798342      3.212961
  O      -4.709973      5.687234      2.434342
  C      -5.574459      6.717167      2.399312
  C      -5.314809      8.030890      2.753697
  C      -6.342468      8.990779      2.611997
  N      -7.566083      8.747316      2.167593
  C      -7.841187      7.454222      1.826977
  C      -9.132009      7.115338      1.351516
  C      -9.409165      5.805879      1.019901
  C      -8.399403      4.831453      1.174623
  N      -7.178813      5.101552      1.618884
  C      -6.889107      6.394055      1.929778
  C      -6.545981      2.574298      6.207669
  C      -7.197393      3.875719      5.716165
  C      -8.541597      3.621747      5.060052
  O      -8.271983      2.756714      3.933258
  C      -9.293697      2.278067      3.207992
  C     -10.629791      2.611884      3.354873
  C     -11.576616      2.027097      2.483685
  N     -11.299893      1.165859      1.517654
  C      -9.987353      0.819661      1.367369
  C      -9.622070     -0.101706      0.354812
  C      -8.297971     -0.454657      0.204251
  C      -7.336826      0.119283      1.061936
  N      -7.630878      0.992807      2.017308
  C      -8.936597      1.342651      2.181601
  H      -4.556180     -1.304891      4.297053
  H      -4.797352      0.123596      3.288625
  H      -2.191687     -1.509731      3.405155
  H      -3.451679     -1.686353      2.183058
  H      -1.463588     -0.232345      1.462509
  H      -1.928037      0.926163      2.738931
  H      -2.388873     -1.505233      0.011877
  H      -3.138788     -2.191504     -2.227976
  H      -6.006312      1.020933     -3.824220
  H      -6.891808      3.196326     -2.889031
  H      -6.173200      3.897017     -0.590012
  H      -1.709745      5.836444      5.272149
  H      -2.831614      5.493862      6.596704
  H      -4.034336      6.833049      5.053617
  H      -4.678384      5.193730      4.885346
  H      -2.942062      4.886339      2.954570
  H      -2.912954      6.674932      2.883677
  H      -4.340323      8.341988      3.127039
  H      -6.126950     10.028625      2.885735
  H      -9.874855      7.909560      1.260488
  H     -10.390430      5.510633      0.647211
  H      -8.605287      3.786836      0.925901
  H      -7.067279      2.223030      7.116553
  H      -6.703022      1.804431      5.438246
  H      -6.534821      4.345249      4.973633
  H      -7.326470      4.594193      6.539857
  H      -9.002548      4.555937      4.701567
  H      -9.247266      3.114403      5.739720
  H     -10.962583      3.316112      4.115532
  H     -12.631089      2.298285      2.601287
  H     -10.409244     -0.509176     -0.281241
  H      -7.982351     -1.161962     -0.563280
  H      -6.281485     -0.144816      0.953808
  N      -4.470644      2.689360      3.449095
  N      -5.450271      2.803860      2.449680
  H      -6.253498      2.117828      2.564680
  H      -5.048073      2.610464      1.477308
  H      -5.880662      3.762174      2.379747
103
Coordinates from ORCA-job orca E -6485.336912620043
  N      -3.486311      0.404835      4.910541
  Mo     -3.758269      2.374002      5.084434
  N      -5.114098      2.679506      6.473342
  C      -4.699127      2.793662      7.871047
  C      -3.661014      1.709711      8.151877
  N      -2.623371      1.769229      7.095211
  C      -1.990915      0.458452      6.831296
  C      -2.922448     -0.393675      5.995233
  C      -1.599065      2.809993      7.367519
  C      -1.184973      3.391875      6.021577
  N      -2.383776      3.849541      5.323827
  H      -2.355204     -1.257218      5.604297
  H      -3.737556     -0.816334      6.617450
  H      -1.072712      0.652795      6.259569
  H      -1.708778     -0.045754      7.772800
  H      -0.466978      4.218483      6.162700
  H      -0.665657      2.623522      5.423773
  H      -2.062734      3.600086      7.974442
  H      -0.758405      2.386557      7.945440
  H      -5.557611      2.667819      8.551361
  H      -4.269409      3.790785      8.076663
  H      -4.148699      0.726813      8.093916
  H      -3.207516      1.815479      9.153032
  C      -4.041629     -0.432036      3.846136
  C      -2.984403     -0.952728      2.858705
  C      -2.314720      0.152490      2.059358
  O      -3.248485      0.858065      1.203913
  C      -3.566524      0.337637      0.006438
  C      -3.103631     -0.853673     -0.533097
  C      -3.544562     -1.242377     -1.817788
  N      -4.383264     -0.560092     -2.581416
  C      -4.845957      0.617549     -2.068723
  C      -5.742771      1.403181     -2.834128
  C      -6.215257      2.591773     -2.319957
  C      -5.800352      2.991772     -1.032250
  N      -4.963905      2.285009     -0.282771
  C      -4.478309      1.116529     -0.781878
  C      -2.627907      5.275914      5.530631
  C      -3.786401      5.819780      4.705649
  C      -3.489001      5.792304      3.212671
  O      -4.706231      5.680173      2.435203
  C      -5.569000      6.711133      2.397693
  C      -5.307343      8.025212      2.749159
  C      -6.333016      8.986490      2.604743
  N      -7.556475      8.744230      2.159882
  C      -7.833605      7.451034      1.821874
  C      -9.124614      7.113692      1.345728
  C      -9.404265      5.804179      1.016193
  C      -8.396609      4.828336      1.173875
  N      -7.175984      5.096832      1.619275
  C      -6.883813      6.389322      1.928055
  C      -6.546538      2.575696      6.204949
  C      -7.198742      3.877041      5.714152
  C      -8.541559      3.621473      5.056111
  O      -8.268323      2.753730      3.932453
  C      -9.286697      2.270590      3.205714
  C     -10.624122      2.603506      3.345446
  C     -11.566285      2.014283      2.472063
  N     -11.284125      1.149125      1.510952
  C      -9.970622      0.802783      1.368983
  C      -9.599759     -0.123236      0.362818
  C      -8.274387     -0.476537      0.221059
  C      -7.318051      0.101458      1.081508
  N      -7.617363      0.979951      2.030711
  C      -8.924084      1.330203      2.185993
  H      -4.560165     -1.299203      4.296045
  H      -4.800121      0.132652      3.291989
  H      -2.194635     -1.501312      3.397702
  H      -3.460029     -1.680326      2.181669
  H      -1.475585     -0.222459      1.454807
  H      -1.938732      0.935115      2.732077
  H      -2.413441     -1.500163      0.005504
  H      -3.173800     -2.185604     -2.231394
  H      -6.033237      1.038749     -3.820808
  H      -6.901604      3.221408     -2.886687
  H      -6.170412      3.921881     -0.591751
  H      -1.706148      5.837013      5.277811
  H      -2.832369      5.496644      6.599340
  H      -4.027635      6.835450      5.049616
  H      -4.675300      5.196965      4.886964
  H      -2.939497      4.878403      2.957579
  H      -2.907626      6.666632      2.879499
  H      -4.332654      8.335498      3.122371
  H      -6.115842     10.024456      2.876295
  H      -9.865768      7.909121      1.252275
  H     -10.385864      5.510055      0.643051
  H      -8.604363      3.783780      0.926679
  H      -7.068760      2.222836      7.112654
  H      -6.701710      1.806608      5.434363
  H      -6.535772      4.348093      4.973016
  H      -7.329976      4.594526      6.538404
  H      -9.002183      4.554824      4.694464
  H      -9.248296      3.115203      5.735410
  H     -10.961152      3.310752      4.101495
  H     -12.621117      2.285467      2.582844
  H     -10.383499     -0.533992     -0.275497
  H      -7.954322     -1.187441     -0.541323
  H      -6.262286     -0.163655      0.981120
  N      -4.463092      2.692604      3.449710
  N      -5.438279      2.806012      2.446311
  H      -6.245494      2.124119      2.560030
  H      -5.032141      2.605552      1.477413
  H      -5.863628      3.766242      2.368605
103
Coordinates from ORCA-job orca E -6485.336893820984
  N      -3.491439      0.411888      4.904767
  Mo     -3.759237      2.381999      5.080785
  N      -5.115775      2.687281      6.469363
  C      -4.701021      2.799538      7.867219
  C      -3.665046      1.713718      8.147623
  N      -2.627217      1.771817      7.091318
  C      -1.997852      0.459888      6.826634
  C      -2.931570     -0.388825      5.989684
  C      -1.600743      2.810156      7.365292
  C      -1.184340      3.393008      6.020482
  N      -2.381730      3.853475      5.321971
  H      -2.367009     -1.254274      5.599114
  H      -3.748662     -0.808808      6.611078
  H      -1.079051      0.652413      6.255329
  H      -1.717332     -0.045704      7.767837
  H      -0.465125      4.218240      6.163360
  H      -0.665612      2.624595      5.422171
  H      -2.063136      3.600531      7.972898
  H      -0.761214      2.384293      7.943140
  H      -5.559920      2.673905      8.546789
  H      -4.270272      3.795773      8.074024
  H      -4.154535      0.731878      8.088942
  H      -3.211531      1.818025      9.148874
  C      -4.048811     -0.423364      3.840699
  C      -2.991092     -0.954989      2.859777
  C      -2.308306      0.142416      2.060800
  O      -3.231716      0.855144      1.200438
  C      -3.556121      0.331352      0.006362
  C      -3.102029     -0.865270     -0.528697
  C      -3.549755     -1.257659     -1.809884
  N      -4.387094     -0.574097     -2.573992
  C      -4.840170      0.608985     -2.065982
  C      -5.734418      1.396531     -2.832158
  C      -6.196871      2.590846     -2.322403
  C      -5.774814      2.994150     -1.038147
  N      -4.941448      2.285256     -0.287525
  C      -4.464941      1.111893     -0.782971
  C      -2.622913      5.280695      5.526270
  C      -3.780260      5.825056      4.700027
  C      -3.487180      5.787918      3.206380
  O      -4.707533      5.677474      2.434030
  C      -5.566714      6.711179      2.399935
  C      -5.299312      8.023586      2.753680
  C      -6.320930      8.989399      2.612339
  N      -7.545612      8.753219      2.167563
  C      -7.828505      7.461916      1.827065
  C      -9.120611      7.131750      1.349065
  C      -9.405940      5.824625      1.015090
  C      -8.403013      4.843874      1.171002
  N      -7.181747      5.105282      1.618977
  C      -6.883579      6.395650      1.931383
  C      -6.548197      2.577107      6.203128
  C      -7.209758      3.875524      5.716599
  C      -8.553371      3.612319      5.063539
  O      -8.278346      2.748533      3.937362
  C      -9.295976      2.253172      3.218038
  C     -10.637040      2.565779      3.371017
  C     -11.577883      1.967826      2.502089
  N     -11.291075      1.113154      1.532878
  C      -9.973816      0.787155      1.377611
  C      -9.597781     -0.125440      0.361187
  C      -8.268485     -0.457204      0.205235
  C      -7.313562      0.128813      1.061787
  N      -7.617484      0.995807      2.020229
  C      -8.928210      1.324326      2.189674
  H      -4.575852     -1.285482      4.290447
  H      -4.800702      0.145491      3.282048
  H      -2.207789     -1.507586      3.403926
  H      -3.469373     -1.681397      2.183406
  H      -1.470017     -0.241501      1.460268
  H      -1.927757      0.923123      2.733584
  H      -2.413161     -1.512830      0.010602
  H      -3.185489     -2.205310     -2.220415
  H      -6.031464      1.029243     -3.815592
  H      -6.881581      3.222359     -2.889492
  H      -6.137852      3.929286     -0.600536
  H      -1.699683      5.839409      5.272910
  H      -2.828041      5.503786      6.594526
  H      -4.016209      6.843649      5.039241
  H      -4.671662      5.207325      4.886224
  H      -2.942897      4.870374      2.954166
  H      -2.903340      6.657873      2.866765
  H      -4.322990      8.329124      3.126790
  H      -6.099083     10.025881      2.885911
  H      -9.857853      7.930808      1.256793
  H     -10.388228      5.536232      0.639670
  H      -8.615014      3.801325      0.919283
  H      -7.066429      2.219977      7.111470
  H      -6.700986      1.808092      5.431795
  H      -6.552483      4.352139      4.974207
  H      -7.342815      4.590378      6.542757
  H      -9.021868      4.543282      4.705297
  H      -9.253773      3.100003      5.744798
  H     -10.977918      3.263586      4.134133
  H     -12.635164      2.223066      2.622886
  H     -10.380737     -0.542946     -0.273822
  H      -7.944163     -1.156860     -0.565673
  H      -6.254969     -0.119584      0.949964
  N      -4.462522      2.704043      3.445750
  N      -5.437675      2.818386      2.442308
  H      -6.251809      2.144778      2.560864
  H      -5.034536      2.608140      1.474143
  H      -5.854176      3.782309      2.357500
103
Coordinates from ORCA-job orca E -6485.336926544966
  N      -3.487010      0.412018      4.901304
  Mo     -3.756977      2.381580      5.081588
  N      -5.115260      2.683258      6.469219
  C      -4.702108      2.792283      7.867945
  C      -3.665879      1.706217      8.146973
  N      -2.626800      1.767985      7.091927
  C      -1.995306      0.457548      6.824720
  C      -2.926953     -0.390474      5.984850
  C      -1.602012      2.806979      7.369451
  C      -1.184732      3.393498      6.026665
  N      -2.381842      3.853868      5.327663
  H      -2.360910     -1.254369      5.592895
  H      -3.744075     -0.812975      6.604590
  H      -1.076256      0.652819      6.254676
  H      -1.714849     -0.049931      7.764943
  H      -0.467078      4.219495      6.172774
  H      -0.663886      2.627532      5.427068
  H      -2.066135      3.595286      7.978365
  H      -0.762542      2.380963      7.947224
  H      -5.561741      2.665320      8.546551
  H      -4.271471      3.788196      8.077175
  H      -4.154659      0.724138      8.085361
  H      -3.213568      1.808498      9.149009
  C      -4.042547     -0.421400      3.834617
  C      -2.983207     -0.944485      2.850890
  C      -2.308784      0.159519      2.053864
  O      -3.236714      0.865576      1.192961
  C      -3.559136      0.335974      0.001034
  C      -3.091230     -0.855598     -0.533043
  C      -3.538560     -1.257102     -1.811526
  N      -4.388722     -0.587375     -2.573577
  C      -4.856714      0.590493     -2.066237
  C      -5.767761      1.361702     -2.829368
  C      -6.247768      2.549047     -2.319493
  C      -5.825860      2.962105     -1.038200
  N      -4.976152      2.269086     -0.290677
  C      -4.482510      1.102429     -0.786300
  C      -2.625595      5.279930      5.536970
  C      -3.780830      5.826740      4.709759
  C      -3.481391      5.800248      3.217354
  O      -4.698295      5.688238      2.439584
  C      -5.564405      6.716390      2.409616
  C      -5.307613      8.028295      2.772691
  C      -6.336133      8.987467      2.635496
  N      -7.558260      8.745153      2.187005
  C      -7.830840      7.454065      1.837635
  C      -9.119966      7.117081      1.356251
  C      -9.395014      5.809872      1.013949
  C      -8.384629      4.835831      1.164609
  N      -7.165792      5.103844      1.615269
  C      -6.877920      6.394370      1.936271
  C      -6.547606      2.579067      6.199906
  C      -7.201786      3.881324      5.713462
  C      -8.544778      3.625904      5.055652
  O      -8.270727      2.759203      3.931775
  C      -9.287193      2.274269      3.203855
  C     -10.625438      2.605556      3.340002
  C     -11.564189      2.016081      2.463086
  N     -11.277956      1.152485      1.501695
  C      -9.963626      0.807410      1.363781
  C      -9.588185     -0.117038      0.357914
  C      -8.261968     -0.469582      0.221311
  C      -7.309604      0.107570      1.086628
  N      -7.612884      0.985675      2.034915
  C      -8.920463      1.334856      2.185042
  H      -4.566184     -1.287076      4.281699
  H      -4.796917      0.146559      3.278264
  H      -2.195368     -1.492845      3.392985
  H      -3.457392     -1.672792      2.173573
  H      -1.466669     -0.216726      1.454032
  H      -1.935611      0.942321      2.727983
  H      -2.391321     -1.492363      0.004893
  H      -3.163139     -2.200298     -2.221207
  H      -6.064288      0.986939     -3.810312
  H      -6.946457      3.167154     -2.883892
  H      -6.203621      3.890379     -0.600230
  H      -1.702575      5.841212      5.289452
  H      -2.834690      5.497521      6.605416
  H      -4.020465      6.842638      5.054399
  H      -4.671515      5.205764      4.888514
  H      -2.931398      4.886794      2.962157
  H      -2.900414      6.675215      2.885372
  H      -4.334497      8.338508      3.150112
  H      -6.122596     10.023686      2.916388
  H      -9.863353      7.911038      1.268450
  H     -10.374913      5.516251      0.636050
  H      -8.588345      3.793264      0.906105
  H      -7.069284      2.222846      7.106542
  H      -6.702022      1.812057      5.427031
  H      -6.539550      4.355589      4.973699
  H      -7.333660      4.595930      6.540082
  H      -9.005752      4.559444      4.694862
  H      -9.251187      3.118597      5.734485
  H     -10.965484      3.311848      4.095600
  H     -12.619559      2.286113      2.570567
  H     -10.369041     -0.527298     -0.284272
  H      -7.938113     -1.179030     -0.540817
  H      -6.253594     -0.157908      0.991045
  N      -4.458288      2.704380      3.445737
  N      -5.433435      2.813493      2.441904
  H      -6.245106      2.137531      2.562022
  H      -5.030223      2.601972      1.473702
  H      -5.853021      3.775755      2.355326
103
Coordinates from ORCA-job orca E -6485.336930580400
  N      -3.485620      0.413160      4.901788
  Mo     -3.756901      2.382483      5.084049
  N      -5.115820      2.681202      6.471576
  C      -4.703187      2.789108      7.870575
  C      -3.665903      1.703705      8.148590
  N      -2.626604      1.767634      7.093838
  C      -1.993882      0.458102      6.825174
  C      -2.924945     -0.389868      5.984578
  C      -1.602885      2.807352      7.372719
  C      -1.185722      3.395579      6.030590
  N      -2.383019      3.855347      5.331406
  H      -2.358380     -1.253102      5.591917
  H      -3.741722     -0.813448      6.604028
  H      -1.075109      0.654819      6.255232
  H      -1.712841     -0.050128      7.764816
  H      -0.468979      4.222189      6.177660
  H      -0.663879      2.630698      5.430513
  H      -2.067902      3.594610      7.982304
  H      -0.763161      2.381529      7.950302
  H      -5.562838      2.660720      8.548825
  H      -4.273464      3.785143      8.080909
  H      -4.153729      0.721251      8.085755
  H      -3.213914      1.805277      9.150843
  C      -4.044258     -0.419754      3.836273
  C      -2.988165     -0.944787      2.850013
  C      -2.314531      0.157670      2.050367
  O      -3.244063      0.865283      1.192496
  C      -3.573333      0.337061      0.001688
  C      -3.116144     -0.858233     -0.533614
  C      -3.569586     -1.255838     -1.811198
  N      -4.415685     -0.578810     -2.571419
  C      -4.872750      0.602823     -2.062872
  C      -5.777401      1.383016     -2.824487
  C      -6.244411      2.575358     -2.313958
  C      -5.816228      2.984238     -1.033384
  N      -4.972440      2.282703     -0.287387
  C      -4.491928      1.110939     -0.783498
  C      -2.627895      5.281346      5.540610
  C      -3.782948      5.827933      4.712706
  C      -3.483617      5.801067      3.219948
  O      -4.700186      5.689484      2.441378
  C      -5.562703      6.720444      2.404194
  C      -5.300894      8.034585      2.755685
  C      -6.326290      8.996113      2.611526
  N      -7.549915      8.754114      2.166813
  C      -7.827294      7.461008      1.828664
  C      -9.118347      7.124151      1.352410
  C      -9.398403      5.814847      1.022365
  C      -8.390994      4.838758      1.179784
  N      -7.170346      5.106699      1.625474
  C      -6.877684      6.399049      1.934619
  C      -6.547763      2.575873      6.200820
  C      -7.201786      3.877156      5.712020
  C      -8.542504      3.620045      5.050037
  O      -8.264424      2.751462      3.928448
  C      -9.278235      2.265722      3.197361
  C     -10.616582      2.598893      3.327110
  C     -11.552477      2.007329      2.448549
  N     -11.263497      1.139799      1.491486
  C      -9.949146      0.792354      1.360205
  C      -9.570951     -0.136972      0.359792
  C      -8.244900     -0.492723      0.230645
  C      -7.295263      0.086394      1.097613
  N      -7.601110      0.969310      2.040608
  C      -8.908644      1.321691      2.183592
  H      -4.567957     -1.284609      4.284632
  H      -4.799307      0.149019      3.281708
  H      -2.199406     -1.493603      3.390290
  H      -3.464969     -1.672992      2.174487
  H      -1.475029     -0.220399      1.448151
  H      -1.937891      0.939942      2.723035
  H      -2.420685     -1.501013      0.002784
  H      -3.203101     -2.202073     -2.221680
  H      -6.078658      1.011651     -3.805300
  H      -6.936878      3.200985     -2.877674
  H      -6.181617      3.917697     -0.595819
  H      -1.704949      5.843044      5.293697
  H      -2.837721      5.498818      6.608989
  H      -4.022272      6.843861      5.057217
  H      -4.673887      5.207303      4.891618
  H      -2.934338      4.887132      2.964997
  H      -2.901953      6.675449      2.887546
  H      -4.326062      8.344760      3.128678
  H      -6.108781     10.034008      2.883126
  H      -9.859297      7.919761      1.259111
  H     -10.379990      5.521112      0.649059
  H      -8.599057      3.794428      0.931848
  H      -7.070542      2.219599      7.106810
  H      -6.700371      1.808573      5.427981
  H      -6.537742      4.351363      4.973923
  H      -7.336585      4.592173      6.537806
  H      -9.002601      4.552840      4.686280
  H      -9.251089      3.113643      5.727317
  H     -10.958775      3.308063      4.079068
  H     -12.607993      2.278875      2.550897
  H     -10.349739     -0.548669     -0.283969
  H      -7.919073     -1.206162     -0.526896
  H      -6.239158     -0.181473      1.008049
  N      -4.458559      2.707401      3.448669
  N      -5.434685      2.812560      2.445553
  H      -6.240472      2.129475      2.563209
  H      -5.030162      2.609144      1.476826
  H      -5.862371      3.771825      2.363599
103
Coordinates from ORCA-job orca E -6485.336936258653
  N      -3.485089      0.414229      4.900792
  Mo     -3.755985      2.383845      5.083217
  N      -5.115190      2.682698      6.470465
  C      -4.702688      2.790319      7.869553
  C      -3.665869      1.704576      8.147705
  N      -2.626430      1.768309      7.093074
  C      -1.993975      0.458628      6.824514
  C      -2.925143     -0.389011      5.983762
  C      -1.602512      2.807830      7.372179
  C      -1.184813      3.396091      6.030285
  N      -2.381872      3.855850      5.330608
  H      -2.358767     -1.252517      5.591386
  H      -3.742298     -0.812290      6.602962
  H      -1.075044      0.655128      6.254693
  H      -1.713190     -0.049688      7.764182
  H      -0.468178      4.222723      6.177769
  H      -0.662665      2.631344      5.430300
  H      -2.067513      3.595145      7.981691
  H      -0.762959      2.381881      7.949905
  H      -5.562508      2.662298      8.547680
  H      -4.272578      3.786188      8.079913
  H      -4.153990      0.722266      8.084754
  H      -3.213982      1.805998      9.150016
  C      -4.044346     -0.418565      3.835560
  C      -2.988003     -0.945740      2.850714
  C      -2.312902      0.155489      2.050574
  O      -3.241249      0.862476      1.190972
  C      -3.568292      0.333684     -0.000181
  C      -3.107167     -0.860117     -0.535301
  C      -3.558652     -1.258943     -1.813229
  N      -4.406433     -0.584473     -2.573822
  C      -4.867517      0.595608     -2.065349
  C      -5.774758      1.372690     -2.827027
  C      -6.246514      2.562997     -2.316170
  C      -5.820395      2.972904     -1.035236
  N      -4.974213      2.274328     -0.289092
  C      -4.488896      1.104781     -0.785718
  C      -2.626907      5.281894      5.539641
  C      -3.781796      5.828602      4.711642
  C      -3.482948      5.801650      3.218889
  O      -4.699959      5.689396      2.441161
  C      -5.564478      6.718725      2.407835
  C      -5.305179      8.031895      2.764675
  C      -6.332319      8.992079      2.624483
  N      -7.555433      8.749661      2.178687
  C      -7.830402      7.457482      1.835216
  C      -9.120750      7.120355      1.357238
  C      -9.398351      5.812038      1.021299
  C      -8.389184      4.837172      1.174660
  N      -7.169231      5.105285      1.622176
  C      -6.878930      6.396790      1.937063
  C      -6.547220      2.577664      6.199943
  C      -7.201442      3.879507      5.712549
  C      -8.542806      3.623263      5.051541
  O      -8.266043      2.755130      3.929417
  C      -9.280431      2.270148      3.198776
  C     -10.618611      2.603861      3.329381
  C     -11.555003      2.014157      2.450101
  N     -11.266653      1.148008      1.491602
  C      -9.952504      0.799957      1.359570
  C      -9.574933     -0.127687      0.357403
  C      -8.249007     -0.483767      0.227345
  C      -7.298974      0.093237      1.095276
  N      -7.604125      0.974734      2.039851
  C      -8.911542      1.327348      2.183664
  H      -4.569840     -1.282310      4.284108
  H      -4.798082      0.150865      3.279866
  H      -2.199952     -1.494290      3.392285
  H      -3.464713     -1.674557      2.175790
  H      -1.472926     -0.223725      1.449626
  H      -1.936522      0.938267      2.722924
  H      -2.409778     -1.500614      0.001342
  H      -3.188755     -2.203955     -2.223824
  H      -6.074519      1.000566     -3.807984
  H      -6.941414      3.186129     -2.879742
  H      -6.190165      3.904415     -0.597134
  H      -1.703905      5.843661      5.293217
  H      -2.837349      5.499121      6.607913
  H      -4.020744      6.844682      5.056143
  H      -4.672930      5.208304      4.890690
  H      -2.933324      4.888005      2.963660
  H      -2.902054      6.676412      2.886205
  H      -4.330995      8.342321      3.139162
  H      -6.116749     10.029219      2.900420
  H      -9.863106      7.915017      1.267169
  H     -10.379308      5.518116      0.646417
  H      -8.595215      3.793696      0.921651
  H      -7.069577      2.220779      7.105935
  H      -6.700207      1.810872      5.426613
  H      -6.537824      4.354200      4.974354
  H      -7.335486      4.593854      6.539037
  H      -9.002736      4.556494      4.688564
  H      -9.251089      3.116893      5.729141
  H     -10.960186      3.312230      4.082388
  H     -12.610301      2.286200      2.552947
  H     -10.353986     -0.537697     -0.287134
  H      -7.923546     -1.195768     -0.531712
  H      -6.243109     -0.175046      1.005132
  N      -4.457429      2.709196      3.447634
  N      -5.433698      2.813328      2.444545
  H      -6.241765      2.133233      2.565229
  H      -5.030686      2.605022      1.476222
  H      -5.858146      3.773792      2.359103
103
Coordinates from ORCA-job orca E -6485.336937456242
  N      -3.482918      0.417089      4.897699
  Mo     -3.754488      2.386763      5.082874
  N      -5.115179      2.683018      6.469263
  C      -4.703982      2.788312      7.868932
  C      -3.667257      1.702328      8.146268
  N      -2.626945      1.768173      7.092704
  C      -1.993685      0.459260      6.822738
  C      -2.923782     -0.387459      5.980011
  C      -1.603688      2.807643      7.374463
  C      -1.184585      3.398094      6.033976
  N      -2.381065      3.858077      5.333357
  H      -2.356769     -1.250290      5.587047
  H      -3.741356     -0.811884      6.597888
  H      -1.074423      0.657029      6.253932
  H      -1.713378     -0.050315      7.761864
  H      -0.468826      4.225060      6.183719
  H      -0.661045      2.634719      5.433448
  H      -2.069605      3.593901      7.984661
  H      -0.764605      2.381111      7.952470
  H      -5.564396      2.659206      8.546034
  H      -4.274145      3.783851      8.081217
  H      -4.155034      0.720021      8.081166
  H      -3.216290      1.802182      9.149146
  C      -4.042959     -0.414795      3.832298
  C      -2.986836     -0.943079      2.847872
  C      -2.311316      0.157480      2.047013
  O      -3.239681      0.864328      1.187495
  C      -3.570092      0.332372     -0.001260
  C      -3.110476     -0.863136     -0.533862
  C      -3.565690     -1.265968     -1.809180
  N      -4.416051     -0.594096     -2.569156
  C      -4.876075      0.587387     -2.062914
  C      -5.786656      1.361274     -2.823754
  C      -6.257971      2.552505     -2.314715
  C      -5.827806      2.966724     -1.036516
  N      -4.978179      2.271349     -0.291277
  C      -4.493421      1.100837     -0.786235
  C      -2.626845      5.283913      5.543388
  C      -3.780872      5.831201      4.714710
  C      -3.481094      5.805119      3.222175
  O      -4.697644      5.692530      2.443713
  C      -5.563182      6.721010      2.411667
  C      -5.305381      8.033759      2.771221
  C      -6.333285      8.993272      2.632169
  N      -7.555863      8.750607      2.184980
  C      -7.829372      7.458851      1.838704
  C      -9.118996      7.121572      1.358863
  C      -9.395054      5.813746      1.019752
  C      -8.385130      4.839490      1.171878
  N      -7.165882      5.107701      1.621246
  C      -6.877015      6.398803      1.939229
  C      -6.547019      2.577569      6.197660
  C      -7.201949      3.879698      5.711961
  C      -8.543012      3.623506      5.050271
  O      -8.265391      2.755571      3.928299
  C      -9.278817      2.270696      3.196262
  C     -10.617082      2.604879      3.324365
  C     -11.551910      2.015548      2.443148
  N     -11.261944      1.149518      1.484997
  C      -9.947716      0.800797      1.355659
  C      -9.568328     -0.126841      0.354148
  C      -8.242365     -0.483757      0.227230
  C      -7.294021      0.092427      1.097554
  N      -7.600788      0.974164      2.041385
  C      -8.908338      1.327529      2.182097
  H      -4.569754     -1.277911      4.280494
  H      -4.795849      0.155508      3.276360
  H      -2.198984     -1.491491      3.389887
  H      -3.463663     -1.672199      2.173342
  H      -1.471883     -0.222627      1.445876
  H      -1.934285      0.940370      2.718804
  H      -2.411511     -1.501913      0.002864
  H      -3.196901     -2.212164     -2.217940
  H      -6.089602      0.985912     -3.802489
  H      -6.955726      3.173067     -2.877575
  H      -6.197526      3.898852     -0.599642
  H      -1.703671      5.846137      5.298683
  H      -2.838811      5.499933      6.611622
  H      -4.019637      6.847147      5.059744
  H      -4.672367      5.211156      4.892698
  H      -2.930844      4.891951      2.966759
  H      -2.900610      6.680415      2.890260
  H      -4.331744      8.344354      3.147007
  H      -6.118857     10.030067      2.910290
  H      -9.861976      7.915754      1.269829
  H     -10.375349      5.519679      0.643300
  H      -8.589941      3.796463      0.916031
  H      -7.069542      2.218926      7.102825
  H      -6.699114      1.811891      5.423094
  H      -6.538297      4.355741      4.974660
  H      -7.336704      4.592818      6.539378
  H      -9.002765      4.556805      4.687285
  H      -9.251686      3.116919      5.727313
  H     -10.959772      3.313350      4.076774
  H     -12.607288      2.287948      2.543868
  H     -10.346064     -0.536245     -0.292370
  H      -7.915524     -1.195788     -0.531200
  H      -6.238127     -0.176704      1.010168
  N      -4.454556      2.714702      3.446904
  N      -5.431427      2.815907      2.443904
  H      -6.239531      2.136382      2.566924
  H      -5.029433      2.605025      1.475860
  H      -5.855577      3.776389      2.356078
103
Coordinates from ORCA-job orca E -6485.336939635192
  N      -3.480963      0.418138      4.897490
  Mo     -3.753342      2.387984      5.083560
  N      -5.114914      2.682966      6.469294
  C      -4.704481      2.787424      7.869302
  C      -3.667576      1.701587      8.146469
  N      -2.626746      1.768578      7.093468
  C      -1.992646      0.460133      6.823133
  C      -2.921880     -0.386673      5.979587
  C      -1.604103      2.808401      7.376331
  C      -1.184249      3.399484      6.036409
  N      -2.380496      3.858818      5.334822
  H      -2.354088     -1.248983      5.586519
  H      -3.739500     -0.812033      6.596824
  H      -1.073222      0.658659      6.254804
  H      -1.712411     -0.049757      7.762112
  H      -0.469278      4.226946      6.187025
  H      -0.659658      2.636748      5.436046
  H      -2.070695      3.594251      7.986509
  H      -0.765226      2.382020      7.954728
  H      -5.565243      2.657888      8.545912
  H      -4.274885      3.782937      8.082313
  H      -4.154956      0.719132      8.080372
  H      -3.217188      1.800900      9.149664
  C      -4.043185     -0.413621      3.833106
  C      -2.988582     -0.944259      2.848306
  C      -2.313480      0.154923      2.045095
  O      -3.243106      0.861068      1.186390
  C      -3.572180      0.330462     -0.003435
  C      -3.111370     -0.864015     -0.537299
  C      -3.565262     -1.265223     -1.813652
  N      -4.415285     -0.592695     -2.573393
  C      -4.876589      0.587708     -2.065749
  C      -5.787081      1.362182     -2.826108
  C      -6.259731      2.552202     -2.315442
  C      -5.830993      2.964630     -1.036158
  N      -4.981403      2.268710     -0.291343
  C      -4.495403      1.099428     -0.787956
  C      -2.626943      5.284718      5.544445
  C      -3.780752      5.831977      4.715463
  C      -3.481090      5.805632      3.222920
  O      -4.697681      5.692609      2.444496
  C      -5.563172      6.721094      2.411925
  C      -5.305222      8.034010      2.770756
  C      -6.332995      8.993573      2.631243
  N      -7.555594      8.750827      2.184208
  C      -7.829224      7.458950      1.838545
  C      -9.118889      7.121661      1.358811
  C      -9.395097      5.813739      1.020266
  C      -8.385307      4.839405      1.172888
  N      -7.166029      5.107601      1.622183
  C      -6.877012      6.398822      1.939583
  C      -6.546637      2.577333      6.196980
  C      -7.201844      3.879773      5.712366
  C      -8.542843      3.623955      5.050261
  O      -8.265224      2.755722      3.928607
  C      -9.278298      2.271290      3.195859
  C     -10.616444      2.606485      3.322472
  C     -11.550700      2.017501      2.440406
  N     -11.260291      1.150958      1.482865
  C      -9.946211      0.800993      1.355246
  C      -9.566314     -0.127465      0.354691
  C      -8.240503     -0.485784      0.229864
  C      -7.292820      0.089772      1.101338
  N      -7.600003      0.972456      2.044140
  C      -8.907413      1.327200      2.182709
  H      -4.571175     -1.275536      4.282321
  H      -4.795618      0.157349      3.277181
  H      -2.200501     -1.492324      3.390307
  H      -3.466445     -1.674038      2.175223
  H      -1.475379     -0.226580      1.442978
  H      -1.934813      0.938292      2.715427
  H      -2.412554     -1.503111     -0.000844
  H      -3.195494     -2.210553     -2.223578
  H      -6.088883      0.988341     -3.805790
  H      -6.957397      3.173212     -2.877927
  H      -6.201562      3.895790     -0.598132
  H      -1.703789      5.847047      5.300112
  H      -2.839432      5.500653      6.612536
  H      -4.019067      6.848065      5.060437
  H      -4.672510      5.212359      4.893571
  H      -2.930769      4.892473      2.967544
  H      -2.900865      6.681009      2.890695
  H      -4.331499      8.344680      3.146236
  H      -6.118435     10.030485      2.908810
  H      -9.861755      7.915925      1.269425
  H     -10.375407      5.519556      0.643915
  H      -8.590392      3.796329      0.917470
  H      -7.069291      2.217461      7.101583
  H      -6.698148      1.812469      5.421489
  H      -6.538121      4.356484      4.975557
  H      -7.336802      4.592166      6.540378
  H      -9.002069      4.557430      4.687037
  H      -9.251993      3.117779      5.727110
  H     -10.959339      3.315448      4.074329
  H     -12.606037      2.290697      2.539816
  H     -10.343484     -0.536403     -0.292792
  H      -7.913265     -1.198441     -0.527824
  H      -6.237082     -0.180510      1.015862
  N      -4.453120      2.717604      3.447444
  N      -5.431098      2.815726      2.445101
  H      -6.238597      2.136262      2.570704
  H      -5.030286      2.602978      1.477176
  H      -5.855424      3.776040      2.355611
103
Coordinates from ORCA-job orca E -6485.336940049807
  N      -3.478357      0.418874      4.897112
  Mo     -3.751817      2.388725      5.083499
  N      -5.114320      2.682859      6.468442
  C      -4.704867      2.786875      7.868762
  C      -3.667634      1.701412      8.146108
  N      -2.626205      1.769308      7.093780
  C      -1.991219      0.461299      6.823605
  C      -2.919404     -0.385844      5.979292
  C      -1.604237      2.809557      7.377543
  C      -1.183660      3.401035      6.037986
  N      -2.379694      3.859798      5.335549
  H      -2.350773     -1.247662      5.586357
  H      -3.737089     -0.811958      6.595910
  H      -1.071525      0.660381      6.255956
  H      -1.711335     -0.048597      7.762683
  H      -0.469361      4.228952      6.189258
  H      -0.658138      2.638731      5.437876
  H      -2.071578      3.595148      7.987509
  H      -0.765614      2.383419      7.956515
  H      -5.565994      2.656771      8.544741
  H      -4.275813      3.782449      8.082437
  H      -4.154480      0.718766      8.079210
  H      -3.217916      1.800450      9.149628
  C      -4.040923     -0.413178      3.833220
  C      -2.986824     -0.944463      2.848290
  C      -2.312573      0.154213      2.043611
  O      -3.243677      0.859857      1.186087
  C      -3.575043      0.328124     -0.002650
  C      -3.116811     -0.867844     -0.535476
  C      -3.573090     -1.270059     -1.810647
  N      -4.423091     -0.597190     -2.570112
  C      -4.881858      0.584610     -2.063448
  C      -5.791927      1.359635     -2.823714
  C      -6.261625      2.551290     -2.314152
  C      -5.830399      2.964836     -1.036077
  N      -4.981200      2.268375     -0.291365
  C      -4.498147      1.097444     -0.786896
  C      -2.626672      5.285716      5.545055
  C      -3.780674      5.832822      4.716191
  C      -3.480851      5.807667      3.223648
  O      -4.697339      5.694132      2.445121
  C      -5.564204      6.721515      2.413961
  C      -5.308147      8.034222      2.774959
  C      -6.337339      8.992499      2.637039
  N      -7.559641      8.748662      2.189732
  C      -7.831421      7.456921      1.842037
  C      -9.120697      7.118446      1.362054
  C      -9.395008      5.810627      1.021566
  C      -8.383706      4.837584      1.172332
  N      -7.164747      5.106905      1.621800
  C      -6.877617      6.398059      1.941233
  C      -6.545848      2.577389      6.195059
  C      -7.200617      3.880046      5.710629
  C      -8.541340      3.624685      5.047824
  O      -8.263460      2.756023      3.926545
  C      -9.276384      2.272839      3.192696
  C     -10.614116      2.610298      3.317449
  C     -11.548109      2.022931      2.434011
  N     -11.257815      1.155950      1.476825
  C      -9.944166      0.803779      1.351001
  C      -9.564421     -0.125178      0.350832
  C      -8.239099     -0.485737      0.227851
  C      -7.291647      0.088036      1.100778
  N      -7.598673      0.971074      2.043309
  C      -8.905658      1.328118      2.180004
  H      -4.568948     -1.274778      4.282913
  H      -4.793423      0.157663      3.277257
  H      -2.198486     -1.492225      3.390208
  H      -3.465044     -1.674605      2.175855
  H      -1.475584     -0.227765      1.440317
  H      -1.932736      0.937892      2.712872
  H      -2.418430     -1.507421      0.001000
  H      -3.205421     -2.216537     -2.219761
  H      -6.095591      0.985015     -3.802511
  H      -6.958752      3.172838     -2.876707
  H      -6.198252      3.897628     -0.599095
  H      -1.703652      5.848301      5.300682
  H      -2.839092      5.501507      6.613210
  H      -4.019417      6.848603      5.061772
  H      -4.672185      5.212743      4.893855
  H      -2.929754      4.895210      2.967594
  H      -2.901407      6.683777      2.892083
  H      -4.334896      8.345672      3.151021
  H      -6.124315     10.029269      2.916338
  H      -9.864749      7.911744      1.274110
  H     -10.374951      5.515490      0.645020
  H      -8.587313      3.794613      0.915327
  H      -7.069162      2.217035      7.099081
  H      -6.696792      1.812978      5.419047
  H      -6.536459      4.356869      4.974272
  H      -7.335856      4.592201      6.538795
  H      -8.999854      4.558321      4.684129
  H      -9.251191      3.119051      5.724356
  H     -10.956803      3.319980      4.068731
  H     -12.603088      2.297890      2.531939
  H     -10.341358     -0.532748     -0.297805
  H      -7.912060     -1.198877     -0.529460
  H      -6.236230     -0.184072      1.016813
  N      -4.451065      2.719185      3.447144
  N      -5.429697      2.815572      2.445053
  H      -6.236632      2.135791      2.571324
  H      -5.028979      2.602609      1.477325
  H      -5.854589      3.775627      2.355013
103
Coordinates from ORCA-job orca E -6485.336939805333
  N      -3.477376      0.418501      4.897219
  Mo     -3.751766      2.388196      5.084018
  N      -5.114684      2.681618      6.468661
  C      -4.705717      2.785358      7.869145
  C      -3.668087      1.700252      8.146410
  N      -2.626369      1.768879      7.094407
  C      -1.990701      0.461193      6.824168
  C      -2.918142     -0.386219      5.979274
  C      -1.604900      2.809450      7.378723
  C      -1.184099      3.401170      6.039374
  N      -2.380095      3.859633      5.336624
  H      -2.348808     -1.247499      5.586156
  H      -3.735711     -0.813127      6.595507
  H      -1.070843      0.660772      6.256958
  H      -1.710979     -0.048767      7.763262
  H      -0.470134      4.229309      6.190900
  H      -0.658172      2.639079      5.439377
  H      -2.072690      3.594823      7.988619
  H      -0.766373      2.383497      7.957956
  H      -5.567002      2.654615      8.544825
  H      -4.277193      3.781075      8.083325
  H      -4.154506      0.717417      8.078992
  H      -3.218713      1.799095      9.150107
  C      -4.039468     -0.413624      3.833096
  C      -2.985160     -0.943876      2.847842
  C      -2.312189      0.155529      2.043061
  O      -3.244648      0.860726      1.186576
  C      -3.575660      0.329459     -0.002505
  C      -3.117017     -0.866113     -0.535849
  C      -3.573163     -1.267962     -1.811186
  N      -4.423420     -0.595110     -2.570360
  C      -4.882522      0.586385     -2.063248
  C      -5.792838      1.361409     -2.823255
  C      -6.262764      2.552822     -2.313335
  C      -5.831545      2.966160     -1.035191
  N      -4.982218      2.269619     -0.290659
  C      -4.498939      1.098893     -0.786504
  C      -2.627020      5.285606      5.545817
  C      -3.781135      5.832491      4.717015
  C      -3.481038      5.806971      3.224514
  O      -4.697284      5.693574      2.445561
  C      -5.563039      6.721858      2.412366
  C      -5.305619      8.034970      2.770930
  C      -6.333677      8.994153      2.630715
  N      -7.556048      8.750856      2.183301
  C      -7.829128      7.458765      1.837939
  C      -9.118541      7.120853      1.357926
  C      -9.394170      5.812690      1.019882
  C      -8.384095      4.838736      1.173166
  N      -7.165022      5.107549      1.622626
  C      -6.876576      6.399005      1.939611
  C      -6.546112      2.575957      6.194803
  C      -7.201210      3.878734      5.711217
  C      -8.542077      3.623392      5.048653
  O      -8.264328      2.755024      3.927105
  C      -9.277367      2.271616      3.193507
  C     -10.615223      2.608227      3.318999
  C     -11.549356      2.020179      2.436156
  N     -11.259047      1.153357      1.478846
  C      -9.945232      0.802044      1.352302
  C      -9.565432     -0.126791      0.352038
  C      -8.239946     -0.486543      0.228417
  C      -7.292392      0.087895      1.100821
  N      -7.599501      0.970807      2.043412
  C      -8.906607      1.327085      2.180687
  H      -4.566868     -1.275715      4.282609
  H      -4.792379      0.156883      3.277312
  H      -2.196412     -1.491335      3.389445
  H      -3.463033     -1.674080      2.175200
  H      -1.475494     -0.225598      1.438850
  H      -1.932340      0.939296      2.712188
  H      -2.418508     -1.505732      0.000383
  H      -3.205274     -2.214167     -2.220615
  H      -6.096436      0.986928     -3.802143
  H      -6.960036      3.174334     -2.875720
  H      -6.199457      3.898784     -0.598070
  H      -1.704062      5.848042      5.300910
  H      -2.838917      5.501705      6.613990
  H      -4.019952      6.848300      5.062395
  H      -4.672578      5.212358      4.894787
  H      -2.930066      4.894301      2.968867
  H      -2.901229      6.682851      2.892880
  H      -4.332127      8.346049      3.146664
  H      -6.119590     10.031234      2.908043
  H      -9.861613      7.914865      1.268025
  H     -10.374247      5.517959      0.643372
  H      -8.588817      3.795461      0.918257
  H      -7.069593      2.214740      7.098395
  H      -6.696605      1.812090      5.418175
  H      -6.537384      4.356088      4.974910
  H      -7.336391      4.590438      6.539787
  H      -9.000805      4.557037      4.685289
  H      -9.251685      3.117493      5.725241
  H     -10.957960      3.317654      4.070485
  H     -12.604508      2.294415      2.534757
  H     -10.342456     -0.534978     -0.296094
  H      -7.912898     -1.199623     -0.528952
  H      -6.236861     -0.183644      1.016377
  N      -4.450880      2.719166      3.447633
  N      -5.430106      2.815444      2.445970
  H      -6.236578      2.135421      2.572268
  H      -5.029480      2.602939      1.478047
  H      -5.855392      3.775370      2.356344
103
Coordinates from ORCA-job orca E -6485.336939463881
  N      -3.476894      0.418210      4.897346
  Mo     -3.751547      2.387853      5.083914
  N      -5.114682      2.681417      6.468285
  C      -4.705985      2.785361      7.868828
  C      -3.668263      1.700418      8.146377
  N      -2.626378      1.768952      7.094521
  C      -1.990590      0.461236      6.824639
  C      -2.917790     -0.386336      5.979616
  C      -1.605012      2.809620      7.378837
  C      -1.184010      3.401091      6.039458
  N      -2.379932      3.859429      5.336456
  H      -2.348285     -1.247588      5.586683
  H      -3.735445     -0.813267      6.595717
  H      -1.070560      0.660732      6.257673
  H      -1.711139     -0.048561      7.763901
  H      -0.470076      4.229262      6.190920
  H      -0.657981      2.638890      5.439692
  H      -2.072933      3.595098      7.988498
  H      -0.766585      2.383805      7.958311
  H      -5.567376      2.654496      8.544360
  H      -4.277682      3.781175      8.083019
  H      -4.154597      0.717531      8.079003
  H      -3.219054      1.799414      9.150132
  C      -4.038546     -0.414108      3.833127
  C      -2.983913     -0.944034      2.848044
  C      -2.311424      0.155600      2.043216
  O      -3.244318      0.860403      1.186821
  C      -3.574924      0.329203     -0.002411
  C      -3.115578     -0.865946     -0.536077
  C      -3.571476     -1.267762     -1.811514
  N      -4.422077     -0.595213     -2.570574
  C      -4.881732      0.585967     -2.063246
  C      -5.792302      1.360763     -2.823198
  C      -6.262635      2.551969     -2.313170
  C      -5.831628      2.965278     -1.034953
  N      -4.982217      2.268866     -0.290390
  C      -4.498475      1.098382     -0.786346
  C      -2.626569      5.285524      5.545158
  C      -3.780962      5.832217      4.716621
  C      -3.481095      5.806652      3.224067
  O      -4.697459      5.693223      2.445339
  C      -5.563334      6.721418      2.412448
  C      -5.306108      8.034457      2.771405
  C      -6.334333      8.993514      2.631523
  N      -7.556683      8.750155      2.184095
  C      -7.829578      7.458125      1.838375
  C      -9.118963      7.120144      1.358334
  C      -9.394399      5.812037      1.019924
  C      -8.384149      4.838209      1.172861
  N      -7.165095      5.107093      1.622330
  C      -6.876846      6.398493      1.939686
  C      -6.546063      2.575922      6.194176
  C      -7.201103      3.878917      5.711115
  C      -8.542184      3.623884      5.048855
  O      -8.264828      2.755579      3.927162
  C      -9.278091      2.272466      3.193675
  C     -10.615863      2.609326      3.319404
  C     -11.550244      2.021616      2.436593
  N     -11.260240      1.154885      1.479109
  C      -9.946497      0.803350      1.352327
  C      -9.567012     -0.125356      0.351830
  C      -8.241589     -0.485294      0.227933
  C      -7.293815      0.088797      1.100337
  N      -7.600633      0.971559      2.043148
  C      -8.907648      1.328039      2.180660
  H      -4.565757     -1.276344      4.282590
  H      -4.791499      0.156184      3.277163
  H      -2.195028     -1.491164      3.389768
  H      -3.461464     -1.674463      2.175417
  H      -1.474601     -0.225093      1.438909
  H      -1.931843      0.939571      2.712266
  H      -2.416667     -1.505291     -0.000049
  H      -3.203041     -2.213676     -2.221143
  H      -6.095708      0.986270     -3.802141
  H      -6.960065      3.173330     -2.875530
  H      -6.199793      3.897803     -0.597844
  H      -1.703657      5.847763      5.299610
  H      -2.837879      5.502014      6.613362
  H      -4.019885      6.848019      5.061954
  H      -4.672262      5.211939      4.894614
  H      -2.930104      4.894005      2.968366
  H      -2.901365      6.682555      2.892350
  H      -4.332670      8.345574      3.147244
  H      -6.120414     10.030543      2.909176
  H      -9.862163      7.914068      1.268701
  H     -10.374452      5.517263      0.643382
  H      -8.588685      3.794974      0.917658
  H      -7.069712      2.214311      7.097523
  H      -6.696446      1.812396      5.417189
  H      -6.537446      4.356444      4.974767
  H      -7.335994      4.590385      6.539937
  H      -9.000838      4.557639      4.685674
  H      -9.251694      3.118034      5.725578
  H     -10.958376      3.318729      4.071015
  H     -12.605327      2.296060      2.535395
  H     -10.344207     -0.533289     -0.296254
  H      -7.914781     -1.198267     -0.529640
  H      -6.238359     -0.182945      1.015639
  N      -4.450550      2.718647      3.447421
  N      -5.430120      2.815064      2.446061
  H      -6.236860      2.135498      2.572620
  H      -5.029703      2.602208      1.478068
  H      -5.855009      3.775151      2.356270
