102
Coordinates from ORCA-job orca E -6484.523425265218
  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      -5.300209      2.999151      2.005859
  H      -6.041141      2.371833      1.692713
  H      -5.103218      3.822018      1.436074
102
Coordinates from ORCA-job orca E -6484.590685369875
  N      -2.905654      0.512444      4.669373
  Mo     -3.555245      2.340412      4.836029
  N      -4.871750      1.996812      6.216710
  C      -4.407546      1.798116      7.585230
  C      -2.993878      1.219150      7.580772
  N      -2.163043      1.953476      6.610240
  C      -1.059633      1.119015      6.111045
  C      -1.625440      0.047864      5.154099
  C      -1.640409      3.205486      7.186999
  C      -1.692419      4.255399      6.069704
  N      -3.004774      4.144243      5.468739
  H      -0.910784     -0.112326      4.332584
  H      -1.743801     -0.914587      5.677748
  H      -0.370535      1.769249      5.563757
  H      -0.516256      0.649239      6.942654
  H      -1.502019      5.256646      6.474688
  H      -0.915347      4.041701      5.319051
  H      -2.300881      3.531405      7.996292
  H      -0.627558      3.071207      7.585795
  H      -5.068935      1.102219      8.123388
  H      -4.427937      2.752852      8.136600
  H      -3.052144      0.172468      7.268278
  H      -2.549405      1.258008      8.584522
  C      -3.891791     -0.510506      4.438720
  C      -3.527880     -1.420108      3.247952
  C      -3.420856     -0.631573      1.944831
  O      -4.735422     -0.195803      1.554364
  C      -4.841935      0.246532      0.249805
  C      -5.649233     -0.451256     -0.630599
  C      -5.775839      0.009543     -1.947504
  N      -5.163796      1.076641     -2.421717
  C      -4.374646      1.783636     -1.580026
  C      -3.720961      2.945708     -2.047254
  C      -2.938138      3.667857     -1.170444
  C      -2.819727      3.229719      0.151466
  N      -3.405521      2.146732      0.627961
  C      -4.176029      1.417823     -0.212889
  C      -3.914408      5.233106      5.793462
  C      -4.996880      5.432046      4.722183
  C      -4.391424      5.860643      3.376528
  O      -5.109227      5.309646      2.274401
  C      -6.345738      5.745328      1.915913
  C      -6.902548      6.957899      2.277200
  C      -8.135771      7.325422      1.727248
  N      -8.808763      6.607289      0.854962
  C      -8.300196      5.407265      0.496771
  C      -8.988011      4.631405     -0.462885
  C      -8.491548      3.393588     -0.793566
  C      -7.356540      2.921089     -0.125077
  N      -6.649024      3.613701      0.753098
  C      -7.089504      4.881891      1.040651
  C      -6.307608      1.915174      6.134460
  C      -7.046827      3.095743      6.805822
  C      -8.257132      3.489922      5.975892
  O      -7.795595      3.955605      4.698475
  C      -8.721776      3.775174      3.693048
  C      -9.680821      4.738988      3.450396
  C     -10.607545      4.525305      2.428406
  N     -10.645770      3.433875      1.682895
  C      -9.729468      2.467125      1.919909
  C      -9.762974      1.274153      1.167700
  C      -8.828303      0.287115      1.433228
  C      -7.855897      0.522391      2.402520
  N      -7.776946      1.633459      3.127491
  C      -8.710394      2.594949      2.910789
  H      -4.024493     -1.148074      5.334132
  H      -4.848900     -0.019751      4.218158
  H      -2.567154     -1.909607      3.427410
  H      -4.299440     -2.187930      3.140934
  H      -3.007238     -1.268680      1.150806
  H      -2.774000      0.247746      2.072831
  H      -6.173149     -1.337877     -0.295572
  H      -6.402564     -0.524279     -2.655818
  H      -3.859202      3.241862     -3.079184
  H      -2.422931      4.565633     -1.485805
  H      -2.212364      3.773599      0.868914
  H      -3.352962      6.176023      5.887117
  H      -4.412865      5.041461      6.761850
  H      -5.733913      6.170144      5.056172
  H      -5.513174      4.477079      4.577885
  H      -3.391677      5.421779      3.263903
  H      -4.311139      6.951264      3.287468
  H      -6.402794      7.637316      2.953379
  H      -8.588227      8.274121      1.999988
  H      -9.889387      5.031029     -0.907343
  H      -8.977115      2.770117     -1.532364
  H      -7.000637      1.913103     -0.311384
  H      -6.663192      0.972842      6.589137
  H      -6.590651      1.905848      5.078615
  H      -6.375216      3.957029      6.859528
  H      -7.378511      2.846067      7.816587
  H      -8.830745      4.290465      6.465263
  H      -8.918977      2.624000      5.832538
  H      -9.697836      5.643466      4.045912
  H     -11.359451      5.273033      2.201280
  H     -10.529504      1.152315      0.413790
  H      -8.831448     -0.648526      0.886717
  H      -7.084429     -0.213898      2.610212
  N      -4.631087      2.713660      3.083603
  N      -5.270240      2.938028      2.033912
  H      -6.015877      2.306496      1.736156
  H      -5.055715      3.741059      1.461798
102
Coordinates from ORCA-job orca E -6484.636081964603
  N      -2.881355      0.498855      4.688277
  Mo     -3.538812      2.331547      4.855827
  N      -4.864787      1.988219      6.228352
  C      -4.399461      1.791140      7.602649
  C      -2.987410      1.213984      7.606771
  N      -2.150186      1.949950      6.634839
  C      -1.040247      1.114090      6.138866
  C      -1.598754      0.041028      5.182816
  C      -1.627898      3.210842      7.208548
  C      -1.674804      4.254095      6.084749
  N      -2.988865      4.147285      5.476060
  H      -0.877845     -0.116900      4.364726
  H      -1.716721     -0.923850      5.705866
  H      -0.349942      1.768349      5.593175
  H      -0.496693      0.647813      6.974675
  H      -1.483253      5.259765      6.484003
  H      -0.892015      4.032924      5.339936
  H      -2.291504      3.539895      8.016507
  H      -0.614500      3.075685      7.612641
  H      -5.063052      1.094634      8.140159
  H      -4.423721      2.748823      8.152709
  H      -3.041684      0.164985      7.295108
  H      -2.545390      1.254915      8.613883
  C      -3.866267     -0.532953      4.444338
  C      -3.493253     -1.442090      3.252070
  C      -3.377302     -0.666417      1.943641
  O      -4.695589     -0.233247      1.544140
  C      -4.816588      0.204113      0.245765
  C      -5.643419     -0.490907     -0.618531
  C      -5.794719     -0.030033     -1.940290
  N      -5.191675      1.040706     -2.430796
  C      -4.383883      1.747772     -1.596977
  C      -3.742430      2.919144     -2.070903
  C      -2.945574      3.642558     -1.206420
  C      -2.793776      3.195198      0.115214
  N      -3.366068      2.106621      0.597993
  C      -4.155236      1.377254     -0.231641
  C      -3.908346      5.241554      5.785500
  C      -4.995557      5.456390      4.716195
  C      -4.410189      5.900199      3.365441
  O      -5.146537      5.362425      2.260764
  C      -6.383820      5.778875      1.906817
  C      -6.960578      6.981205      2.275217
  C      -8.203117      7.335573      1.722273
  N      -8.864842      6.612236      0.836842
  C      -8.326256      5.419244      0.473993
  C      -8.995357      4.640410     -0.499006
  C      -8.481843      3.411894     -0.838226
  C      -7.343170      2.943500     -0.161443
  N      -6.646574      3.635733      0.733448
  C      -7.108685      4.903891      1.023126
  C      -6.305255      1.903586      6.134412
  C      -7.055282      3.077338      6.808030
  C      -8.269685      3.472067      5.987110
  O      -7.817907      3.956039      4.706635
  C      -8.749174      3.787346      3.711901
  C      -9.707825      4.753876      3.498757
  C     -10.651832      4.561199      2.477768
  N     -10.702986      3.482685      1.708882
  C      -9.776596      2.510230      1.917074
  C      -9.807828      1.332351      1.133491
  C      -8.860870      0.348718      1.358673
  C      -7.873302      0.567315      2.329929
  N      -7.796829      1.659112      3.082982
  C      -8.742685      2.619408      2.901214
  H      -4.001621     -1.168803      5.341122
  H      -4.825474     -0.046070      4.219540
  H      -2.529452     -1.931172      3.437923
  H      -4.265038     -2.214810      3.145157
  H      -2.958836     -1.310568      1.155495
  H      -2.731932      0.215017      2.068070
  H      -6.168413     -1.377802     -0.269102
  H      -6.439103     -0.569806     -2.635062
  H      -3.904982      3.221552     -3.101970
  H      -2.440376      4.550121     -1.522581
  H      -2.170711      3.744171      0.822594
  H      -3.342260      6.183423      5.883341
  H      -4.409936      5.047904      6.752773
  H      -5.729165      6.195810      5.064642
  H      -5.518301      4.505522      4.566721
  H      -3.410940      5.464603      3.223040
  H      -4.332202      6.994491      3.289364
  H      -6.468623      7.664415      2.960436
  H      -8.669427      8.279884      2.004741
  H      -9.902240      5.034539     -0.947808
  H      -8.958652      2.789193     -1.589241
  H      -6.975600      1.936122     -0.356927
  H      -6.656498      0.957076      6.586080
  H      -6.581530      1.891720      5.074138
  H      -6.386055      3.943988      6.869781
  H      -7.388075      2.819132      7.820136
  H      -8.845211      4.266557      6.488066
  H      -8.930723      2.604006      5.837952
  H      -9.710413      5.649785      4.115068
  H     -11.400192      5.324492      2.273236
  H     -10.584082      1.224863      0.380838
  H      -8.856244     -0.574986      0.782960
  H      -7.090286     -0.170766      2.505526
  N      -4.568484      2.687062      3.156523
  N      -5.193790      2.912155      2.096736
  H      -5.931408      2.272952      1.791494
  H      -4.968136      3.716737      1.532063
102
Coordinates from ORCA-job orca E -6484.668169046710
  N      -2.922105      0.475944      4.688111
  Mo     -3.558542      2.323262      4.864182
  N      -4.885996      2.006208      6.241112
  C      -4.411617      1.810835      7.616677
  C      -3.010150      1.211088      7.618917
  N      -2.163862      1.930244      6.636826
  C      -1.066331      1.074744      6.135367
  C      -1.641069      0.007010      5.184216
  C      -1.618589      3.192090      7.200056
  C      -1.655304      4.227281      6.068871
  N      -2.976461      4.142897      5.464394
  H      -0.921748     -0.157738      4.364879
  H      -1.768789     -0.958909      5.705615
  H      -0.370292      1.721831      5.585200
  H      -0.522577      0.605388      6.970740
  H      -1.445094      5.234350      6.459170
  H      -0.877126      3.987470      5.323604
  H      -2.273507      3.534503      8.011184
  H      -0.604379      3.041656      7.601226
  H      -5.083942      1.127102      8.161484
  H      -4.420401      2.773505      8.160716
  H      -3.080051      0.160252      7.312531
  H      -2.561114      1.250602      8.624430
  C      -3.920092     -0.545466      4.426582
  C      -3.546257     -1.440988      3.223775
  C      -3.398046     -0.657639      1.923175
  O      -4.703977     -0.191986      1.501512
  C      -4.806404      0.258984      0.211370
  C      -5.652271     -0.407320     -0.657188
  C      -5.796579      0.065382     -1.979830
  N      -5.171583      1.126310     -2.469107
  C      -4.344532      1.808276     -1.627128
  C      -3.682421      2.973049     -2.094904
  C      -2.869074      3.676388     -1.230829
  C      -2.716378      3.214117      0.090689
  N      -3.307780      2.132900      0.569785
  C      -4.116873      1.422813     -0.262781
  C      -3.888443      5.252675      5.765878
  C      -4.982225      5.488815      4.705209
  C      -4.407053      5.936543      3.353070
  O      -5.163631      5.413800      2.248473
  C      -6.394210      5.835493      1.900578
  C      -6.956213      7.046281      2.265578
  C      -8.199330      7.413396      1.713883
  N      -8.873880      6.693354      0.830925
  C      -8.342865      5.488917      0.476123
  C      -9.021108      4.711933     -0.493415
  C      -8.524465      3.474964     -0.826754
  C      -7.389751      2.992384     -0.144717
  N      -6.682755      3.678839      0.748990
  C      -7.130303      4.958603      1.026506
  C      -6.328891      1.939814      6.144366
  C      -7.061891      3.133336      6.795987
  C      -8.265063      3.506769      5.957582
  O      -7.792408      3.934895      4.659762
  C      -8.719615      3.722211      3.677759
  C      -9.668108      4.681744      3.412249
  C     -10.622361      4.437839      2.403039
  N     -10.689737      3.315011      1.698909
  C      -9.764137      2.348890      1.960927
  C      -9.804123      1.125095      1.246515
  C      -8.859546      0.153822      1.518146
  C      -7.858654      0.424029      2.472749
  N      -7.774177      1.555608      3.161691
  C      -8.721249      2.507557      2.931275
  H      -4.069863     -1.185885      5.317837
  H      -4.872370     -0.044797      4.200978
  H      -2.588916     -1.946509      3.413914
  H      -4.327817     -2.204935      3.101423
  H      -2.979285     -1.303620      1.135453
  H      -2.738811      0.211374      2.063681
  H      -6.201143     -1.284032     -0.311542
  H      -6.458066     -0.460354     -2.673489
  H      -3.846002      3.286554     -3.125359
  H      -2.348137      4.580764     -1.539777
  H      -2.077372      3.752224      0.796956
  H      -3.306808      6.186619      5.863731
  H      -4.389211      5.065205      6.735257
  H      -5.706820      6.235628      5.065905
  H      -5.521130      4.546800      4.554188
  H      -3.414166      5.492303      3.190960
  H      -4.318115      7.031950      3.283075
  H      -6.449722      7.727532      2.946601
  H      -8.651094      8.367776      1.996517
  H      -9.925074      5.117402     -0.944778
  H      -9.012012      2.854719     -1.576589
  H      -7.037699      1.976570     -0.338014
  H      -6.687889      1.001135      6.607368
  H      -6.604827      1.915893      5.082307
  H      -6.380769      3.994705      6.840416
  H      -7.402257      2.907321      7.815836
  H      -8.843622      4.321403      6.423830
  H      -8.929895      2.636434      5.831430
  H      -9.651919      5.612861      3.979786
  H     -11.361956      5.201503      2.157475
  H     -10.587988      0.978944      0.504181
  H      -8.858278     -0.803287      0.994318
  H      -7.075820     -0.309935      2.680421
  N      -4.549359      2.668352      3.247155
  N      -5.171446      2.897915      2.180551
  H      -5.917659      2.263501      1.882748
  H      -4.931194      3.693615      1.608744
102
Coordinates from ORCA-job orca E -6484.689900492980
  N      -2.873521      0.467804      4.706639
  Mo     -3.539578      2.314607      4.881718
  N      -4.874071      1.984879      6.249638
  C      -4.395687      1.795849      7.627382
  C      -2.987234      1.215115      7.639771
  N      -2.142314      1.944319      6.660171
  C      -1.030885      1.100381      6.163920
  C      -1.586843      0.023167      5.214554
  C      -1.612719      3.219039      7.218024
  C      -1.654126      4.244385      6.078963
  N      -2.971935      4.151187      5.465491
  H      -0.859602     -0.133336      4.399754
  H      -1.703347     -0.944436      5.736827
  H      -0.341357      1.758077      5.616448
  H      -0.482662      0.642021      7.003104
  H      -1.453435      5.257469      6.460994
  H      -0.867965      4.004547      5.341577
  H      -2.274540      3.557296      8.026025
  H      -0.598497      3.079072      7.625272
  H      -5.063214      1.104862      8.169705
  H      -4.419625      2.759871      8.169401
  H      -3.039159      0.162610      7.333353
  H      -2.543308      1.261677      8.647928
  C      -3.847518     -0.579001      4.436055
  C      -3.453922     -1.470805      3.238777
  C      -3.319716     -0.697618      1.935074
  O      -4.639999     -0.262348      1.516386
  C      -4.766159      0.177823      0.230464
  C      -5.623406     -0.498806     -0.618548
  C      -5.796226     -0.036171     -1.942795
  N      -5.195309      1.030230     -2.450616
  C      -4.361453      1.725440     -1.623172
  C      -3.730470      2.902167     -2.105138
  C      -2.913253      3.621994     -1.260538
  C      -2.719599      3.160985      0.059127
  N      -3.281128      2.070262      0.552744
  C      -4.098134      1.347243     -0.262925
  C      -3.896474      5.256720      5.750169
  C      -4.987927      5.487192      4.687519
  C      -4.426396      5.950864      3.337190
  O      -5.184932      5.423540      2.230503
  C      -6.424732      5.815494      1.888694
  C      -7.016126      7.010487      2.260753
  C      -8.269433      7.350775      1.710712
  N      -8.927381      6.622039      0.820538
  C      -8.361868      5.432602      0.460254
  C      -9.017132      4.645950     -0.517470
  C      -8.492727      3.422163     -0.855264
  C      -7.351355      2.958961     -0.167097
  N      -6.666636      3.655598      0.735710
  C      -7.140736      4.924621      1.011500
  C      -6.318794      1.900382      6.144093
  C      -7.074313      3.069960      6.816623
  C      -8.297284      3.455369      6.009670
  O      -7.857819      3.947326      4.718270
  C      -8.796662      3.788404      3.736774
  C      -9.751449      4.759129      3.543640
  C     -10.713525      4.583548      2.524529
  N     -10.781775      3.516498      1.740567
  C      -9.844662      2.541141      1.925070
  C      -9.869102      1.382143      1.107310
  C      -8.907639      0.408462      1.285420
  C      -7.906596      0.607885      2.262251
  N      -7.837642      1.674980      3.046964
  C      -8.797793      2.630626      2.900738
  H      -3.985379     -1.215825      5.331490
  H      -4.810674     -0.100866      4.208002
  H      -2.486069     -1.957581      3.432529
  H      -4.219456     -2.253424      3.121244
  H      -2.890490     -1.340791      1.150331
  H      -2.678887      0.186647      2.066194
  H      -6.161876     -1.377276     -0.256180
  H      -6.464229     -0.579045     -2.619008
  H      -3.923821      3.211678     -3.132976
  H      -2.416901      4.538840     -1.577212
  H      -2.073403      3.715785      0.747742
  H      -3.319359      6.193821      5.853562
  H      -4.402274      5.067473      6.716773
  H      -5.720070      6.224068      5.054138
  H      -5.520541      4.542034      4.532611
  H      -3.428592      5.523630      3.159475
  H      -4.354056      7.048428      3.273361
  H      -6.523476      7.699399      2.946130
  H      -8.741495      8.293974      2.002212
  H      -9.929085      5.035139     -0.970581
  H      -8.966112      2.796446     -1.610768
  H      -6.979642      1.949477     -0.363320
  H      -6.661081      0.950660      6.597650
  H      -6.588887      1.877925      5.080389
  H      -6.406410      3.941701      6.880313
  H      -7.402833      2.811926      7.834099
  H      -8.874803      4.247006      6.515820
  H      -8.958119      2.584647      5.862362
  H      -9.729694      5.650103      4.173751
  H     -11.450233      5.368462      2.337834
  H     -10.653342      1.292239      0.354382
  H      -8.885868     -0.497253      0.674923
  H      -7.111465     -0.131135      2.397615
  N      -4.482448      2.626930      3.332609
  N      -5.093167      2.850296      2.248108
  H      -5.820513      2.203380      1.939645
  H      -4.856434      3.649065      1.676971
102
Coordinates from ORCA-job orca E -6484.703575432746
  N      -2.897495      0.459253      4.708408
  Mo     -3.557274      2.316283      4.903160
  N      -4.896994      1.999751      6.269023
  C      -4.413041      1.808790      7.644823
  C      -3.010680      1.210069      7.657798
  N      -2.154661      1.927910      6.678943
  C      -1.052423      1.074099      6.178153
  C      -1.615635      0.007582      5.223450
  C      -1.612735      3.202321      7.231809
  C      -1.644501      4.224472      6.088672
  N      -2.962759      4.152671      5.470916
  H      -0.885111     -0.148359      4.410941
  H      -1.739934     -0.963891      5.737034
  H      -0.357644      1.730346      5.635157
  H      -0.505739      0.609931      7.015242
  H      -1.430820      5.237188      6.465359
  H      -0.858855      3.972730      5.354794
  H      -2.270939      3.546248      8.040497
  H      -0.600406      3.051090      7.640327
  H      -5.088999      1.126505      8.187768
  H      -4.427009      2.774109      8.184507
  H      -3.072187      0.158146      7.350744
  H      -2.566020      1.251832      8.665884
  C      -3.858219     -0.592654      4.404285
  C      -3.451154     -1.464373      3.199467
  C      -3.305584     -0.678035      1.908762
  O      -4.629560     -0.245112      1.493813
  C      -4.769212      0.206084      0.216248
  C      -5.649089     -0.455253     -0.622101
  C      -5.848423      0.020001     -1.936820
  N      -5.254932      1.087594     -2.447282
  C      -4.400255      1.768111     -1.629088
  C      -3.779918      2.947959     -2.113661
  C      -2.942141      3.657721     -1.283673
  C      -2.715577      3.180775      0.026806
  N      -3.267558      2.087091      0.524721
  C      -4.105452      1.375799     -0.280149
  C      -3.878586      5.266178      5.744363
  C      -4.966321      5.498782      4.679852
  C      -4.405321      5.963964      3.332669
  O      -5.164386      5.448712      2.215610
  C      -6.401027      5.862481      1.881598
  C      -6.973347      7.063038      2.266566
  C      -8.220098      7.431006      1.718789
  N      -8.889522      6.727678      0.817385
  C      -8.341498      5.533592      0.445373
  C      -8.999970      4.767849     -0.547354
  C      -8.491695      3.538934     -0.893372
  C      -7.365691      3.049642     -0.196696
  N      -6.685534      3.728830      0.718554
  C      -7.135514      4.997684      0.997002
  C      -6.341206      1.926969      6.156608
  C      -7.083682      3.117657      6.800988
  C      -8.297539      3.486167      5.976223
  O      -7.838194      3.916322      4.667891
  C      -8.768338      3.717618      3.685341
  C      -9.709943      4.687005      3.425469
  C     -10.671720      4.458899      2.416918
  N     -10.758232      3.342908      1.709377
  C      -9.831040      2.372378      1.956458
  C      -9.873032      1.163531      1.216213
  C      -8.918854      0.195834      1.446413
  C      -7.906353      0.448340      2.399681
  N      -7.822404      1.561042      3.115611
  C      -8.778439      2.512352      2.918134
  H      -3.998627     -1.239068      5.292124
  H      -4.823382     -0.119244      4.175864
  H      -2.484163     -1.952535      3.396291
  H      -4.210623     -2.250597      3.064647
  H      -2.871908     -1.310581      1.118175
  H      -2.668621      0.207223      2.050304
  H      -6.186088     -1.333136     -0.257103
  H      -6.534576     -0.515680     -2.600544
  H      -3.998897      3.267199     -3.133463
  H      -2.452724      4.577741     -1.603156
  H      -2.050482      3.730630      0.701117
  H      -3.292207      6.197307      5.852436
  H      -4.390724      5.085177      6.709283
  H      -5.697320      6.234539      5.049959
  H      -5.506688      4.557721      4.522463
  H      -3.408972      5.535179      3.153966
  H      -4.329267      7.061267      3.272207
  H      -6.467872      7.735032      2.959463
  H      -8.673551      8.379337      2.023366
  H      -9.901296      5.177305     -1.004151
  H      -8.967664      2.928718     -1.660021
  H      -7.008071      2.036457     -0.399203
  H      -6.691552      0.985782      6.621617
  H      -6.605091      1.889378      5.091791
  H      -6.406178      3.983593      6.844572
  H      -7.418658      2.892687      7.824473
  H      -8.873812      4.300994      6.445343
  H      -8.964964      2.616697      5.853748
  H      -9.673668      5.616729      3.995919
  H     -11.391092      5.245322      2.175980
  H     -10.664091      1.035278      0.475918
  H      -8.907509     -0.745920      0.894073
  H      -7.117110     -0.290037      2.570405
  N      -4.475024      2.628473      3.412783
  N      -5.078926      2.864314      2.315483
  H      -5.812288      2.226708      2.004988
  H      -4.831903      3.662534      1.741889
102
Coordinates from ORCA-job orca E -6484.712990138873
  N      -2.883109      0.440183      4.734200
  Mo     -3.563477      2.295514      4.935370
  N      -4.908723      1.992065      6.298234
  C      -4.420458      1.815220      7.673547
  C      -3.015345      1.218969      7.695631
  N      -2.153572      1.928255      6.715783
  C      -1.049537      1.073971      6.220596
  C      -1.603417      0.001543      5.266983
  C      -1.619659      3.214400      7.249644
  C      -1.646129      4.215821      6.087962
  N      -2.958704      4.143395      5.457766
  H      -0.864020     -0.154301      4.462159
  H      -1.726041     -0.969980      5.780866
  H      -0.355966      1.731988      5.678466
  H      -0.500727      0.618456      7.060962
  H      -1.431202      5.235083      6.445721
  H      -0.854185      3.950589      5.366100
  H      -2.282756      3.566290      8.050720
  H      -0.609958      3.070794      7.666698
  H      -5.097272      1.138099      8.221620
  H      -4.437544      2.785602      8.203150
  H      -3.070365      0.164675      7.395943
  H      -2.575616      1.269915      8.705246
  C      -3.813973     -0.626433      4.394270
  C      -3.377219     -1.468848      3.182773
  C      -3.233284     -0.660720      1.905665
  O      -4.564434     -0.243124      1.492397
  C      -4.719981      0.214959      0.218762
  C      -5.629957     -0.431650     -0.599836
  C      -5.856493      0.045800     -1.906973
  N      -5.266514      1.107516     -2.429724
  C      -4.386256      1.776522     -1.631351
  C      -3.774839      2.952998     -2.130940
  C      -2.910112      3.656157     -1.325673
  C      -2.646151      3.172498     -0.023992
  N      -3.190767      2.081799      0.489850
  C      -4.056627      1.378669     -0.292535
  C      -3.869058      5.265833      5.700164
  C      -4.952310      5.479647      4.629715
  C      -4.395190      5.932073      3.278988
  O      -5.155663      5.409387      2.162547
  C      -6.397031      5.833640      1.850774
  C      -6.952644      7.036458      2.252282
  C      -8.203868      7.419060      1.726800
  N      -8.894046      6.730575      0.831209
  C      -8.364350      5.534007      0.443444
  C      -9.040861      4.776058     -0.544247
  C      -8.547353      3.542208     -0.899016
  C      -7.418645      3.041924     -0.215602
  N      -6.731561      3.716761      0.693536
  C      -7.159151      4.983867      0.976995
  C      -6.352351      1.915450      6.176631
  C      -7.098926      3.105348      6.816155
  C      -8.321809      3.466390      6.000551
  O      -7.873720      3.902706      4.690270
  C      -8.812825      3.722191      3.711247
  C      -9.749574      4.701221      3.459486
  C     -10.711135      4.490805      2.448285
  N     -10.802581      3.385616      1.727199
  C      -9.877280      2.411389      1.959301
  C      -9.916065      1.222260      1.189960
  C      -8.957375      0.254225      1.393125
  C      -7.949173      0.483144      2.355817
  N      -7.870458      1.575842      3.102335
  C      -8.827340      2.530199      2.925375
  H      -3.952018     -1.285557      5.273041
  H      -4.787162     -0.171381      4.163284
  H      -2.405190     -1.945451      3.383196
  H      -4.117537     -2.268880      3.027709
  H      -2.788574     -1.274690      1.107154
  H      -2.611289      0.232772      2.059710
  H      -6.169558     -1.301245     -0.223780
  H      -6.562668     -0.484532     -2.552602
  H      -4.022519      3.274383     -3.142950
  H      -2.427316      4.574326     -1.660098
  H      -1.957369      3.718574      0.628254
  H      -3.276527      6.193938      5.799974
  H      -4.390278      5.109191      6.664658
  H      -5.684879      6.214547      4.995584
  H      -5.497098      4.538785      4.482952
  H      -3.397948      5.504867      3.106354
  H      -4.322335      7.028320      3.206430
  H      -6.429386      7.699238      2.940000
  H      -8.641626      8.369202      2.046574
  H      -9.943713      5.194603     -0.988649
  H      -9.037022      2.936474     -1.660297
  H      -7.072851      2.026250     -0.420568
  H      -6.698344      0.974581      6.644851
  H      -6.611713      1.869312      5.111098
  H      -6.425892      3.974645      6.857342
  H      -7.426023      2.882832      7.842409
  H      -8.898427      4.278370      6.473192
  H      -8.987039      2.595230      5.880420
  H      -9.707136      5.625918      4.036291
  H     -11.421842      5.287206      2.214490
  H     -10.704695      1.113292      0.444746
  H      -8.939609     -0.669334      0.813688
  H      -7.158639     -0.258456      2.504930
  N      -4.485818      2.586234      3.456727
  N      -5.083969      2.814758      2.350085
  H      -5.809876      2.172647      2.036369
  H      -4.841399      3.610761      1.767452
102
Coordinates from ORCA-job orca E -6484.720458202134
  N      -2.849664      0.429513      4.757214
  Mo     -3.558730      2.278088      4.972088
  N      -4.916967      1.976788      6.320870
  C      -4.432563      1.806043      7.697822
  C      -3.024551      1.215445      7.731983
  N      -2.152053      1.925092      6.761235
  C      -1.039618      1.078249      6.272690
  C      -1.573981      0.004653      5.312105
  C      -1.633721      3.221006      7.286514
  C      -1.648410      4.208121      6.113783
  N      -2.950810      4.134944      5.462002
  H      -0.821003     -0.147220      4.518573
  H      -1.695234     -0.969128      5.822924
  H      -0.345888      1.743629      5.739572
  H      -0.492251      0.627542      7.116993
  H      -1.436936      5.231970      6.461374
  H      -0.844423      3.936692      5.407583
  H      -2.308264      3.573818      8.077784
  H      -0.628722      3.086174      7.718041
  H      -5.111498      1.128949      8.243941
  H      -4.456243      2.777942      8.224449
  H      -3.069061      0.160565      7.431908
  H      -2.596753      1.269613      8.746843
  C      -3.743194     -0.658310      4.381734
  C      -3.274496     -1.476513      3.168138
  C      -3.158786     -0.656198      1.897624
  O      -4.510697     -0.288145      1.499941
  C      -4.709169      0.170936      0.233895
  C      -5.644232     -0.479579     -0.554156
  C      -5.925787      0.001302     -1.848512
  N      -5.368557      1.073781     -2.386296
  C      -4.466396      1.746985     -1.616454
  C      -3.892655      2.936245     -2.129922
  C      -3.006250      3.645970     -1.354363
  C      -2.681926      3.154129     -0.068634
  N      -3.189747      2.051344      0.458065
  C      -4.078070      1.343666     -0.295095
  C      -3.859423      5.264688      5.681737
  C      -4.938083      5.477110      4.608356
  C      -4.383193      5.939682      3.260910
  O      -5.138242      5.424518      2.133232
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  C      -6.951192      7.035002      2.264648
  C      -8.205446      7.420525      1.747531
  N      -8.890356      6.750895      0.833919
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  C      -9.020270      4.827116     -0.592106
  C      -8.519046      3.603090     -0.973082
  C      -7.393382      3.090919     -0.293856
  N      -6.722058      3.751603      0.636243
  C      -7.148456      5.010568      0.944540
  C      -6.359255      1.897747      6.181492
  C      -7.108908      3.089140      6.813954
  C      -8.333970      3.451521      6.002329
  O      -7.888189      3.893182      4.693067
  C      -8.830078      3.728421      3.714409
  C      -9.764552      4.712901      3.469608
  C     -10.729006      4.512927      2.459457
  N     -10.827206      3.412200      1.732242
  C      -9.900114      2.436961      1.951294
  C      -9.940013      1.258803      1.165815
  C      -8.974499      0.293492      1.347216
  C      -7.962120      0.512046      2.308252
  N      -7.884111      1.592525      3.072929
  C      -8.846260      2.545783      2.914900
  H      -3.869691     -1.328681      5.253932
  H      -4.729568     -0.232400      4.149644
  H      -2.290019     -1.927638      3.369094
  H      -3.985893     -2.300755      3.004535
  H      -2.700569     -1.248734      1.090754
  H      -2.568732      0.258368      2.051267
  H      -6.161054     -1.356224     -0.163186
  H      -6.650286     -0.534909     -2.468835
  H      -4.186310      3.260767     -3.128762
  H      -2.552418      4.573533     -1.703758
  H      -1.973657      3.705934      0.557407
  H      -3.261865      6.189329      5.784610
  H      -4.390902      5.120897      6.643429
  H      -5.672136      6.206628      4.981766
  H      -5.487107      4.538771      4.460076
  H      -3.383182      5.519086      3.089702
  H      -4.314723      7.036315      3.194163
  H      -6.432749      7.686890      2.966195
  H      -8.648563      8.360087      2.091413
  H      -9.923092      5.251349     -1.031793
  H      -9.000854      3.011039     -1.750754
  H      -7.042737      2.081180     -0.517856
  H      -6.707525      0.957123      6.648827
  H      -6.607112      1.846821      5.113398
  H      -6.436971      3.959651      6.857402
  H      -7.434150      2.867685      7.841380
  H      -8.908535      4.263685      6.477290
  H      -9.001206      2.581978      5.880595
  H      -9.719680      5.635660      4.049111
  H     -11.434741      5.316258      2.231946
  H     -10.732566      1.159479      0.423170
  H      -8.955766     -0.619779      0.751875
  H      -7.168737     -0.230485      2.439473
  N      -4.479961      2.557099      3.483791
  N      -5.053238      2.789891      2.364540
  H      -5.769925      2.145936      2.031259
  H      -4.820381      3.600750      1.796091
102
Coordinates from ORCA-job orca E -6484.726397688514
  N      -2.845728      0.412013      4.777882
  Mo     -3.574515      2.253328      5.001455
  N      -4.930970      1.968962      6.353338
  C      -4.439796      1.815546      7.729753
  C      -3.031236      1.228153      7.764408
  N      -2.156990      1.927412      6.786390
  C      -1.044982      1.077795      6.301771
  C      -1.572552     -0.003078      5.348319
  C      -1.642928      3.234225      7.287010
  C      -1.650042      4.194944      6.095332
  N      -2.949207      4.117517      5.436717
  H      -0.813032     -0.160675      4.561725
  H      -1.693790     -0.974466      5.864885
  H      -0.352556      1.741923      5.765040
  H      -0.494096      0.636100      7.149078
  H      -1.433939      5.225228      6.421731
  H      -0.842530      3.907160      5.399274
  H      -2.320182      3.599570      8.070635
  H      -0.639168      3.108196      7.725082
  H      -5.115065      1.143680      8.287624
  H      -4.462408      2.793273      8.246112
  H      -3.072353      0.170313      7.473455
  H      -2.604144      1.292537      8.779485
  C      -3.712072     -0.686577      4.367300
  C      -3.215804     -1.470116      3.143589
  C      -3.107781     -0.622835      1.889769
  O      -4.466009     -0.270082      1.492343
  C      -4.673309      0.198977      0.232826
  C      -5.636612     -0.428362     -0.541207
  C      -5.929563      0.061003     -1.830222
  N      -5.354915      1.121540     -2.377277
  C      -4.425746      1.773149     -1.619874
  C      -3.833264      2.950603     -2.141080
  C      -2.919814      3.640766     -1.378259
  C      -2.588977      3.141619     -0.096437
  N      -3.113564      2.049911      0.437383
  C      -4.026817      1.360256     -0.303940
  C      -3.845859      5.262386      5.633825
  C      -4.927167      5.468259      4.564583
  C      -4.372986      5.909410      3.210439
  O      -5.139107      5.394903      2.088390
  C      -6.384669      5.838509      1.809526
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  C      -8.176514      7.446720      1.746875
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  C      -8.384426      5.591001      0.426526
  C      -9.082418      4.856984     -0.565912
  C      -8.611987      3.621529     -0.949978
  C      -7.481225      3.091694     -0.291735
  N      -6.783146      3.746888      0.623348
  C      -7.178550      5.014436      0.935978
  C      -6.373788      1.886523      6.210522
  C      -7.126665      3.084349      6.826252
  C      -8.356844      3.433438      6.016534
  O      -7.913906      3.863944      4.702499
  C      -8.856251      3.708875      3.723579
  C      -9.777186      4.703920      3.471872
  C     -10.739389      4.514829      2.456162
  N     -10.845055      3.415668      1.725772
  C      -9.927393      2.431300      1.947804
  C      -9.971058      1.257155      1.155169
  C      -9.013530      0.283975      1.338475
  C      -8.009566      0.488298      2.312436
  N      -7.929756      1.562674      3.085420
  C      -8.880643      2.526644      2.922356
  H      -3.834142     -1.375318      5.226147
  H      -4.706156     -0.278247      4.135005
  H      -2.225595     -1.909074      3.345458
  H      -3.907687     -2.306526      2.957596
  H      -2.639086     -1.191728      1.071918
  H      -2.533513      0.298131      2.060817
  H      -6.166271     -1.295297     -0.143379
  H      -6.678386     -0.456735     -2.438003
  H      -4.134304      3.280899     -3.136379
  H      -2.451388      4.557277     -1.738500
  H      -1.859161      3.678368      0.518656
  H      -3.234905      6.180115      5.718600
  H      -4.376659      5.148234      6.600529
  H      -5.651777      6.208098      4.938229
  H      -5.491410      4.536244      4.433288
  H      -3.378236      5.474853      3.042677
  H      -4.290730      7.004273      3.129796
  H      -6.379131      7.684828      2.935183
  H      -8.595653      8.395655      2.097040
  H      -9.986412      5.295371     -0.990600
  H      -9.118586      3.032376     -1.715150
  H      -7.154797      2.074502     -0.516899
  H      -6.721557      0.950714      6.688403
  H      -6.617195      1.821074      5.142012
  H      -6.458410      3.958815      6.857438
  H      -7.445337      2.875823      7.859106
  H      -8.930985      4.250001      6.485147
  H      -9.023274      2.561517      5.905537
  H      -9.726960      5.628682      4.048793
  H     -11.437235      5.325588      2.228060
  H     -10.758790      1.169474      0.405228
  H      -8.997232     -0.625890      0.736554
  H      -7.225359     -0.263947      2.447250
  N      -4.512898      2.509222      3.513217
  N      -5.074847      2.730038      2.389220
  H      -5.790534      2.083863      2.057462
  H      -4.851592      3.541176      1.813579
102
Coordinates from ORCA-job orca E -6484.731285202185
  N      -2.836548      0.401109      4.798393
  Mo     -3.587548      2.229876      5.033256
  N      -4.944672      1.957685      6.384267
  C      -4.453863      1.814976      7.761854
  C      -3.044842      1.231580      7.798135
  N      -2.168974      1.927312      6.818024
  C      -1.053010      1.079490      6.339471
  C      -1.569041     -0.006828      5.388439
  C      -1.663428      3.242099      7.302968
  C      -1.655485      4.181245      6.096779
  N      -2.947600      4.097790      5.424035
  H      -0.800223     -0.170150      4.612006
  H      -1.694035     -0.975660      5.909529
  H      -0.360594      1.744513      5.803930
  H      -0.502516      0.644154      7.190538
  H      -1.438424      5.215875      6.408619
  H      -0.840727      3.882103      5.413842
  H      -2.348898      3.616772      8.075082
  H      -0.663786      3.124991      7.753541
  H      -5.126186      1.145708      8.326653
  H      -4.477259      2.795713      8.272632
  H      -3.081281      0.172447      7.511259
  H      -2.620673      1.301437      8.814348
  C      -3.675551     -0.706854      4.354322
  C      -3.146822     -1.456140      3.122901
  C      -3.060740     -0.589417      1.880094
  O      -4.430399     -0.277477      1.482451
  C      -4.660126      0.193541      0.228247
  C      -5.641261     -0.433375     -0.524104
  C      -5.963900      0.055834     -1.806107
  N      -5.403753      1.117949     -2.366444
  C      -4.459067      1.770906     -1.629609
  C      -3.883313      2.952362     -2.161497
  C      -2.955592      3.645438     -1.418268
  C      -2.593022      3.145216     -0.145745
  N      -3.100385      2.049843      0.396911
  C      -4.028110      1.356887     -0.323593
  C      -3.833725      5.254958      5.603929
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  C      -4.358078      5.888822      3.182031
  O      -5.130263      5.380659      2.062009
  C      -6.375530      5.834475      1.795720
  C      -6.908948      7.028960      2.249623
  C      -8.165491      7.446413      1.757992
  N      -8.879376      6.803795      0.846673
  C      -8.374798      5.613823      0.406332
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  C      -8.600021      3.667118     -1.001668
  C      -7.472746      3.123527     -0.347169
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  C      -7.171077      5.026899      0.910997
  C      -6.387339      1.877289      6.236793
  C      -7.137585      3.080960      6.842915
  C      -8.368619      3.424540      6.033437
  O      -7.924687      3.849723      4.718330
  C      -8.867870      3.702425      3.740515
  C      -9.783074      4.702143      3.488864
  C     -10.745105      4.519431      2.471140
  N     -10.855453      3.422093      1.738037
  C      -9.940337      2.434161      1.957217
  C      -9.984122      1.264502      1.157376
  C      -9.025796      0.290890      1.334722
  C      -8.024113      0.488464      2.313062
  N      -7.945608      1.556679      3.094280
  C      -8.895030      2.522837      2.934741
  H      -3.791159     -1.414810      5.198313
  H      -4.677086     -0.318502      4.120400
  H      -2.146179     -1.870262      3.325767
  H      -3.811077     -2.311225      2.920987
  H      -2.574824     -1.133071      1.055244
  H      -2.516563      0.346864      2.062403
  H      -6.160357     -1.301562     -0.115114
  H      -6.725947     -0.462206     -2.397066
  H      -4.208818      3.283088     -3.149045
  H      -2.501068      4.564613     -1.789465
  H      -1.851379      3.683825      0.453613
  H      -3.211829      6.166443      5.674006
  H      -4.362205      5.164271      6.574422
  H      -5.632055      6.206045      4.911706
  H      -5.491378      4.532174      4.414614
  H      -3.367481      5.443815      3.016060
  H      -4.264217      6.982445      3.096583
  H      -6.367748      7.664994      2.949188
  H      -8.583061      8.389989      2.124349
  H      -9.971715      5.343153     -1.020797
  H      -9.104021      3.089649     -1.777462
  H      -7.147936      2.108845     -0.585738
  H      -6.739708      0.945377      6.718771
  H      -6.626039      1.806640      5.167474
  H      -6.469632      3.956161      6.866720
  H      -7.452175      2.881302      7.878980
  H      -8.942303      4.243254      6.498970
  H      -9.034693      2.551805      5.926378
  H      -9.732550      5.627558      4.064752
  H     -11.438291      5.334256      2.243441
  H     -10.771098      1.182494      0.405914
  H      -9.009315     -0.614416      0.725663
  H      -7.241794     -0.266388      2.445540
  N      -4.528782      2.466452      3.539593
  N      -5.065863      2.685216      2.405915
  H      -5.774889      2.038002      2.058633
  H      -4.857055      3.512641      1.846005
102
Coordinates from ORCA-job orca E -6484.735438272990
  N      -2.828268      0.395949      4.817328
  Mo     -3.601669      2.209128      5.065434
  N      -4.955039      1.947363      6.419984
  C      -4.463733      1.816515      7.798466
  C      -3.053043      1.237565      7.833379
  N      -2.179725      1.929848      6.847414
  C      -1.060467      1.083261      6.373952
  C      -1.567887     -0.008091      5.426603
  C      -1.680431      3.251113      7.316743
  C      -1.658151      4.168914      6.096069
  N      -2.944942      4.078548      5.411694
  H      -0.790969     -0.179630      4.660124
  H      -1.699537     -0.973059      5.953475
  H      -0.367990      1.747854      5.838267
  H      -0.510382      0.653237      7.228058
  H      -1.439776      5.207340      6.393504
  H      -0.838048      3.858515      5.424701
  H      -2.373326      3.636758      8.076677
  H      -0.685041      3.142261      7.779425
  H      -5.131224      1.149196      8.371277
  H      -4.488626      2.800311      8.303312
  H      -3.086262      0.177109      7.551065
  H      -2.627562      1.312739      8.848854
  C      -3.639808     -0.719364      4.337523
  C      -3.079642     -1.430395      3.096397
  C      -3.018034     -0.543564      1.867517
  O      -4.398149     -0.278198      1.471276
  C      -4.650549      0.194704      0.223474
  C      -5.648557     -0.429560     -0.509183
  C      -5.996736      0.061991     -1.783438
  N      -5.445567      1.122677     -2.355448
  C      -4.485595      1.773615     -1.637158
  C      -3.919186      2.955473     -2.177932
  C      -2.978508      3.648233     -1.450780
  C      -2.593894      3.148048     -0.185099
  N      -3.090429      2.051310      0.364072
  C      -4.029991      1.358376     -0.339971
  C      -3.818641      5.247928      5.577739
  C      -4.901504      5.449267      4.513796
  C      -4.339441      5.861267      3.155760
  O      -5.121029      5.359196      2.041015
  C      -6.360737      5.833939      1.782750
  C      -6.876585      7.033121      2.243861
  C      -8.130561      7.467824      1.759329
  N      -8.857192      6.837260      0.849590
  C      -8.369642      5.642312      0.403114
  C      -9.077787      4.935391     -0.600534
  C      -8.622741      3.702017     -1.007952
  C      -7.495944      3.146251     -0.362711
  N      -6.789750      3.776171      0.563673
  C      -7.169850      5.040951      0.899799
  C      -6.398018      1.865823      6.267894
  C      -7.152324      3.076573      6.854772
  C      -8.382327      3.407958      6.036918
  O      -7.934386      3.823118      4.719622
  C      -8.875639      3.684368      3.738149
  C      -9.779365      4.692860      3.479343
  C     -10.736237      4.519023      2.454723
  N     -10.850768      3.424361      1.718886
  C      -9.945681      2.428433      1.943212
  C      -9.992759      1.261178      1.140167
  C      -9.044401      0.279132      1.323273
  C      -8.051924      0.464413      2.313370
  N      -7.971990      1.529084      3.098934
  C      -8.909086      2.505326      2.931083
  H      -3.746645     -1.449563      5.163183
  H      -4.648312     -0.350523      4.103345
  H      -2.068213     -1.816889      3.299209
  H      -3.714462     -2.303428      2.876371
  H      -2.513318     -1.058119      1.035518
  H      -2.507621      0.408255      2.064078
  H      -6.159549     -1.298058     -0.091076
  H      -6.774181     -0.451002     -2.358489
  H      -4.262255      3.287026     -3.159213
  H      -2.531103      4.567354     -1.830631
  H      -1.842155      3.685805      0.402190
  H      -3.185046      6.152550      5.628382
  H      -4.340251      5.182413      6.553777
  H      -5.607453      6.207658      4.885411
  H      -5.489824      4.528983      4.402124
  H      -3.355527      5.400504      2.992447
  H      -4.228596      6.952845      3.062440
  H      -6.325569      7.661359      2.942749
  H      -8.534862      8.414705      2.131729
  H      -9.978107      5.391367     -1.014824
  H      -9.135497      3.129962     -1.782117
  H      -7.181665      2.129348     -0.605520
  H      -6.754767      0.939198      6.756721
  H      -6.629260      1.785458      5.197681
  H      -6.487310      3.954380      6.868164
  H      -7.466849      2.890794      7.893429
  H      -8.959395      4.229590      6.493070
  H      -9.045565      2.532384      5.935463
  H      -9.728177      5.619095      4.053541
  H     -11.423750      5.338100      2.225298
  H     -10.773904      1.188008      0.381778
  H      -9.031334     -0.624402      0.711696
  H      -7.279473     -0.299319      2.453771
  N      -4.551421      2.425821      3.573049
  N      -5.071966      2.639184      2.431132
  H      -5.774715      1.990193      2.074211
  H      -4.880865      3.481035      1.882686
102
Coordinates from ORCA-job orca E -6484.739018059468
  N      -2.827020      0.390502      4.832191
  Mo     -3.619921      2.187912      5.091735
  N      -4.967904      1.938377      6.453294
  C      -4.476075      1.818186      7.832158
  C      -3.064408      1.241892      7.865322
  N      -2.195636      1.930218      6.872147
  C      -1.073947      1.083000      6.404755
  C      -1.576029     -0.013362      5.462534
  C      -1.700539      3.256665      7.326532
  C      -1.662245      4.153370      6.091664
  N      -2.944159      4.056754      5.395745
  H      -0.791402     -0.197007      4.706965
  H      -1.718829     -0.972713      5.996853
  H      -0.380249      1.745157      5.868075
  H      -0.525586      0.657596      7.262299
  H      -1.442501      5.195087      6.375379
  H      -0.837484      3.831556      5.431776
  H      -2.401440      3.655234      8.072287
  H      -0.710605      3.154741      7.802846
  H      -5.139639      1.153523      8.412525
  H      -4.501429      2.805006      8.331010
  H      -3.096774      0.180123      7.587595
  H      -2.635221      1.321671      8.878928
  C      -3.613302     -0.729100      4.317380
  C      -3.022362     -1.400866      3.068392
  C      -2.983903     -0.494033      1.853674
  O      -4.370728     -0.275826      1.451063
  C      -4.638389      0.199466      0.208246
  C      -5.645925     -0.425357     -0.511605
  C      -6.009082      0.064943     -1.781680
  N      -5.463772      1.123645     -2.362972
  C      -4.496406      1.776518     -1.656820
  C      -3.937709      2.958552     -2.204689
  C      -2.993103      3.655845     -1.487186
  C      -2.596665      3.160454     -0.223620
  N      -3.084278      2.062271      0.330681
  C      -4.026968      1.364400     -0.363508
  C      -3.806218      5.237487      5.550148
  C      -4.891576      5.434622      4.489658
  C      -4.325560      5.827517      3.128243
  O      -5.115677      5.328824      2.019713
  C      -6.349955      5.821594      1.765966
  C      -6.853166      7.022971      2.234654
  C      -8.104927      7.470441      1.755105
  N      -8.839484      6.851022      0.843961
  C      -8.362605      5.654855      0.389022
  C      -9.077997      4.957231     -0.616016
  C      -8.631329      3.722396     -1.028945
  C      -7.505957      3.157431     -0.389178
  N      -6.792757      3.778989      0.537477
  C      -7.166797      5.042897      0.879871
  C      -6.411619      1.859953      6.301460
  C      -7.163202      3.077387      6.877751
  C      -8.393876      3.400899      6.057787
  O      -7.943961      3.809965      4.739847
  C      -8.885987      3.678143      3.758468
  C      -9.783143      4.691833      3.497297
  C     -10.735305      4.524765      2.466870
  N     -10.849916      3.433660      1.726006
  C      -9.950573      2.432988      1.952326
  C      -9.994514      1.270212      1.142704
  C      -9.050042      0.284593      1.327560
  C      -8.067443      0.460035      2.329035
  N      -7.991944      1.519558      3.121742
  C      -8.921984      2.501144      2.948749
  H      -3.712981     -1.481095      5.123834
  H      -4.626768     -0.376623      4.081183
  H      -2.000896     -1.758394      3.273247
  H      -3.626492     -2.290676      2.829461
  H      -2.456300     -0.977149      1.017233
  H      -2.510000      0.472287      2.067347
  H      -6.150736     -1.294461     -0.087413
  H      -6.795057     -0.446435     -2.346521
  H      -4.290206      3.287518     -3.183482
  H      -2.551912      4.575485     -1.873062
  H      -1.842464      3.701507      0.357333
  H      -3.162313      6.135772      5.578946
  H      -4.318126      5.196711      6.532432
  H      -5.587659      6.204409      4.856117
  H      -5.489933      4.519397      4.389223
  H      -3.348105      5.352037      2.968198
  H      -4.198998      6.916752      3.026534
  H      -6.296440      7.643603      2.935773
  H      -8.500787      8.418238      2.134023
  H      -9.976795      5.420055     -1.025884
  H      -9.148680      3.155037     -1.803479
  H      -7.198143      2.139784     -0.636096
  H      -6.773262      0.938203      6.795493
  H      -6.640774      1.774567      5.231213
  H      -6.498374      3.955557      6.880641
  H      -7.474589      2.902978      7.919182
  H      -8.973060      4.223613      6.509225
  H      -9.054354      2.522847      5.959997
  H      -9.733367      5.617757      4.071969
  H     -11.418713      5.346997      2.236147
  H     -10.769480      1.203450      0.377440
  H      -9.034588     -0.615043      0.710358
  H      -7.299917     -0.307806      2.474342
  N      -4.577146      2.385992      3.600539
  N      -5.082992      2.592352      2.449506
  H      -5.778005      1.939946      2.084697
  H      -4.914455      3.449725      1.914456
102
Coordinates from ORCA-job orca E -6484.742140537613
  N      -2.820240      0.387973      4.847279
  Mo     -3.632372      2.169660      5.118216
  N      -4.976727      1.929782      6.485634
  C      -4.486795      1.819250      7.865584
  C      -3.074193      1.244885      7.899170
  N      -2.208917      1.929484      6.899953
  C      -1.084009      1.081682      6.439616
  C      -1.581099     -0.018358      5.501228
  C      -1.717922      3.259913      7.342706
  C      -1.661717      4.137903      6.096180
  N      -2.937812      4.036707      5.387114
  H      -0.788011     -0.215936      4.758320
  H      -1.738867     -0.971350      6.042753
  H      -0.387880      1.741412      5.903484
  H      -0.539299      0.659432      7.301063
  H      -1.441618      5.182308      6.368739
  H      -0.831858      3.806145      5.448153
  H      -2.428526      3.670812      8.072437
  H      -0.735089      3.163552      7.835027
  H      -5.148130      1.156680      8.450877
  H      -4.513802      2.808732      8.359102
  H      -3.106706      0.182011      7.625224
  H      -2.641571      1.328141      8.911032
  C      -3.581104     -0.734580      4.297488
  C      -2.961571     -1.366571      3.041638
  C      -2.951581     -0.440971      1.840977
  O      -4.344570     -0.275780      1.434065
  C      -4.633757      0.201949      0.197874
  C      -5.650482     -0.427757     -0.505427
  C      -6.036948      0.060882     -1.768784
  N      -5.506175      1.121523     -2.359984
  C      -4.531942      1.780436     -1.669392
  C      -3.990292      2.966312     -2.225538
  C      -3.042674      3.672726     -1.521308
  C      -2.625690      3.182684     -0.262400
  N      -3.095094      2.079469      0.297937
  C      -4.040250      1.372282     -0.382863
  C      -3.789635      5.227255      5.532300
  C      -4.875964      5.421954      4.474099
  C      -4.304570      5.797609      3.110208
  O      -5.102304      5.303136      2.006347
  C      -6.329196      5.815767      1.753205
  C      -6.816286      7.022402      2.224872
  C      -8.064484      7.484049      1.748820
  N      -8.809568      6.873565      0.840237
  C      -8.347833      5.672585      0.381915
  C      -9.074719      4.981416     -0.619666
  C      -8.639642      3.742911     -1.035070
  C      -7.514225      3.169503     -0.403284
  N      -6.790676      3.784775      0.519771
  C      -7.156225      5.049464      0.866584
  C      -6.420991      1.853627      6.330167
  C      -7.172915      3.079435      6.888161
  C      -8.402205      3.392450      6.060364
  O      -7.948318      3.791018      4.740424
  C      -8.889349      3.665461      3.756580
  C      -9.776900      4.686039      3.488074
  C     -10.723365      4.524902      2.451121
  N     -10.839174      3.435864      1.707730
  C      -9.949277      2.428505      1.940998
  C      -9.993522      1.267231      1.129458
  C      -9.059368      0.273625      1.323389
  C      -8.089117      0.437932      2.338648
  N      -8.014219      1.495870      3.133618
  C      -8.930915      2.487404      2.948344
  H      -3.673020     -1.506908      5.085053
  H      -4.598978     -0.397615      4.059107
  H      -1.929663     -1.692090      3.247010
  H      -3.532655     -2.273415      2.785690
  H      -2.400537     -0.888872      1.000204
  H      -2.518943      0.540344      2.071592
  H      -6.142644     -1.300626     -0.074112
  H      -6.830972     -0.452834     -2.320212
  H      -4.358666      3.291861     -3.199642
  H      -2.614714      4.596020     -1.913437
  H      -1.869728      3.731001      0.309293
  H      -3.136359      6.119252      5.541988
  H      -4.292648      5.207775      6.519693
  H      -5.563268      6.202068      4.834530
  H      -5.482696      4.511375      4.382224
  H      -3.333736      5.307445      2.953955
  H      -4.162384      6.884334      3.001682
  H      -6.251572      7.636267      2.925500
  H      -8.448917      8.435606      2.130113
  H      -9.972026      5.451383     -1.024644
  H      -9.164919      3.178904     -1.806754
  H      -7.214476      2.150189     -0.653284
  H      -6.788596      0.938074      6.831156
  H      -6.644703      1.759459      5.259570
  H      -6.508077      3.957714      6.879025
  H      -7.485096      2.920406      7.931785
  H      -8.985019      4.217712      6.502398
  H      -9.059745      2.511553      5.967911
  H      -9.727046      5.612766      4.061327
  H     -11.402354      5.350193      2.217878
  H     -10.760585      1.207239      0.355670
  H      -9.044501     -0.625077      0.704849
  H      -7.331823     -0.338029      2.494822
  N      -4.597319      2.352475      3.630613
  N      -5.092258      2.550911      2.472109
  H      -5.779080      1.892829      2.102777
  H      -4.952035      3.423841      1.951377
102
Coordinates from ORCA-job orca E -6484.744869283781
  N      -2.819695      0.385054      4.857254
  Mo     -3.648050      2.153308      5.137814
  N      -4.987124      1.924350      6.514360
  C      -4.497891      1.822581      7.894608
  C      -3.085656      1.248041      7.927670
  N      -2.224991      1.927314      6.921158
  C      -1.098597      1.076982      6.467892
  C      -1.594334     -0.026569      5.535309
  C      -1.736006      3.261089      7.352299
  C      -1.662351      4.121259      6.095127
  N      -2.933357      4.017095      5.374679
  H      -0.793968     -0.241797      4.805500
  H      -1.770586     -0.971370      6.085414
  H      -0.399483      1.732554      5.931026
  H      -0.557868      0.657489      7.333149
  H      -1.441040      5.167928      6.357021
  H      -0.828833      3.779186      5.457773
  H      -2.455709      3.685045      8.065485
  H      -0.760718      3.169036      7.860386
  H      -5.158005      1.163086      8.484713
  H      -4.524682      2.814710      8.382737
  H      -3.120696      0.184046      7.657986
  H      -2.647825      1.334609      8.936905
  C      -3.556848     -0.738116      4.273340
  C      -2.911435     -1.329885      3.011270
  C      -2.928086     -0.385527      1.825493
  O      -4.323149     -0.270020      1.409560
  C      -4.625199      0.211830      0.179074
  C      -5.647021     -0.419504     -0.516187
  C      -6.041854      0.066671     -1.777378
  N      -5.514495      1.125652     -2.375053
  C      -4.537992      1.787761     -1.691019
  C      -4.001753      2.973645     -2.252044
  C      -3.055579      3.686144     -1.552063
  C      -2.634631      3.202248     -0.292313
  N      -3.096714      2.097591      0.270970
  C      -4.039791      1.384224     -0.405506
  C      -3.776315      5.215935      5.511822
  C      -4.864711      5.406121      4.456285
  C      -4.289702      5.762917      3.088764
  O      -5.095275      5.269941      1.990833
  C      -6.314461      5.801707      1.737186
  C      -6.786709      7.013021      2.211406
  C      -8.031946      7.487209      1.739365
  N      -8.786771      6.884941      0.833672
  C      -8.337966      5.680819      0.370940
  C      -9.075275      4.995911     -0.627194
  C      -8.651211      3.754116     -1.044359
  C      -7.525769      3.172698     -0.420165
  N      -6.791814      3.782934      0.498145
  C      -7.149910      5.047731      0.849100
  C      -6.432093      1.853460      6.360336
  C      -7.177688      3.088777      6.905145
  C      -8.408372      3.393733      6.076298
  O      -7.954422      3.780696      4.753432
  C      -8.897299      3.657882      3.771107
  C      -9.778494      4.682550      3.497497
  C     -10.721108      4.524214      2.456584
  N     -10.837199      3.436061      1.711979
  C      -9.953921      2.424306      1.950865
  C      -9.995980      1.264331      1.137434
  C      -9.068299      0.265924      1.338688
  C      -8.109555      0.422460      2.365730
  N      -8.036689      1.479489      3.162104
  C      -8.943396      2.477895      2.966133
  H      -3.642475     -1.529641      5.041945
  H      -4.577890     -0.413825      4.032278
  H      -1.870521     -1.624077      3.217392
  H      -3.450089     -2.251276      2.737921
  H      -2.353084     -0.796353      0.982042
  H      -2.536166      0.608133      2.074889
  H      -6.134710     -1.293132     -0.081257
  H      -6.840171     -0.447406     -2.322163
  H      -4.373643      3.295186     -3.226063
  H      -2.631787      4.609930     -1.947338
  H      -1.880837      3.755575      0.277147
  H      -3.115189      6.102198      5.502406
  H      -4.270133      5.215971      6.503929
  H      -5.544193      6.196137      4.809376
  H      -5.478094      4.499090      4.374146
  H      -3.325494      5.258714      2.936344
  H      -4.133294      6.846725      2.971627
  H      -6.214690      7.620048      2.911869
  H      -8.406044      8.441844      2.123084
  H      -9.971496      5.472051     -1.027078
  H      -9.184982      3.193423     -1.812486
  H      -7.233930      2.152180     -0.673228
  H      -6.805301      0.944744      6.869357
  H      -6.655824      1.751617      5.290573
  H      -6.510044      3.964772      6.880751
  H      -7.486292      2.945559      7.951988
  H      -8.992063      4.221936      6.511474
  H      -9.064217      2.510791      5.991548
  H      -9.728165      5.610418      4.068664
  H     -11.395890      5.351979      2.219982
  H     -10.755956      1.208426      0.356458
  H      -9.051029     -0.631748      0.718681
  H      -7.360440     -0.359277      2.531578
  N      -4.621939      2.323531      3.652594
  N      -5.110986      2.511315      2.488309
  H      -5.789670      1.844750      2.119316
  H      -5.000921      3.396879      1.977803
102
Coordinates from ORCA-job orca E -6484.747233361851
  N      -2.813455      0.381202      4.870450
  Mo     -3.657580      2.137727      5.160128
  N      -4.995119      1.918617      6.542326
  C      -4.510078      1.824529      7.924223
  C      -3.098679      1.248771      7.960341
  N      -2.239423      1.922303      6.948823
  C      -1.111057      1.068921      6.504176
  C      -1.605088     -0.037534      5.576168
  C      -1.752588      3.258865      7.371201
  C      -1.658431      4.102576      6.105457
  N      -2.922851      3.997748      5.371525
  H      -0.796178     -0.272408      4.862115
  H      -1.803667     -0.973274      6.134295
  H      -0.407686      1.720275      5.967979
  H      -0.576133      0.651516      7.374106
  H      -1.435581      5.151049      6.358378
  H      -0.820499      3.750124      5.480113
  H      -2.483011      3.695092      8.066012
  H      -0.786550      3.169915      7.897443
  H      -5.171578      1.168039      8.516205
  H      -4.537625      2.818961      8.407685
  H      -3.136551      0.183753      7.694466
  H      -2.657904      1.338008      8.968044
  C      -3.527243     -0.740429      4.251754
  C      -2.857830     -1.293263      2.984701
  C      -2.901157     -0.332426      1.812379
  O      -4.297059     -0.264329      1.388621
  C      -4.620241      0.221710      0.165533
  C      -5.646991     -0.419007     -0.514590
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  N      -5.557541      1.126008     -2.376050
  C      -4.579757      1.799586     -1.705502
  C      -4.068055      2.992820     -2.273899
  C      -3.125601      3.721185     -1.585715
  C      -2.682887      3.245380     -0.330232
  N      -3.119163      2.132728      0.238027
  C      -4.058544      1.403064     -0.426339
  C      -3.757656      5.204547      5.500272
  C      -4.845547      5.393690      4.445319
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  C      -7.984655      7.499614      1.725542
  N      -8.750365      6.902980      0.825392
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  C      -9.067118      5.011140     -0.627401
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  C      -7.530271      3.175462     -0.427632
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  C      -7.132872      5.049021      0.837112
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  C      -7.181231      3.100115      6.908503
  C      -8.410201      3.395597      6.073006
  O      -7.952432      3.766654      4.746738
  C      -8.894789      3.645183      3.763688
  C      -9.767233      4.674833      3.480087
  C     -10.705093      4.517991      2.434424
  N     -10.821994      3.429070      1.691185
  C      -9.947808      2.411890      1.940293
  C      -9.990240      1.250624      1.128878
  C      -9.074323      0.244396      1.343762
  C      -8.129215      0.392840      2.384864
  N      -8.055342      1.451801      3.178749
  C      -8.947116      2.460332      2.965801
  H      -3.609197     -1.549647      5.001740
  H      -4.550316     -0.426480      4.006421
  H      -1.808796     -1.556386      3.191349
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  H      -4.456838      3.307928     -3.243509
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  H      -1.932686      3.812070      0.230953
  H      -3.088383      6.084559      5.476495
  H      -4.245690      5.220950      6.495019
  H      -5.517422      6.193327      4.790772
  H      -5.466154      4.491011      4.370512
  H      -3.308164      5.212932      2.927838
  H      -4.093146      6.812931      2.950450
  H      -6.163143      7.613803      2.894172
  H      -8.346229      8.459855      2.107594
  H      -9.961834      5.493784     -1.023035
  H      -9.200517      3.206037     -1.806229
  H      -7.247150      2.152930     -0.682958
  H      -6.821322      0.952898      6.901854
  H      -6.660278      1.740724      5.314554
  H      -6.509619      3.972686      6.868518
  H      -7.490468      2.976437      7.957683
  H      -8.995804      4.228387      6.496729
  H      -9.064930      2.510933      5.996577
  H      -9.715431      5.605124      4.047260
  H     -11.375772      5.347944      2.193281
  H     -10.741639      1.198923      0.339235
  H      -9.057040     -0.654758      0.725853
  H      -7.392850     -0.398016      2.565096
  N      -4.637802      2.298426      3.679816
  N      -5.123882      2.474806      2.511607
  H      -5.792272      1.796274      2.145060
  H      -5.049452      3.372064      2.012343
102
Coordinates from ORCA-job orca E -6484.749264437180
  N      -2.813039      0.381560      4.872773
  Mo     -3.670836      2.128935      5.171157
  N      -5.002700      1.918125      6.563603
  C      -4.518153      1.830546      7.945545
  C      -3.108043      1.253116      7.980811
  N      -2.253334      1.920501      6.962063
  C      -1.125104      1.063521      6.523361
  C      -1.622093     -0.045833      5.603260
  C      -1.766868      3.259461      7.375171
  C      -1.656768      4.088959      6.102173
  N      -2.916954      3.984281      5.359908
  H      -0.807591     -0.303803      4.903787
  H      -1.844228     -0.970205      6.171385
  H      -0.418854      1.709459      5.984875
  H      -0.593667      0.648219      7.396375
  H      -1.431294      5.138657      6.346978
  H      -0.817091      3.726855      5.485335
  H      -2.505579      3.706888      8.053898
  H      -0.808730      3.173154      7.916078
  H      -5.179938      1.177038      8.540431
  H      -4.544785      2.826860      8.425020
  H      -3.150070      0.187169      7.719100
  H      -2.661537      1.345074      8.985607
  C      -3.505498     -0.738430      4.224045
  C      -2.816897     -1.257907      2.953181
  C      -2.886678     -0.287060      1.791220
  O      -4.280510     -0.263637      1.359404
  C      -4.612679      0.229603      0.142949
  C      -5.643108     -0.407135     -0.536038
  C      -6.059481      0.075535     -1.790782
  N      -5.546111      1.136211     -2.398622
  C      -4.567725      1.807332     -1.726724
  C      -4.050043      2.998152     -2.294835
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  C      -2.675250      3.251831     -0.343944
  N      -3.114695      2.140093      0.222380
  C      -4.051211      1.411197     -0.445906
  C      -3.744886      5.196711      5.484924
  C      -4.836283      5.382303      4.434043
  C      -4.254994      5.702842      3.060093
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  C      -8.672790      3.776874     -1.044670
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  C      -6.448897      1.858916      6.409215
  C      -7.181156      3.116519      6.919543
  C      -8.413968      3.403754      6.086599
  O      -7.959949      3.758496      4.754973
  C      -8.905220      3.634815      3.774968
  C      -9.772533      4.666689      3.484154
  C     -10.709230      4.507690      2.438000
  N     -10.827780      3.416211      1.698877
  C      -9.959252      2.396260      1.955735
  C     -10.001179      1.232757      1.147480
  C      -9.091672      0.222688      1.372564
  C      -8.156540      0.368302      2.422696
  N      -8.082071      1.430286      3.212299
  C      -8.963698      2.444572      2.986015
  H      -3.583001     -1.563075      4.957036
  H      -4.530447     -0.433744      3.975665
  H      -1.760803     -1.490281      3.159749
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  H      -2.270806     -0.628462      0.945886
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  H      -6.117197     -1.285468     -0.095310
  H      -6.863432     -0.443681     -2.322172
  H      -4.433243      3.312203     -3.266843
  H      -2.700320      4.654144     -2.002743
  H      -1.928345      3.818747      0.221069
  H      -3.069894      6.071820      5.446193
  H      -4.224398      5.226410      6.483279
  H      -5.501415      6.189919      4.773354
  H      -5.462107      4.482545      4.368793
  H      -3.305492      5.169844      2.914982
  H      -4.070355      6.780056      2.925907
  H      -6.131829      7.601714      2.883763
  H      -8.308424      8.469510      2.102606
  H      -9.966054      5.515081     -1.017325
  H      -9.227121      3.222062     -1.802335
  H      -7.269838      2.157748     -0.697217
  H      -6.834592      0.966878      6.937941
  H      -6.671710      1.735579      5.341735
  H      -6.505627      3.984879      6.859911
  H      -7.483709      3.011407      7.972545
  H      -8.998120      4.241236      6.502782
  H      -9.068621      2.518039      6.022539
  H      -9.717798      5.600106      4.045667
  H     -11.376320      5.338921      2.191715
  H     -10.746806      1.181674      0.352520
  H      -9.072291     -0.678209      0.757251
  H      -7.429299     -0.428100      2.614691
  N      -4.660517      2.283033      3.693419
  N      -5.151024      2.446629      2.523935
  H      -5.810195      1.755512      2.164802
  H      -5.106728      3.349976      2.027986
102
Coordinates from ORCA-job orca E -6484.751024646222
  N      -2.806891      0.375747      4.884045
  Mo     -3.677233      2.115772      5.189586
  N      -5.009478      1.914893      6.585695
  C      -4.530657      1.833949      7.969864
  C      -3.122303      1.253505      8.010450
  N      -2.266621      1.912999      6.987511
  C      -1.138429      1.050606      6.557475
  C      -1.637647     -0.061840      5.644177
  C      -1.780265      3.254096      7.392924
  C      -1.649787      4.068626      6.113266
  N      -2.904065      3.966121      5.359765
  H      -0.815797     -0.345435      4.963388
  H      -1.887745     -0.973439      6.221477
  H      -0.427745      1.690370      6.017611
  H      -0.612304      0.637768      7.434974
  H      -1.419953      5.119203      6.350069
  H      -0.807349      3.694956      5.507573
  H      -2.528641      3.712737      8.053476
  H      -0.831757      3.169619      7.951027
  H      -5.196137      1.184342      8.564934
  H      -4.557557      2.832331      8.445006
  H      -3.168195      0.186385      7.753819
  H      -2.674384      1.348783      9.014299
  C      -3.477937     -0.738909      4.202438
  C      -2.767714     -1.221187      2.929108
  C      -2.862175     -0.237549      1.779077
  O      -4.253024     -0.256198      1.337508
  C      -4.605515      0.241984      0.128647
  C      -5.637682     -0.406323     -0.537418
  C      -6.076264      0.070490     -1.786390
  N      -5.585056      1.137801     -2.400950
  C      -4.608904      1.822736     -1.740240
  C      -4.118670      3.022602     -2.313931
  C      -3.185087      3.767979     -1.632212
  C      -2.729369      3.302417     -0.377408
  N      -3.140761      2.181764      0.192567
  C      -4.070216      1.434245     -0.465572
  C      -3.724653      5.185460      5.477672
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  C      -4.232699      5.672737      3.051689
  O      -5.063040      5.186258      1.970408
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  C      -6.679849      7.004669      2.170448
  C      -7.912496      7.516074      1.702638
  N      -8.696519      6.929965      0.811755
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  C      -8.674588      3.781736     -1.042847
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  C      -6.455745      1.863875      6.426411
  C      -7.179607      3.133908      6.916495
  C      -8.411196      3.412869      6.079313
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  C      -9.761129      4.658891      3.465053
  C     -10.695583      4.498383      2.416975
  N     -10.815600      3.404331      1.682007
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  C      -9.098122      0.198569      1.382569
  C      -8.174596      0.339394      2.444080
  N      -8.097364      1.404941      3.228686
  C      -8.965661      2.427419      2.986127
  H      -3.555066     -1.580055      4.916219
  H      -4.503357     -0.441076      3.947963
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  H      -6.094627     -1.291154     -0.091544
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  H      -4.518593      3.329299     -3.281651
  H      -2.798294      4.704178     -2.036373
  H      -1.988994      3.884809      0.180689
  H      -3.042687      6.054696      5.428145
  H      -4.199574      5.227626      6.477687
  H      -5.474399      6.187336      4.761259
  H      -5.450202      4.475809      4.371377
  H      -3.291533      5.124430      2.911015
  H      -4.033120      6.746128      2.908364
  H      -6.085415      7.594767      2.866561
  H      -8.251950      8.485244      2.082316
  H      -9.953274      5.530830     -1.015534
  H      -9.238833      3.228634     -1.794646
  H      -7.278249      2.155116     -0.704589
  H      -6.850243      0.981523      6.964732
  H      -6.675967      1.728736      5.359742
  H      -6.498430      3.996692      6.839889
  H      -7.481012      3.049747      7.971740
  H      -8.995439      4.255830      6.484140
  H      -9.066314      2.526721      6.025092
  H      -9.703282      5.595656      4.020825
  H     -11.359527      5.330853      2.165855
  H     -10.735531      1.166057      0.342387
  H      -9.078993     -0.704708      0.770771
  H      -7.460694     -0.465585      2.650569
  N      -4.671038      2.264496      3.716131
  N      -5.166524      2.413873      2.546235
  H      -5.811896      1.705546      2.194068
  H      -5.157972      3.322119      2.055599
102
Coordinates from ORCA-job orca E -6484.752541502454
  N      -2.801233      0.374894      4.887714
  Mo     -3.683481      2.108580      5.200347
  N      -5.013905      1.913573      6.601360
  C      -4.538447      1.838566      7.986857
  C      -3.131217      1.256529      8.030612
  N      -2.276476      1.909065      7.002724
  C      -1.149224      1.042171      6.578553
  C      -1.653546     -0.073202      5.674261
  C      -1.789630      3.251829      7.401192
  C      -1.644159      4.054363      6.116418
  N      -2.894874      3.954083      5.356470
  H      -0.826919     -0.384402      5.011551
  H      -1.931838     -0.970062      6.261667
  H      -0.436341      1.675847      6.034677
  H      -0.625373      0.632145      7.458756
  H      -1.409382      5.105290      6.346470
  H      -0.801139      3.670609      5.518359
  H      -2.545234      3.719275      8.047164
  H      -0.848730      3.169200      7.972340
  H      -5.206075      1.191861      8.582634
  H      -4.565768      2.838591      8.458400
  H      -3.180323      0.188252      7.779393
  H      -2.680978      1.355717      9.032965
  C      -3.451897     -0.735579      4.178561
  C      -2.722595     -1.183946      2.903675
  C      -2.844846     -0.192800      1.763231
  O      -4.230850     -0.257169      1.313012
  C      -4.598134      0.247021      0.111706
  C      -5.632665     -0.403723     -0.548862
  C      -6.079626      0.072993     -1.794613
  N      -5.595188      1.142512     -2.411169
  C      -4.619257      1.830935     -1.753965
  C      -4.136401      3.033701     -2.328123
  C      -3.204989      3.783533     -1.648206
  C      -2.743784      3.319474     -0.394883
  N      -3.146522      2.195596      0.174208
  C      -4.073568      1.443755     -0.482011
  C      -3.708787      5.178548      5.471510
  C      -4.803806      5.363150      4.425932
  C      -4.219840      5.646248      3.045474
  O      -5.059760      5.162418      1.971565
  C      -6.238560      5.769135      1.697247
  C      -6.650743      7.005331      2.161520
  C      -7.878101      7.528909      1.693210
  N      -8.670494      6.947649      0.806594
  C      -8.275915      5.723188      0.347167
  C      -9.058452      5.053404     -0.625827
  C      -8.684538      3.793900     -1.038290
  C      -7.555984      3.186015     -0.446139
  N      -6.777747      3.782736      0.444405
  C      -7.101361      5.052662      0.806865
  C      -6.460828      1.868972      6.441423
  C      -7.177336      3.149911      6.913968
  C      -8.411839      3.421210      6.077914
  O      -7.958320      3.740787      4.737145
  C      -8.907061      3.612179      3.761353
  C      -9.761761      4.649583      3.452400
  C     -10.696203      4.486147      2.404852
  N     -10.819371      3.388509      1.675911
  C      -9.964008      2.362292      1.951186
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  C      -9.118802      0.171494      1.402386
  C      -8.204233      0.310492      2.471863
  N      -8.123182      1.380692      3.249577
  C      -8.979791      2.409414      2.992626
  H      -3.525721     -1.591283      4.874987
  H      -4.478538     -0.446316      3.919614
  H      -1.655146     -1.353291      3.113594
  H      -3.138258     -2.152076      2.582530
  H      -2.193414     -0.465855      0.919865
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  H      -6.083784     -1.291048     -0.101818
  H      -6.883811     -0.460406     -2.311450
  H      -4.540891      3.338787     -3.294411
  H      -2.824262      4.721997     -2.052679
  H      -2.006529      3.906331      0.162586
  H      -3.021680      6.043074      5.411747
  H      -4.177507      5.230326      6.473901
  H      -5.453739      6.187496      4.753691
  H      -5.444099      4.472296      4.378215
  H      -3.287240      5.082952      2.907120
  H      -4.005959      6.715589      2.892710
  H      -6.050132      7.589583      2.857194
  H      -8.206396      8.502853      2.070330
  H      -9.949046      5.553132     -1.009214
  H      -9.258546      3.243336     -1.784381
  H      -7.294061      2.160248     -0.710704
  H      -6.861535      0.996287      6.990771
  H      -6.681258      1.721256      5.376572
  H      -6.492423      4.007863      6.818739
  H      -7.473106      3.084987      7.972118
  H      -8.993716      4.269748      6.474331
  H      -9.068379      2.535387      6.036164
  H      -9.699305      5.590254      4.000949
  H     -11.356984      5.319559      2.148587
  H     -10.742253      1.144471      0.345539
  H      -9.099988     -0.734720      0.794911
  H      -7.501820     -0.501051      2.691577
  N      -4.683618      2.253955      3.730038
  N      -5.190870      2.388460      2.562678
  H      -5.823396      1.664036      2.220568
  H      -5.210586      3.296798      2.071066
102
Coordinates from ORCA-job orca E -6484.753862638282
  N      -2.796016      0.368741      4.895221
  Mo     -3.688011      2.097681      5.212420
  N      -5.019009      1.910679      6.615181
  C      -4.548585      1.843372      8.002727
  C      -3.142884      1.258942      8.053150
  N      -2.286494      1.902006      7.020901
  C      -1.161430      1.028435      6.603834
  C      -1.672264     -0.090413      5.709710
  C      -1.797717      3.246314      7.411486
  C      -1.637644      4.035880      6.120961
  N      -2.885368      3.938148      5.355381
  H      -0.841374     -0.431968      5.067582
  H      -1.981373     -0.970335      6.307292
  H      -0.446289      1.654535      6.054314
  H      -0.639426      0.622452      7.487066
  H      -1.396068      5.086958      6.342976
  H      -0.794804      3.640372      5.530675
  H      -2.559325      3.722861      8.043622
  H      -0.863898      3.165416      7.994470
  H      -5.219679      1.201095      8.599363
  H      -4.576192      2.845841      8.468959
  H      -3.195050      0.189003      7.809898
  H      -2.692611      1.364229      9.054791
  C      -3.426380     -0.735492      4.158035
  C      -2.676833     -1.144586      2.881947
  C      -2.824774     -0.141327      1.755089
  O      -4.204604     -0.246177      1.294362
  C      -4.587592      0.263019      0.100335
  C      -5.621665     -0.396229     -0.553059
  C      -6.080626      0.075588     -1.795946
  N      -5.609661      1.148795     -2.416551
  C      -4.636765      1.846822     -1.765254
  C      -4.169476      3.054043     -2.342966
  C      -3.243068      3.814730     -1.668570
  C      -2.771049      3.357120     -0.416853
  N      -3.157840      2.228898      0.154582
  C      -4.079656      1.465913     -0.496134
  C      -3.692075      5.168436      5.463922
  C      -4.788982      5.351571      4.420548
  C      -4.205072      5.612763      3.036219
  O      -5.055139      5.130894      1.970590
  C      -6.221336      5.756640      1.688071
  C      -6.617399      7.000254      2.146428
  C      -7.838623      7.536743      1.676472
  N      -8.640361      6.959905      0.795290
  C      -8.260562      5.729145      0.340169
  C      -9.054512      5.062235     -0.625421
  C      -8.694988      3.796974     -1.033347
  C      -7.567085      3.182351     -0.446924
  N      -6.778134      3.776196      0.436091
  C      -7.091009      5.048832      0.797918
  C      -6.466052      1.874718      6.452444
  C      -7.172450      3.166944      6.907917
  C      -8.408501      3.432080      6.072811
  O      -7.956878      3.734722      4.727550
  C      -8.909663      3.603259      3.756465
  C      -9.760059      4.642540      3.442035
  C     -10.696688      4.476590      2.396873
  N     -10.824305      3.375661      1.673731
  C      -9.973273      2.347364      1.954502
  C     -10.021075      1.175066      1.159478
  C      -9.137497      0.150234      1.417291
  C      -8.227548      0.287964      2.491021
  N      -8.141871      1.361707      3.263368
  C      -8.990175      2.395132      2.996992
  H      -3.497672     -1.606639      4.835177
  H      -4.453825     -0.454232      3.893835
  H      -1.605482     -1.282310      3.095281
  H      -3.059384     -2.121247      2.545652
  H      -2.157998     -0.378188      0.912982
  H      -2.620498      0.885085      2.081087
  H      -6.061608     -1.287708     -0.103220
  H      -6.882590     -0.466131     -2.307555
  H      -4.582432      3.353397     -3.307468
  H      -2.874844      4.756743     -2.076472
  H      -2.038404      3.953168      0.136917
  H      -2.999579      6.027908      5.394479
  H      -4.156357      5.231115      6.467721
  H      -5.430383      6.185262      4.741514
  H      -5.437683      4.466090      4.383369
  H      -3.281869      5.033408      2.901981
  H      -3.975601      6.677286      2.872211
  H      -6.009911      7.579162      2.840612
  H      -8.154237      8.516632      2.048973
  H      -9.942449      5.568377     -1.006585
  H      -9.279247      3.248077     -1.772654
  H      -7.312922      2.154940     -0.712643
  H      -6.874805      1.012224      7.011760
  H      -6.686014      1.715600      5.389175
  H      -6.482697      4.018928      6.795222
  H      -7.462946      3.121216      7.968515
  H      -8.987307      4.286449      6.461089
  H      -9.067318      2.547459      6.042492
  H      -9.692313      5.586637      3.984067
  H     -11.354905      5.310985      2.137075
  H     -10.751955      1.127541      0.350660
  H      -9.120147     -0.757827      0.812619
  H      -7.533695     -0.528592      2.719408
  N      -4.692547      2.239400      3.744750
  N      -5.214495      2.357142      2.581451
  H      -5.830268      1.613597      2.249196
  H      -5.262816      3.263468      2.087230
102
Coordinates from ORCA-job orca E -6484.755031558639
  N      -2.787437      0.364086      4.902379
  Mo     -3.689860      2.088088      5.223719
  N      -5.022297      1.906048      6.626512
  C      -4.556945      1.847829      8.016219
  C      -3.152057      1.262609      8.074720
  N      -2.293563      1.896219      7.038477
  C      -1.170542      1.016731      6.627808
  C      -1.687709     -0.105231      5.743651
  C      -1.802711      3.241777      7.421744
  C      -1.631160      4.019755      6.126214
  N      -2.876910      3.924269      5.357119
  H      -0.853525     -0.476824      5.122751
  H      -2.027086     -0.967558      6.350463
  H      -0.454559      1.635961      6.071684
  H      -0.648864      0.615262      7.513338
  H      -1.382723      5.070814      6.340469
  H      -0.789383      3.613272      5.542163
  H      -2.568764      3.725986      8.042575
  H      -0.874502      3.162699      8.013899
  H      -5.230932      1.209673      8.614003
  H      -4.585891      2.853067      8.476342
  H      -3.205809      0.190729      7.840903
  H      -2.703020      1.375760      9.075989
  C      -3.396146     -0.734863      4.138862
  C      -2.627759     -1.103090      2.861532
  C      -2.805370     -0.089737      1.748150
  O      -4.178175     -0.237096      1.279422
  C      -4.578750      0.275739      0.093284
  C      -5.613528     -0.391626     -0.551329
  C      -6.087378      0.076887     -1.789569
  N      -5.631482      1.154681     -2.413574
  C      -4.660027      1.861288     -1.769564
  C      -4.208825      3.073219     -2.350205
  C      -3.284912      3.842867     -1.682603
  C      -2.799214      3.389677     -0.434525
  N      -3.169698      2.256994      0.138610
  C      -4.088586      1.484888     -0.505357
  C      -3.675691      5.160230      5.458943
  C      -4.772558      5.343140      4.416320
  C      -4.187612      5.581062      3.028582
  O      -5.048749      5.103316      1.971384
  C      -6.200418      5.750196      1.680051
  C      -6.576923      7.003002      2.129904
  C      -7.790616      7.554380      1.657437
  N      -8.603615      6.982319      0.783361
  C      -8.242163      5.743401      0.335427
  C      -9.049633      5.079606     -0.620947
  C      -8.707776      3.807248     -1.022055
  C      -7.582014      3.184151     -0.440532
  N      -6.780927      3.774414      0.434027
  C      -7.079400      5.051381      0.792361
  C      -6.469724      1.876042      6.460675
  C      -7.169461      3.178375      6.897119
  C      -8.407878      3.436337      6.062748
  O      -7.958855      3.720576      4.712531
  C      -8.914753      3.587524      3.744369
  C      -9.757698      4.630594      3.421863
  C     -10.695167      4.463700      2.377705
  N     -10.829270      3.359187      1.661349
  C      -9.985770      2.326928      1.949979
  C     -10.038784      1.151011      1.160603
  C      -9.164153      0.120884      1.427638
  C      -8.259229      0.256839      2.505832
  N      -8.167642      1.334539      3.271947
  C      -9.005038      2.373944      2.994769
  H      -3.461226     -1.620546      4.797231
  H      -4.425449     -0.464560      3.870671
  H      -1.553138     -1.206035      3.078027
  H      -2.974173     -2.087815      2.509827
  H      -2.125989     -0.288965      0.906586
  H      -2.639312      0.938281      2.090452
  H      -6.041111     -1.287711     -0.098628
  H      -6.888412     -0.472156     -2.294847
  H      -4.632358      3.368578     -3.311343
  H      -2.929246      4.788426     -2.093468
  H      -2.069219      3.993225      0.114565
  H      -2.977609      6.014469      5.381547
  H      -4.136942      5.233132      6.463416
  H      -5.404081      6.187117      4.729511
  H      -5.430957      4.464358      4.388958
  H      -3.275212      4.983819      2.898879
  H      -3.940134      6.639885      2.853718
  H      -5.960932      7.576590      2.820971
  H      -8.090799      8.541693      2.023009
  H      -9.933626      5.593701     -1.000679
  H      -9.303725      3.260228     -1.753285
  H      -7.338314      2.153828     -0.705161
  H      -6.885191      1.023890      7.030745
  H      -6.688273      1.703664      5.399280
  H      -6.476582      4.025245      6.766679
  H      -7.454675      3.151802      7.959790
  H      -8.982770      4.297349      6.442083
  H      -9.069696      2.553582      6.045284
  H      -9.683083      5.578583      3.956084
  H     -11.347932      5.300659      2.112361
  H     -10.766514      1.104944      0.348866
  H      -9.150112     -0.789864      0.826920
  H      -7.574856     -0.565086      2.743526
  N      -4.699329      2.226531      3.759256
  N      -5.240223      2.328330      2.602735
  H      -5.840259      1.567489      2.281903
  H      -5.312939      3.230874      2.104269
102
Coordinates from ORCA-job orca E -6484.756053120916
  N      -2.781496      0.356441      4.910346
  Mo     -3.692688      2.076372      5.234041
  N      -5.027112      1.900335      6.635914
  C      -4.566496      1.852828      8.027706
  C      -3.162643      1.266393      8.095565
  N      -2.301325      1.889011      7.055183
  C      -1.181235      1.002653      6.650787
  C      -1.705307     -0.122225      5.776604
  C      -1.807051      3.235557      7.430220
  C      -1.626483      4.002029      6.129359
  N      -2.871530      3.908529      5.358618
  H      -0.869459     -0.522557      5.176040
  H      -2.073180     -0.967137      6.391417
  H      -0.465085      1.614676      6.086927
  H      -0.658890      0.606235      7.538217
  H      -1.370684      5.052943      6.335274
  H      -0.786677      3.584534      5.550371
  H      -2.575578      3.727426      8.041941
  H      -0.882910      3.158094      8.028943
  H      -5.243508      1.220075      8.627803
  H      -4.595947      2.861541      8.480136
  H      -3.217725      0.192235      7.873141
  H      -2.715733      1.389181      9.096586
  C      -3.367209     -0.736912      4.120701
  C      -2.579279     -1.061998      2.843555
  C      -2.784365     -0.037941      1.744540
  O      -4.148885     -0.223306      1.266550
  C      -4.565541      0.293253      0.087929
  C      -5.599171     -0.383467     -0.549367
  C      -6.086971      0.080910     -1.783393
  N      -5.646435      1.163350     -2.410360
  C      -4.677632      1.879288     -1.772905
  C      -4.242834      3.095577     -2.356874
  C      -3.322435      3.875100     -1.696037
  C      -2.824065      3.427765     -0.450835
  N      -3.178317      2.291135      0.124701
  C      -4.093078      1.508685     -0.512722
  C      -3.662321      5.150201      5.451820
  C      -4.758357      5.332042      4.408655
  C      -4.172019      5.545873      3.017813
  O      -5.044048      5.071951      1.969116
  C      -6.180651      5.740002      1.668994
  C      -6.535437      7.003049      2.107935
  C      -7.740663      7.570087      1.632012
  N      -8.565697      7.003019      0.765848
  C      -8.224578      5.754972      0.327180
  C      -9.045491      5.094519     -0.619964
  C      -8.723488      3.813864     -1.011231
  C      -7.602505      3.180711     -0.431306
  N      -6.789120      3.767421      0.434370
  C      -7.070467      5.050099      0.785487
  C      -6.474570      1.877861      6.467597
  C      -7.164919      3.190211      6.887214
  C      -8.405325      3.442313      6.054473
  O      -7.958941      3.708132      4.699714
  C      -8.919696      3.573566      3.736866
  C      -9.757285      4.619494      3.409785
  C     -10.698075      4.451607      2.368828
  N     -10.839850      3.343697      1.659220
  C     -10.001504      2.308495      1.952250
  C     -10.060296      1.129708      1.167608
  C      -9.190617      0.096436      1.438589
  C      -8.285660      0.231949      2.516839
  N      -8.188237      1.312507      3.278243
  C      -9.019404      2.355542      2.995821
  H      -3.424702     -1.636677      4.759946
  H      -4.398439     -0.478741      3.847778
  H      -1.503015     -1.130048      3.065897
  H      -2.888483     -2.052565      2.474034
  H      -2.093928     -0.199455      0.904145
  H      -2.654891      0.989382      2.104122
  H      -6.013608     -1.284526     -0.094408
  H      -6.885982     -0.476086     -2.283153
  H      -4.676168      3.385984     -3.315155
  H      -2.979426      4.823839     -2.110457
  H      -2.097435      4.039427      0.093711
  H      -2.958980      5.999374      5.366877
  H      -4.121639      5.233765      6.456337
  H      -5.379997      6.186721      4.712654
  H      -5.426460      4.460143      4.391224
  H      -3.270602      4.931088      2.893722
  H      -3.906305      6.598470      2.831861
  H      -5.910032      7.571825      2.794513
  H      -8.023824      8.565598      1.988861
  H      -9.923966      5.617569     -1.000338
  H      -9.331154      3.268584     -1.734058
  H      -7.371678      2.146218     -0.691459
  H      -6.897196      1.035849      7.047263
  H      -6.692716      1.694293      5.408045
  H      -6.468126      4.031029      6.739515
  H      -7.444281      3.182132      7.951729
  H      -8.975524      4.310060      6.425500
  H      -9.070684      2.562062      6.049587
  H      -9.675677      5.570788      3.937128
  H     -11.346302      5.290972      2.099679
  H     -10.788191      1.084197      0.355973
  H      -9.180496     -0.816075      0.840560
  H      -7.605959     -0.592733      2.758444
  N      -4.706979      2.211196      3.772750
  N      -5.269231      2.297939      2.624889
  H      -5.852331      1.519707      2.314413
  H      -5.363424      3.195463      2.120874
102
Coordinates from ORCA-job orca E -6484.756923243272
  N      -2.773175      0.351438      4.918141
  Mo     -3.692285      2.067432      5.243487
  N      -5.029083      1.894901      6.643811
  C      -4.572487      1.859460      8.037430
  C      -3.169148      1.272735      8.114979
  N      -2.304820      1.884235      7.070591
  C      -1.187909      0.991210      6.671425
  C      -1.718855     -0.135822      5.806139
  C      -1.806152      3.231162      7.437760
  C      -1.619767      3.987691      6.132281
  N      -2.865432      3.896244      5.362251
  H      -0.883191     -0.561801      5.223021
  H      -2.112046     -0.964705      6.427221
  H      -0.472575      1.596767      6.099546
  H      -0.663830      0.599560      7.559926
  H      -1.356939      5.038292      6.330546
  H      -0.782856      3.560438      5.556312
  H      -2.575153      3.729966      8.043266
  H      -0.884327      3.154639      8.040144
  H      -5.251788      1.232126      8.640620
  H      -4.602708      2.871962      8.481266
  H      -3.224648      0.196198      7.904748
  H      -2.724943      1.406178      9.115774
  C      -3.335604     -0.736522      4.104018
  C      -2.529888     -1.021878      2.828566
  C      -2.762011      0.009120      1.741436
  O      -4.118752     -0.211664      1.258326
  C      -4.553902      0.308130      0.088328
  C      -5.588723     -0.376432     -0.539180
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  O      -7.964016      3.682122      4.678906
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  C      -9.756783      4.599280      3.384864
  C     -10.699574      4.432559      2.345611
  N     -10.851833      3.321133      1.643843
  C     -10.023152      2.280362      1.944259
  C     -10.091297      1.097621      1.166323
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  H      -3.868009      6.561133      2.814536
  H      -5.850200      7.575358      2.767362
  H      -7.944801      8.600920      1.951916
  H      -9.908234      5.654908     -0.998893
  H      -9.358895      3.288916     -1.709565
  H      -7.410249      2.145516     -0.667851
  H      -6.904362      1.044230      7.063857
  H      -6.693408      1.677583      5.415719
  H      -6.465193      4.032905      6.704557
  H      -7.437291      3.208811      7.937118
  H      -8.972699      4.313717      6.398911
  H      -9.074952      2.560532      6.050020
  H      -9.665825      5.554307      3.903814
  H     -11.339750      5.276232      2.070578
  H     -10.818425      1.053961      0.353897
  H      -9.228193     -0.857544      0.851313
  H      -7.656116     -0.637828      2.772041
  N      -4.712876      2.199237      3.786097
  N      -5.299711      2.273357      2.649598
  H      -5.870577      1.482098      2.350759
  H      -5.410248      3.165575      2.139500
102
Coordinates from ORCA-job orca E -6484.757646621397
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  N      -5.031379      1.890829      6.649150
  C      -4.578353      1.867815      8.044328
  C      -3.176038      1.279628      8.131763
  N      -2.307773      1.879443      7.083891
  C      -1.194917      0.978912      6.689831
  C      -1.732919     -0.149671      5.832438
  C      -1.803410      3.226250      7.443182
  C      -1.613102      3.973824      6.133250
  N      -2.860428      3.884747      5.365272
  H      -0.898595     -0.597365      5.263670
  H      -2.147787     -0.964440      6.458155
  H      -0.480109      1.577835      6.110232
  H      -0.669273      0.591764      7.579346
  H      -1.343401      5.023962      6.324446
  H      -0.779556      3.537696      5.559025
  H      -2.571162      3.731870      8.044688
  H      -0.882587      3.149700      8.047110
  H      -5.260314      1.247114      8.651381
  H      -4.607845      2.884411      8.478776
  H      -3.232207      0.200794      7.933859
  H      -2.735101      1.423734      9.132488
  C      -3.309754     -0.736930      4.090193
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  C      -2.737905      0.046314      1.739652
  O      -4.087792     -0.199991      1.251433
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  C      -6.093991      0.093611     -1.751985
  N      -5.686178      1.187380     -2.381571
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  N     -10.870913      3.296766      1.638655
  C     -10.046727      2.252770      1.940170
  C     -10.127299      1.066256      1.169435
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  C      -8.361774      0.156024      2.521921
  N      -8.243209      1.244002      3.269860
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  H      -3.352276     -1.659595      4.696174
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  H      -2.922214      5.976593      5.348410
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  H      -5.330146      6.192995      4.684055
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  H      -3.259080      4.840314      2.888716
  H      -3.836486      6.527498      2.798950
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  H      -9.896371      5.691052     -0.997546
  H      -9.392214      3.307472     -1.681497
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  H      -6.693503      1.664944      5.419695
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  H      -7.428775      3.239124      7.918103
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  H      -9.657134      5.535968      3.877472
  H     -11.344122      5.257427      2.057109
  H     -10.859794      1.022740      0.361804
  H      -9.280710     -0.896603      0.861112
  H      -7.695341     -0.676849      2.771537
  N      -4.718323      2.188177      3.798426
  N      -5.329668      2.253062      2.674299
  H      -5.886893      1.449012      2.382569
  H      -5.454173      3.140590      2.159146
102
Coordinates from ORCA-job orca E -6484.758251077946
  N      -2.758233      0.342412      4.933844
  Mo     -3.686729      2.053263      5.257467
  N      -5.030390      1.887092      6.652667
  C      -4.581225      1.877838      8.049297
  C      -3.179596      1.289427      8.147386
  N      -2.306931      1.878128      7.096869
  C      -1.197749      0.970378      6.708738
  C      -1.741188     -0.159223      5.857265
  C      -1.796706      3.224396      7.448997
  C      -1.603579      3.964003      6.135210
  N      -2.852684      3.877103      5.369857
  H      -0.907933     -0.625016      5.301647
  H      -2.175567     -0.961477      6.485823
  H      -0.482663      1.563154      6.123101
  H      -0.671848      0.587116      7.599718
  H      -1.327855      5.013686      6.320070
  H      -0.773439      3.520098      5.562061
  H      -2.562321      3.736483      8.047780
  H      -0.876201      3.147228      8.053300
  H      -5.265442      1.263771      8.660542
  H      -4.610548      2.898752      8.473492
  H      -3.235491      0.208414      7.961734
  H      -2.742805      1.444506      9.148248
  C      -3.280969     -0.733765      4.078511
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  C      -2.715664      0.081650      1.738030
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  C      -6.109746      0.106276     -1.721722
  N      -5.719857      1.206616     -2.351458
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  C      -4.357556      3.167882     -2.331327
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  C      -3.619852      5.133572      5.442639
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  H      -5.402566      4.463015      4.401404
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  H      -3.797349      6.497743      2.786983
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  H      -9.872017      5.740928     -0.998008
  H      -9.417674      3.341129     -1.654804
  H      -7.501937      2.149223     -0.602203
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  H     -10.909678      0.977002      0.361666
  H      -9.350472     -0.955321      0.871644
  H      -7.753333     -0.735551      2.772447
  N      -4.719480      2.180342      3.808322
  N      -5.355978      2.238862      2.697986
  H      -5.908404      1.428719      2.416013
  H      -5.489789      3.122537      2.178504
102
Coordinates from ORCA-job orca E -6484.758751807007
  N      -2.754505      0.335212      4.942442
  Mo     -3.684245      2.045290      5.263277
  N      -5.032765      1.884938      6.654792
  C      -4.587411      1.889048      8.052695
  C      -3.187889      1.297156      8.161644
  N      -2.309148      1.873558      7.109186
  C      -1.204724      0.957137      6.727606
  C      -1.753377     -0.172659      5.880526
  C      -1.791519      3.218843      7.453996
  C      -1.595361      3.950459      6.136098
  N      -2.846377      3.866877      5.373171
  H      -0.920941     -0.653482      5.336663
  H      -2.205104     -0.964108      6.510401
  H      -0.487381      1.542977      6.137593
  H      -0.680469      0.576818      7.620786
  H      -1.312963      4.999465      6.314730
  H      -0.768764      3.498379      5.564159
  H      -2.553885      3.738001      8.050912
  H      -0.870933      3.139792      8.057963
  H      -5.275531      1.284131      8.668695
  H      -4.613452      2.914597      8.465838
  H      -3.245360      0.214251      7.987813
  H      -2.755452      1.462098      9.162832
  C      -3.261118     -0.734591      4.069782
  C      -2.412961     -0.933202      2.805011
  C      -2.692904      0.107834      1.738004
  O      -4.033601     -0.175309      1.247747
  C      -4.516045      0.354914      0.102192
  C      -5.551083     -0.349486     -0.503498
  C      -6.108490      0.114717     -1.706604
  N      -5.734803      1.221940     -2.333889
  C      -4.761423      1.959046     -1.729126
  C      -4.385584      3.191546     -2.319845
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  C      -7.507173      7.682746      1.532950
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  C      -8.398688      3.427443      5.958732
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  H      -2.885448      5.959407      5.338860
  H      -4.065001      5.241106      6.442088
  H      -5.281705      6.200245      4.658877
  H      -5.394129      4.462491      4.403952
  H      -3.243159      4.769525      2.883997
  H      -3.769145      6.471469      2.775640
  H      -5.674728      7.595408      2.687649
  H      -7.709838      8.712095      1.846115
  H      -9.866835      5.782515     -0.985928
  H      -9.461961      3.366408     -1.613655
  H      -7.562849      2.151743     -0.556732
  H      -6.923994      1.079253      7.095283
  H      -6.688181      1.630552      5.421978
  H      -6.447571      4.041184      6.570423
  H      -7.414803      3.302690      7.860640
  H      -8.956104      4.325203      6.273989
  H      -9.073206      2.556230      6.021154
  H      -9.642029      5.481188      3.801285
  H     -11.359361      5.197057      2.012203
  H     -10.959250      0.931076      0.377445
  H      -9.403606     -1.003454      0.883897
  H      -7.773322     -0.772012      2.755770
  N      -4.720638      2.170996      3.818219
  N      -5.378847      2.227646      2.720850
  H      -5.922012      1.409506      2.441435
  H      -5.522821      3.109191      2.200774
102
Coordinates from ORCA-job orca E -6484.759183852574
  N      -2.747756      0.329992      4.950258
  Mo     -3.680724      2.037807      5.267244
  N      -5.033781      1.881117      6.656361
  C      -4.591817      1.898753      8.055188
  C      -3.193836      1.305305      8.173877
  N      -2.310519      1.871446      7.119677
  C      -1.209378      0.947970      6.745504
  C      -1.760365     -0.182203      5.901055
  C      -1.786974      3.215978      7.457731
  C      -1.587930      3.939755      6.135992
  N      -2.840169      3.857906      5.374903
  H      -0.927489     -0.674057      5.367984
  H      -2.226595     -0.964955      6.531030
  H      -0.488727      1.527921      6.153649
  H      -0.688558      0.569901      7.641602
  H      -1.300470      4.988385      6.308672
  H      -0.764156      3.480560      5.565696
  H      -2.546596      3.741699      8.052412
  H      -0.866433      3.135695      8.061583
  H      -5.282714      1.302102      8.676103
  H      -4.615539      2.928703      8.457431
  H      -3.252001      0.220811      8.010403
  H      -2.765119      1.479238      9.175144
  C      -3.237280     -0.734014      4.061245
  C      -2.379175     -0.904803      2.798978
  C      -2.672801      0.140757      1.740127
  O      -4.010675     -0.155489      1.251293
  C      -4.507607      0.377308      0.113486
  C      -5.544353     -0.331805     -0.483932
  C      -6.120524      0.134884     -1.676900
  N      -5.763505      1.248801     -2.302153
  C      -4.785427      1.987838     -1.707378
  C      -4.422017      3.223845     -2.298598
  C      -3.483378      4.020853     -1.685953
  C      -2.899482      3.574299     -0.478253
  N      -3.187226      2.421747      0.103025
  C      -4.114244      1.619082     -0.489823
  C      -3.594610      5.122366      5.435025
  C      -4.678149      5.303958      4.381694
  C      -4.081369      5.420797      2.984950
  O      -4.999976      4.978579      1.966307
  C      -6.061656      5.742247      1.629802
  C      -6.289139      7.055590      2.001372
  C      -7.439865      7.708823      1.501224
  N      -8.327131      7.176483      0.675648
  C      -8.111393      5.879465      0.303839
  C      -9.007008      5.245913     -0.591773
  C      -8.812225      3.920493     -0.911701
  C      -7.739505      3.219800     -0.317055
  N      -6.857682      3.777603      0.500352
  C      -7.019671      5.096891      0.785808
  C      -6.480146      1.873875      6.468939
  C      -7.148799      3.228919      6.769031
  C      -8.400183      3.419596      5.934782
  O      -7.968712      3.554235      4.556109
  C      -8.957885      3.420682      3.622773
  C      -9.771248      4.482191      3.283172
  C     -10.748175      4.311282      2.276690
  N     -10.947954      3.185482      1.611108
  C     -10.133677      2.134399      1.914714
  C     -10.259874      0.931515      1.176455
  C      -9.418765     -0.122201      1.457627
  C      -8.470095      0.020871      2.496526
  N      -8.309289      1.123504      3.214652
  C      -9.117196      2.183258      2.925658
  H      -3.259884     -1.682794      4.626050
  H      -4.272079     -0.519472      3.765171
  H      -1.310592     -0.849866      3.059938
  H      -2.553917     -1.905831      2.374465
  H      -1.965211      0.082360      0.901082
  H      -2.644164      1.160743      2.142351
  H      -5.885502     -1.263639     -0.030615
  H      -6.918893     -0.449463     -2.145704
  H      -4.920105      3.513263     -3.225214
  H      -3.190021      4.981538     -2.111204
  H      -2.159254      4.200315      0.030540
  H      -2.869141      5.950346      5.331993
  H      -4.054681      5.242183      6.435470
  H      -5.259162      6.201319      4.639693
  H      -5.383459      4.461462      4.400487
  H      -3.231439      4.733255      2.880468
  H      -3.732669      6.441564      2.761583
  H      -5.608667      7.598956      2.655335
  H      -7.622344      8.745216      1.803366
  H      -9.840717      5.825453     -0.991100
  H      -9.485930      3.395442     -1.589180
  H      -7.606409      2.155547     -0.523138
  H      -6.929051      1.089254      7.105970
  H      -6.687668      1.610903      5.424328
  H      -6.444460      4.039722      6.524123
  H      -7.406895      3.329579      7.834021
  H      -8.953957      4.324664      6.235173
  H      -9.076472      2.551340      6.017158
  H      -9.646102      5.448203      3.774325
  H     -11.379385      5.161824      2.001278
  H     -11.017533      0.882289      0.392682
  H      -9.468465     -1.057166      0.898086
  H      -7.810313     -0.817441      2.744443
  N      -4.719909      2.160665      3.823447
  N      -5.397823      2.216255      2.738278
  H      -5.948379      1.399313      2.470462
  H      -5.544642      3.095654      2.215399
102
Coordinates from ORCA-job orca E -6484.759746244267
  N      -2.719362      0.330500      4.968312
  Mo     -3.657233      2.034468      5.273646
  N      -5.026384      1.887608      6.650465
  C      -4.602705      1.922086      8.053777
  C      -3.211084      1.318106      8.197236
  N      -2.311617      1.865130      7.147388
  C      -1.212660      0.930425      6.792403
  C      -1.763143     -0.194051      5.944646
  C      -1.779681      3.207101      7.478812
  C      -1.558548      3.918739      6.151437
  N      -2.806334      3.848108      5.378299
  H      -0.928007     -0.704252      5.435424
  H      -2.260685     -0.961783      6.568583
  H      -0.481059      1.500727      6.205109
  H      -0.705546      0.551938      7.695803
  H      -1.260303      4.964603      6.317149
  H      -0.733886      3.444138      5.592754
  H      -2.542124      3.746096      8.060757
  H      -0.865525      3.122164      8.094221
  H      -5.305994      1.340193      8.674508
  H      -4.622343      2.957291      8.441022
  H      -3.274953      0.232372      8.048373
  H      -2.794205      1.502417      9.200901
  C      -3.177643     -0.720110      4.050921
  C      -2.297169     -0.842442      2.796359
  C      -2.606097      0.214636      1.752627
  O      -3.931049     -0.102464      1.261141
  C      -4.458278      0.439689      0.140929
  C      -5.504049     -0.277439     -0.437005
  C      -6.129089      0.197390     -1.604427
  N      -5.809977      1.325505     -2.224329
  C      -4.813808      2.065292     -1.653698
  C      -4.478262      3.306919     -2.246088
  C      -3.515804      4.101107     -1.660625
  C      -2.881999      3.647949     -0.477183
  N      -3.145153      2.491695      0.105354
  C      -4.093847      1.690124     -0.462019
  C      -3.545346      5.124725      5.419041
  C      -4.619404      5.306581      4.356588
  C      -4.012097      5.367270      2.954790
  O      -4.952619      4.929170      1.954188
  C      -5.982287      5.737068      1.601693
  C      -6.139677      7.080237      1.932681
  C      -7.266004      7.776916      1.426978
  N      -8.195357      7.255519      0.636455
  C      -8.052567      5.927912      0.308551
  C      -9.004891      5.299790     -0.539664
  C      -8.878693      3.950531     -0.823760
  C      -7.819342      3.220749     -0.236976
  N      -6.891740      3.766629      0.543766
  C      -6.986259      5.107161      0.792922
  C      -6.470159      1.878583      6.441623
  C      -7.140191      3.245927      6.682526
  C      -8.397215      3.397871      5.842005
  O      -7.982574      3.470617      4.447313
  C      -9.001474      3.335209      3.542094
  C      -9.815654      4.400616      3.222985
  C     -10.837000      4.225308      2.258797
  N     -11.078848      3.091576      1.615090
  C     -10.264587      2.036584      1.897774
  C     -10.446319      0.820463      1.189005
  C      -9.611559     -0.243110      1.451586
  C      -8.608450     -0.093214      2.436688
  N      -8.395826      1.021778      3.127646
  C      -9.202808      2.088847      2.863060
  H      -3.191450     -1.683078      4.591637
  H      -4.211050     -0.516103      3.743497
  H      -1.236348     -0.758423      3.073130
  H      -2.435855     -1.839184      2.350507
  H      -1.896113      0.185705      0.912760
  H      -2.599323      1.226623      2.172443
  H      -5.813021     -1.222207      0.012888
  H      -6.935664     -0.392313     -2.055876
  H      -5.013579      3.601070     -3.152772
  H      -3.240754      5.064286     -2.089003
  H      -2.120497      4.270644      0.009413
  H      -2.806822      5.942488      5.307382
  H      -4.010586      5.265019      6.416912
  H      -5.178598      6.229725      4.588807
  H      -5.348330      4.478693      4.395961
  H      -3.184926      4.644191      2.864997
  H      -3.624034      6.373990      2.704477
  H      -5.422213      7.614672      2.558759
  H      -7.391973      8.837847      1.695484
  H      -9.826066      5.903351     -0.932699
  H      -9.596674      3.431387     -1.466864
  H      -7.735915      2.142138     -0.417836
  H      -6.929110      1.116622      7.099389
  H      -6.664818      1.579880      5.402253
  H      -6.437500      4.048146      6.399217
  H      -7.393573      3.392282      7.745790
  H      -8.948095      4.317037      6.107957
  H      -9.073798      2.530091      5.968478
  H      -9.660432      5.371274      3.701916
  H     -11.475417      5.075117      2.004991
  H     -11.242885      0.767007      0.444783
  H      -9.711022     -1.191472      0.918692
  H      -7.949305     -0.937619      2.664231
  N      -4.709136      2.129348      3.834924
  N      -5.447957      2.151385      2.786557
  H      -5.997428      1.324291      2.565248
  H      -5.627201      3.009507      2.242546
102
Coordinates from ORCA-job orca E -6484.759206254441
  N      -2.664421      0.362702      4.971266
  Mo     -3.610244      2.063411      5.270166
  N      -5.006556      1.903613      6.618756
  C      -4.612672      1.930551      8.026053
  C      -3.229543      1.314613      8.196159
  N      -2.306659      1.858799      7.171827
  C      -1.200952      0.928495      6.834119
  C      -1.736079     -0.173638      5.961052
  C      -1.774336      3.194787      7.515514
  C      -1.525943      3.914701      6.196615
  N      -2.762176      3.866118      5.395944
  H      -0.897843     -0.680483      5.471759
  H      -2.254852     -0.937197      6.559461
  H      -0.456050      1.501880      6.271160
  H      -0.714581      0.537845      7.742521
  H      -1.222814      4.951637      6.374195
  H      -0.693690      3.439280      5.652969
  H      -2.543377      3.733680      8.087423
  H      -0.868260      3.101339      8.146022
  H      -5.332716      1.354530      8.628608
  H      -4.631709      2.961284      8.414800
  H      -3.296378      0.233256      8.042800
  H      -2.833843      1.492121      9.206605
  C      -3.084608     -0.684473      4.043436
  C      -2.175125     -0.781827      2.818923
  C      -2.504735      0.255398      1.774655
  O      -3.826805     -0.126690      1.270692
  C      -4.387256      0.386692      0.163164
  C      -5.394698     -0.390819     -0.381839
  C      -6.066854      0.051522     -1.526516
  N      -5.830738      1.205741     -2.150716
  C      -4.860684      1.996433     -1.617292
  C      -4.598224      3.257098     -2.220876
  C      -3.661473      4.099227     -1.672443
  C      -2.977584      3.674332     -0.516972
  N      -3.171013      2.502093      0.074384
  C      -4.095570      1.655001     -0.454947
  C      -3.493999      5.139005      5.435894
  C      -4.569795      5.315961      4.374017
  C      -3.981631      5.365115      2.969845
  O      -4.935118      4.929930      1.983505
  C      -5.956003      5.735068      1.641969
  C      -6.091006      7.070200      1.970700
  C      -7.204249      7.780382      1.467551
  N      -8.142377      7.279261      0.682179
  C      -8.026704      5.956449      0.362592
  C      -8.996535      5.349677     -0.473536
  C      -8.885857      4.015390     -0.770541
  C      -7.834406      3.268270     -0.193810
  N      -6.904991      3.787521      0.592487
  C      -6.974056      5.121767      0.842344
  C      -6.446305      1.888721      6.373671
  C      -7.129278      3.243625      6.577481
  C      -8.380602      3.379428      5.729566
  O      -7.970231      3.419711      4.338354
  C      -9.014925      3.318136      3.452771
  C      -9.821462      4.401015      3.180360
  C     -10.890346      4.255970      2.259791
  N     -11.187141      3.133639      1.617621
  C     -10.382386      2.062142      1.852788
  C     -10.642713      0.848883      1.159412
  C      -9.825822     -0.239663      1.373636
  C      -8.753739     -0.110333      2.285004
  N      -8.471075      0.998519      2.967941
  C      -9.268785      2.084916      2.762394
  H      -3.083205     -1.642467      4.574139
  H      -4.119912     -0.505843      3.713894
  H      -1.121459     -0.658293      3.124627
  H      -2.271828     -1.780598      2.365925
  H      -1.776188      0.244380      0.947913
  H      -2.538117      1.277260      2.196399
  H      -5.632627     -1.358474      0.077521
  H      -6.837779     -0.589131     -1.955068
  H      -5.167246      3.526820     -3.105623
  H      -3.443682      5.078638     -2.109412
  H      -2.235975      4.334972     -0.059524
  H      -2.755168      5.951590      5.328721
  H      -3.956873      5.279132      6.430409
  H      -5.121856      6.235675      4.603356
  H      -5.300664      4.496157      4.416424
  H      -3.164015      4.646655      2.874847
  H      -3.596389      6.358424      2.712472
  H      -5.363846      7.592136      2.590253
  H      -7.311286      8.834892      1.733072
  H      -9.814988      5.961213     -0.852680
  H      -9.612742      3.521584     -1.413730
  H      -7.757620      2.199038     -0.388460
  H      -6.915585      1.137156      7.024533
  H      -6.618051      1.580108      5.340210
  H      -6.429244      4.034240      6.293126
  H      -7.394605      3.405724      7.623717
  H      -8.932263      4.298109      5.974921
  H      -9.057627      2.521237      5.870116
  H      -9.628073      5.358380      3.669424
  H     -11.531513      5.114429      2.049692
  H     -11.486724      0.814844      0.467488
  H      -9.995249     -1.189853      0.857518
  H      -8.097693     -0.969842      2.457848
  N      -4.687414      2.103218      3.844498
  N      -5.481522      2.108500      2.838846
  H      -6.029986      1.274379      2.639075
  H      -5.690408      2.966556      2.297486
102
Coordinates from ORCA-job orca E -6484.758790624461
  N      -2.694253      0.329273      4.971192
  Mo     -3.628019      2.038470      5.253225
  N      -5.018921      1.908321      6.618266
  C      -4.618905      1.962468      8.028526
  C      -3.244099      1.331240      8.204299
  N      -2.321931      1.846272      7.157872
  C      -1.229324      0.893655      6.832956
  C      -1.781829     -0.221748      5.980568
  C      -1.771043      3.190942      7.474638
  C      -1.525711      3.895244      6.140855
  N      -2.767860      3.844312      5.355881
  H      -0.941064     -0.765990      5.500631
  H      -2.327558     -0.970182      6.598589
  H      -0.476142      1.448206      6.255771
  H      -0.748003      0.513295      7.750840
  H      -1.210756      4.938977      6.302621
  H      -0.705196      3.403957      5.590351
  H      -2.527535      3.749143      8.046873
  H      -0.863566      3.097652      8.096520
  H      -5.344241      1.407038      8.651702
  H      -4.622026      3.007577      8.395375
  H      -3.325586      0.242129      8.075475
  H      -2.839863      1.528340      9.212030
  C      -3.109663     -0.711101      4.010611
  C      -2.194194     -0.777844      2.771360
  C      -2.516446      0.281047      1.737972
  O      -3.820319     -0.051138      1.246968
  C      -4.373037      0.504625      0.150403
  C      -5.438324     -0.198730     -0.416498
  C      -6.090765      0.294755     -1.552997
  N      -5.780646      1.427005     -2.152555
  C      -4.760218      2.146336     -1.596466
  C      -4.424547      3.385812     -2.172389
  C      -3.433359      4.153292     -1.602890
  C      -2.769397      3.676832     -0.452162
  N      -3.033560      2.523786      0.115225
  C      -4.010866      1.750426     -0.437239
  C      -3.499316      5.119987      5.389172
  C      -4.589976      5.273111      4.336747
  C      -4.026239      5.314553      2.922300
  O      -4.986320      4.863401      1.949144
  C      -6.013957      5.648958      1.603872
  C      -6.167767      6.978872      1.915816
  C      -7.286794      7.663546      1.407019
  N      -8.214272      7.144672      0.629428
  C      -8.079048      5.828450      0.325518
  C      -9.034827      5.205396     -0.504145
  C      -8.911437      3.872111     -0.778380
  C      -7.856446      3.147708     -0.192331
  N      -6.932263      3.687184      0.579340
  C      -7.019551      5.017275      0.813017
  C      -6.461343      1.913733      6.396010
  C      -7.107401      3.293952      6.596041
  C      -8.369556      3.435373      5.772412
  O      -7.969739      3.455084      4.377051
  C      -9.018973      3.345380      3.504145
  C      -9.832778      4.423591      3.224993
  C     -10.895767      4.272722      2.303631
  N     -11.180429      3.149210      1.668990
  C     -10.371577      2.079992      1.915624
  C     -10.623799      0.862888      1.234015
  C      -9.803940     -0.221078      1.461232
  C      -8.731500     -0.082164      2.371329
  N      -8.455870      1.030255      3.042399
  C      -9.261106      2.109866      2.825410
  H      -3.115854     -1.692477      4.523236
  H      -4.138331     -0.525919      3.680106
  H      -1.148634     -0.661168      3.076240
  H      -2.287869     -1.766135      2.300681
  H      -1.816455      0.276444      0.900823
  H      -2.526285      1.275509      2.166801
  H      -5.736042     -1.146005      0.019222
  H      -6.912299     -0.283967     -1.995341
  H      -4.983055      3.699775     -3.054230
  H      -3.156382      5.113567     -2.019034
  H      -1.985258      4.278056      0.020565
  H      -2.766091      5.937394      5.262091
  H      -3.950279      5.269052      6.390747
  H      -5.147447      6.187504      4.562973
  H      -5.307958      4.446600      4.395751
  H      -3.205830      4.604416      2.820543
  H      -3.653118      6.306756      2.654357
  H      -5.451724      7.515274      2.527652
  H      -7.408185      8.712664      1.659979
  H      -9.854975      5.802522     -0.894122
  H      -9.630188      3.362673     -1.411132
  H      -7.771944      2.079049     -0.366080
  H      -6.939553      1.177140      7.069579
  H      -6.653741      1.591128      5.367650
  H      -6.390662      4.071329      6.279457
  H      -7.352400      3.484466      7.653436
  H      -8.905494      4.364658      6.017921
  H      -9.055305      2.585223      5.931501
  H      -9.646885      5.382012      3.707853
  H     -11.540386      5.129433      2.083628
  H     -11.465679      0.821571      0.540794
  H      -9.969500     -1.174119      0.955235
  H      -8.070806     -0.936877      2.553607
  N      -4.704764      2.055371      3.834107
  N      -5.517789      2.039436      2.839912
  H      -6.058376      1.187772      2.654438
  H      -5.735710      2.884852      2.284266
102
Coordinates from ORCA-job orca E -6484.756051893316
  N      -2.701368      0.337696      4.981117
  Mo     -3.645838      2.046556      5.281817
  N      -5.037001      1.894288      6.646470
  C      -4.635717      1.941389      8.058905
  C      -3.257539      1.320050      8.230554
  N      -2.340491      1.848366      7.186992
  C      -1.241455      0.906922      6.858390
  C      -1.780310     -0.209584      5.992237
  C      -1.798001      3.195166      7.514588
  C      -1.555299      3.905847      6.188822
  N      -2.791692      3.851192      5.400657
  H      -0.928833     -0.741071      5.507340
  H      -2.316479     -0.971335      6.605106
  H      -0.489194      1.473988      6.291639
  H      -0.761389      0.523809      7.776328
  H      -1.245282      4.953504      6.356556
  H      -0.732612      3.421784      5.636336
  H      -2.555922      3.743660      8.089593
  H      -0.891340      3.105127      8.133860
  H      -5.356753      1.376134      8.678434
  H      -4.646359      2.985357      8.434064
  H      -3.332152      0.229975      8.092275
  H      -2.852057      1.512304      9.241202
  C      -3.111514     -0.720289      4.002221
  C      -2.176521     -0.781088      2.747676
  C      -2.541569      0.281708      1.708264
  O      -3.871558     -0.117280      1.229203
  C      -4.453551      0.421761      0.125326
  C      -5.494497     -0.309235     -0.441605
  C      -6.177783      0.181409     -1.585852
  N      -5.919558      1.337735     -2.192349
  C      -4.927466      2.086431     -1.635810
  C      -4.655529      3.359458     -2.217779
  C      -3.690683      4.157890     -1.648841
  C      -2.986965      3.675342     -0.494347
  N      -3.192986      2.492456      0.080479
  C      -4.146888      1.692248     -0.470538
  C      -3.521473      5.134312      5.421489
  C      -4.585293      5.300599      4.346536
  C      -3.972193      5.316036      2.948962
  O      -4.921946      4.880251      1.958256
  C      -5.920887      5.719049      1.576391
  C      -6.026324      7.080064      1.857901
  C      -7.120901      7.808049      1.323200
  N      -8.071591      7.299388      0.551498
  C      -7.982021      5.956486      0.276827
  C      -8.962195      5.342945     -0.542813
  C      -8.892618      3.976359     -0.781862
  C      -7.857069      3.221110     -0.180542
  N      -6.906294      3.754823      0.579439
  C      -6.948369      5.106325      0.787291
  C      -6.482300      1.878253      6.437095
  C      -7.153995      3.249691      6.657378
  C      -8.427705      3.376736      5.844643
  O      -8.020464      3.412316      4.454935
  C      -9.025537      3.290949      3.544915
  C      -9.839156      4.357705      3.214754
  C     -10.834563      4.202522      2.232662
  N     -11.054610      3.084696      1.584410
  C     -10.245422      2.024753      1.881989
  C     -10.418465      0.816330      1.177762
  C      -9.588791     -0.246965      1.453755
  C      -8.587434     -0.097354      2.440959
  N      -8.387923      1.006351      3.130604
  C      -9.200709      2.063969      2.860279
  H      -3.110975     -1.713790      4.515927
  H      -4.146770     -0.548255      3.678021
  H      -1.109006     -0.638630      3.038727
  H      -2.253490     -1.799889      2.284557
  H      -1.818848      0.290287      0.864175
  H      -2.590055      1.311940      2.129621
  H      -5.755987     -1.272060     -0.001417
  H      -6.985289     -0.417677     -2.028347
  H      -5.241794      3.674051     -3.103994
  H      -3.461478      5.145858     -2.068263
  H      -2.217589      4.299769     -0.025320
  H      -2.778520      5.947547      5.300822
  H      -3.993079      5.291247      6.414518
  H      -5.135616      6.235388      4.550122
  H      -5.322001      4.483244      4.396509
  H      -3.160690      4.568686      2.880432
  H      -3.558607      6.310067      2.676433
  H      -5.289043      7.605308      2.466863
  H      -7.201608      8.883628      1.550776
  H      -9.762696      5.970099     -0.949275
  H      -9.635595      3.468225     -1.401740
  H      -7.812951      2.132775     -0.331365
  H      -6.942448      1.128467      7.112757
  H      -6.678955      1.553262      5.405092
  H      -6.455540      4.047789      6.341941
  H      -7.389764      3.426241      7.723956
  H      -8.977338      4.299881      6.096237
  H      -9.098198      2.514397      5.998427
  H      -9.695062      5.315722      3.697340
  H     -11.466638      5.058095      1.961948
  H     -11.206076      0.766959      0.425513
  H      -9.689951     -1.192806      0.929535
  H      -7.920350     -0.932602      2.669330
  N      -4.697091      2.097130      3.846787
  N      -5.483154      2.090019      2.835474
  H      -6.030174      1.244585      2.634104
  H      -5.683188      2.942332      2.285141
102
Coordinates from ORCA-job orca E -6484.757723892715
  N      -2.700561      0.355008      4.965820
  Mo     -3.635764      2.062872      5.269791
  N      -5.020920      1.908246      6.637053
  C      -4.614844      1.954914      8.045788
  C      -3.236565      1.332417      8.208932
  N      -2.320909      1.857363      7.164236
  C      -1.230956      0.911182      6.822632
  C      -1.788177     -0.198918      5.957581
  C      -1.766861      3.195028      7.492744
  C      -1.523095      3.903360      6.175119
  N      -2.761048      3.857839      5.392478
  H      -0.961764     -0.729740      5.467653
  H      -2.322028     -0.952891      6.562023
  H      -0.481632      1.475935      6.251887
  H      -0.745235      0.522272      7.732009
  H      -1.203824      4.943735      6.346667
  H      -0.707560      3.417957      5.621363
  H      -2.517646      3.743284      8.070007
  H      -0.859501      3.099714      8.107111
  H      -5.334252      1.390188      8.664056
  H      -4.621538      2.994321      8.422636
  H      -3.316606      0.246598      8.067538
  H      -2.825455      1.519204      9.215142
  C      -3.117072     -0.679114      4.032046
  C      -2.229439     -0.767438      2.810141
  C      -2.573835      0.265495      1.761501
  O      -3.889258     -0.099212      1.262350
  C      -4.460289      0.438786      0.166719
  C      -5.474179     -0.322907     -0.387740
  C      -6.144941      0.137749     -1.520660
  N      -5.902145      1.294828     -2.127796
  C      -4.930942      2.073030     -1.588021
  C      -4.662934      3.336976     -2.177839
  C      -3.721252      4.166918     -1.626770
  C      -3.039247      3.728576     -0.483457
  N      -3.237893      2.552310      0.096714
  C      -4.167463      1.714535     -0.434925
  C      -3.470024      5.146487      5.427635
  C      -4.542461      5.328162      4.366450
  C      -3.932996      5.324135      2.968291
  O      -4.900749      4.900089      1.987147
  C      -5.885380      5.764072      1.608394
  C      -5.958026      7.131958      1.892970
  C      -7.040966      7.887682      1.360680
  N      -8.009684      7.398502      0.589174
  C      -7.952528      6.048406      0.310445
  C      -8.950679      5.452631     -0.509511
  C      -8.902608      4.083925     -0.759528
  C      -7.873743      3.306646     -0.166041
  N      -6.915024      3.820937      0.602425
  C      -6.931782      5.174136      0.817993
  C      -6.463193      1.882518      6.416585
  C      -7.151675      3.250056      6.602003
  C      -8.423859      3.346358      5.771808
  O      -8.023860      3.343926      4.369711
  C      -9.038316      3.207985      3.464491
  C      -9.844007      4.276774      3.128916
  C     -10.860698      4.105391      2.167540
  N     -11.109939      2.968488      1.542236
  C     -10.305226      1.909266      1.839807
  C     -10.504105      0.687460      1.157072
  C      -9.679979     -0.377693      1.434095
  C      -8.661833     -0.219496      2.400417
  N      -8.436201      0.899346      3.068365
  C      -9.241140      1.962795      2.798832
  H      -3.108329     -1.638389      4.558420
  H      -4.147214     -0.495438      3.713708
  H      -1.184397     -0.648738      3.113810
  H      -2.326103     -1.751461      2.368137
  H      -1.870911      0.252330      0.933561
  H      -2.594825      1.271341      2.174954
  H      -5.718393     -1.293355      0.053295
  H      -6.924697     -0.487801     -1.954992
  H      -5.229011      3.615941     -3.055147
  H      -3.497225      5.148030     -2.053353
  H      -2.288882      4.378416     -0.028370
  H      -2.712675      5.948023      5.301632
  H      -3.928525      5.310813      6.424850
  H      -5.075071      6.275168      4.574033
  H      -5.298187      4.522828      4.420962
  H      -3.135174      4.557878      2.903057
  H      -3.497943      6.309807      2.689118
  H      -5.203501      7.641345      2.501898
  H      -7.095670      8.970023      1.589518
  H      -9.743542      6.096161     -0.911493
  H      -9.656560      3.591905     -1.384273
  H      -7.837646      2.218524     -0.334452
  H      -6.923306      1.140038      7.096608
  H      -6.646963      1.540956      5.387306
  H      -6.463925      4.048827      6.275377
  H      -7.393444      3.443009      7.662037
  H      -8.979911      4.275598      5.997419
  H      -9.090310      2.479677      5.951184
  H      -9.679043      5.250751      3.593302
  H     -11.489138      4.959706      1.898494
  H     -11.305992      0.630514      0.421312
  H      -9.801617     -1.333565      0.927531
  H      -8.002079     -1.058612      2.630425
  N      -4.711482      2.122529      3.846100
  N      -5.521668      2.116305      2.858709
  H      -6.072927      1.279753      2.675407
  H      -5.737417      2.962504      2.308390
102
Coordinates from ORCA-job orca E -6484.758048622072
  N      -2.678189      0.343946      4.975555
  Mo     -3.613052      2.052429      5.263077
  N      -5.011850      1.912646      6.615361
  C      -4.623365      1.960122      8.026362
  C      -3.250355      1.326482      8.208629
  N      -2.321571      1.844344      7.174541
  C      -1.227841      0.895001      6.851043
  C      -1.773677     -0.207742      5.978982
  C      -1.770576      3.180339      7.505453
  C      -1.509366      3.887733      6.180771
  N      -2.744283      3.847183      5.380644
  H      -0.941425     -0.734536      5.499655
  H      -2.312121     -0.959406      6.576049
  H      -0.469427      1.455039      6.290755
  H      -0.755794      0.504090      7.767187
  H      -1.192925      4.923019      6.354616
  H      -0.683622      3.397124      5.638353
  H      -2.532825      3.736449      8.073098
  H      -0.866397      3.081323      8.137768
  H      -5.354214      1.405480      8.636778
  H      -4.626276      2.998679      8.398155
  H      -3.332927      0.242975      8.069404
  H      -2.851377      1.513163      9.217202
  C      -3.078627     -0.690651      4.019647
  C      -2.149180     -0.741356      2.795870
  C      -2.487782      0.319788      1.765326
  O      -3.795485     -0.056998      1.257222
  C      -4.362041      0.488335      0.164676
  C      -5.414607     -0.249420     -0.386218
  C      -6.096417      0.224268     -1.512201
  N      -5.823873      1.367150     -2.118723
  C      -4.812736      2.119773     -1.582541
  C      -4.515356      3.368182     -2.167965
  C      -3.530307      4.167252     -1.620879
  C      -2.836487      3.714385     -0.481882
  N      -3.067040      2.555595      0.094730
  C      -4.037262      1.748224     -0.434066
  C      -3.466263      5.128328      5.401025
  C      -4.544830      5.289273      4.337547
  C      -3.979943      5.317493      2.924749
  O      -4.954765      4.878549      1.958281
  C      -5.968629      5.680531      1.609103
  C      -6.095942      7.014892      1.905340
  C      -7.205972      7.710176      1.395814
  N      -8.149890      7.197665      0.631998
  C      -8.040401      5.877696      0.341553
  C      -9.011349      5.259406     -0.476186
  C      -8.909581      3.924070     -0.734547
  C      -7.860996      3.195447     -0.148818
  N      -6.924597      3.729631      0.611121
  C      -6.990464      5.058870      0.831904
  C      -6.448270      1.907808      6.368265
  C      -7.108294      3.279935      6.548023
  C      -8.357576      3.413806      5.705087
  O      -7.957862      3.414016      4.306280
  C      -9.022781      3.304721      3.446982
  C      -9.831146      4.394896      3.181776
  C     -10.919687      4.243215      2.285355
  N     -11.240639      3.103379      1.665566
  C     -10.435999      2.026252      1.893519
  C     -10.722398      0.804758      1.220778
  C      -9.907140     -0.286671      1.426129
  C      -8.805057     -0.157051      2.306561
  N      -8.492743      0.962637      2.966155
  C      -9.295531      2.056216      2.772878
  H      -3.076698     -1.666598      4.528307
  H      -4.109147     -0.513695      3.684513
  H      -1.102051     -0.599520      3.109721
  H      -2.215398     -1.740012      2.325444
  H      -1.754747      0.339237      0.930516
  H      -2.536090      1.333905      2.206668
  H      -5.684161     -1.207045      0.058144
  H      -6.911607     -0.377465     -1.938522
  H      -5.094745      3.663275     -3.039747
  H      -3.283329      5.134299     -2.046647
  H      -2.056300      4.339345     -0.026264
  H      -2.727859      5.937868      5.281057
  H      -3.927095      5.280875      6.393309
  H      -5.095745      6.210606      4.552640
  H      -5.268507      4.468441      4.399092
  H      -3.171434      4.593669      2.822751
  H      -3.593418      6.302281      2.653937
  H      -5.366019      7.546190      2.506345
  H      -7.305840      8.763404      1.634993
  H      -9.823127      5.862158     -0.869218
  H      -9.640435      3.415111     -1.355247
  H      -7.790214      2.126544     -0.312490
  H      -6.930592      1.173481      7.032193
  H      -6.621683      1.582694      5.338997
  H      -6.398993      4.054904      6.244548
  H      -7.366906      3.468973      7.592126
  H      -8.896400      4.346680      5.933929
  H      -9.043048      2.565161      5.871885
  H      -9.622866      5.367364      3.656009
  H     -11.556768      5.109875      2.075927
  H     -11.585996      0.769754      0.550650
  H     -10.099337     -1.240401      0.924696
  H      -8.148370     -1.022416      2.473187
  N      -4.695824      2.077772      3.847265
  N      -5.524962      2.059188      2.871525
  H      -6.080096      1.224549      2.711796
  H      -5.746806      2.891899      2.310694
102
Coordinates from ORCA-job orca E -6484.759709232795
  N      -2.697810      0.353267      4.968450
  Mo     -3.621603      2.072220      5.262580
  N      -5.021682      1.924101      6.619641
  C      -4.632363      1.964650      8.032747
  C      -3.261833      1.328570      8.212744
  N      -2.334484      1.850151      7.177585
  C      -1.242326      0.897619      6.857789
  C      -1.788350     -0.208199      5.986797
  C      -1.784612      3.189516      7.514156
  C      -1.522438      3.907112      6.190846
  N      -2.755932      3.869966      5.390414
  H      -0.936288     -0.750167      5.507010
  H      -2.338402     -0.965979      6.597487
  H      -0.476331      1.455020      6.300538
  H      -0.777586      0.505546      7.779627
  H      -1.206980      4.947610      6.369233
  H      -0.693990      3.418842      5.643674
  H      -2.548227      3.743670      8.084849
  H      -0.881388      3.087417      8.145574
  H      -5.364338      1.406678      8.643204
  H      -4.635695      3.005525      8.409139
  H      -3.345631      0.242172      8.069071
  H      -2.861097      1.511903      9.224278
  C      -3.125242     -0.692020      4.006260
  C      -2.206341     -0.789680      2.772336
  C      -2.524282      0.236727      1.714958
  O      -3.836615     -0.109804      1.225621
  C      -4.395002      0.426853      0.122210
  C      -5.430871     -0.302843     -0.448426
  C      -6.104645      0.189167     -1.589139
  N      -5.842306      1.346499     -2.187187
  C      -4.850023      2.091472     -1.627501
  C      -4.573230      3.364572     -2.198538
  C      -3.609172      4.158000     -1.625531
  C      -2.908905      3.668399     -0.478834
  N      -3.121902      2.487045      0.086307
  C      -4.075645      1.692718     -0.467315
  C      -3.482606      5.154791      5.406555
  C      -4.553258      5.320559      4.334783
  C      -3.969169      5.340599      2.926601
  O      -4.933103      4.901967      1.950094
  C      -5.941159      5.716784      1.587547
  C      -6.059465      7.063116      1.873613
  C      -7.167098      7.768471      1.358265
  N      -8.119702      7.252272      0.601379
  C      -8.018133      5.922091      0.321682
  C      -9.000648      5.301322     -0.485341
  C      -8.911977      3.953319     -0.736753
  C      -7.858989      3.217583     -0.156012
  N      -6.910481      3.755337      0.596245
  C      -6.968311      5.093994      0.812802
  C      -6.463784      1.899800      6.396000
  C      -7.141574      3.259772      6.615018
  C      -8.411963      3.388105      5.802275
  O      -8.017079      3.419044      4.412165
  C      -9.047387      3.296441      3.524765
  C      -9.879326      4.353971      3.234616
  C     -10.914316      4.190263      2.288724
  N     -11.157979      3.070222      1.641469
  C     -10.330381      2.020581      1.898444
  C     -10.530299      0.809660      1.196817
  C      -9.685286     -0.250160      1.431726
  C      -8.643317     -0.095433      2.374319
  N      -8.415385      1.012810      3.060464
  C      -9.243780      2.068564      2.833605
  H      -3.143982     -1.664661      4.532114
  H      -4.151182     -0.503178      3.667886
  H      -1.158712     -0.679256      3.079526
  H      -2.309945     -1.787838      2.320222
  H      -1.822939      0.203040      0.888344
  H      -2.531276      1.242792      2.114383
  H      -5.697069     -1.265449     -0.011228
  H      -6.905454     -0.409190     -2.034944
  H      -5.156476      3.685308     -3.079728
  H      -3.377730      5.146271     -2.036181
  H      -2.139679      4.287156     -0.007384
  H      -2.742239      5.966629      5.289368
  H      -3.953461      5.307674      6.397686
  H      -5.102357      6.249732      4.542256
  H      -5.285941      4.502508      4.393280
  H      -3.160124      4.607054      2.836966
  H      -3.573028      6.329437      2.654325
  H      -5.323190      7.594912      2.472061
  H      -7.258196      8.832070      1.588420
  H      -9.814179      5.911386     -0.874830
  H      -9.654769      3.441646     -1.348601
  H      -7.797378      2.141025     -0.316626
  H      -6.924253      1.149276      7.061485
  H      -6.652757      1.581180      5.366375
  H      -6.447057      4.055723      6.310427
  H      -7.380825      3.427930      7.672702
  H      -8.958618      4.308430      6.051688
  H      -9.082985      2.530581      5.959309
  H      -9.723688      5.308212      3.722934
  H     -11.562919      5.035016      2.050636
  H     -11.350341      0.756646      0.479585
  H      -9.806164     -1.197640      0.907600
  H      -7.964980     -0.929549      2.569022
  N      -4.684554      2.111357      3.833173
  N      -5.490840      2.096660      2.837157
  H      -6.054352      1.257508      2.658303
  H      -5.698855      2.952148      2.287172
102
Coordinates from ORCA-job orca E -6484.756942285575
  N      -2.709732      0.347039      4.969644
  Mo     -3.641385      2.061386      5.269451
  N      -5.028765      1.913747      6.640991
  C      -4.624048      1.964419      8.052966
  C      -3.250462      1.332417      8.219544
  N      -2.333647      1.852524      7.170726
  C      -1.242908      0.904425      6.835586
  C      -1.791877     -0.206042      5.964267
  C      -1.778884      3.196035      7.497506
  C      -1.530605      3.905345      6.175841
  N      -2.764031      3.859734      5.388347
  H      -0.954960     -0.732248      5.470585
  H      -2.322021     -0.969673      6.567843
  H      -0.487239      1.469753      6.271924
  H      -0.764858      0.514403      7.750564
  H      -1.212172      4.950377      6.348770
  H      -0.713040      3.419152      5.622759
  H      -2.530508      3.747973      8.072556
  H      -0.874389      3.100482      8.114759
  H      -5.349665      1.407389      8.675742
  H      -4.623191      3.009613      8.424879
  H      -3.336507      0.243242      8.080227
  H      -2.836823      1.520563      9.227465
  C      -3.125262     -0.701051      4.008294
  C      -2.208614     -0.757739      2.753847
  C      -2.570917      0.315953      1.722710
  O      -3.896863     -0.070310      1.237333
  C      -4.468718      0.491148      0.147608
  C      -5.494929     -0.237447     -0.425301
  C      -6.144526      0.249340     -1.557592
  N      -5.863000      1.396748     -2.149579
  C      -4.877803      2.139964     -1.591467
  C      -4.555576      3.385954     -2.167474
  C      -3.593097      4.176049     -1.600259
  C      -2.944902      3.715977     -0.454031
  N      -3.192811      2.554801      0.113789
  C      -4.142184      1.757177     -0.434661
  C      -3.475764      5.149261      5.409505
  C      -4.548170      5.310431      4.344520
  C      -3.942339      5.296429      2.942736
  O      -4.903388      4.855917      1.965233
  C      -5.886952      5.712096      1.573914
  C      -5.953501      7.087267      1.829722
  C      -7.035898      7.836774      1.289274
  N      -8.012694      7.333707      0.538585
  C      -7.963772      5.975863      0.290373
  C      -8.973858      5.365291     -0.503917
  C      -8.933471      3.989981     -0.730267
  C      -7.898672      3.220811     -0.137267
  N      -6.930179      3.749042      0.610376
  C      -6.940609      5.107800      0.803540
  C      -6.473737      1.888622      6.430425
  C      -7.153336      3.269484      6.618863
  C      -8.433321      3.367016      5.805333
  O      -8.039927      3.348204      4.398963
  C      -9.059737      3.222518      3.500583
  C      -9.875336      4.287931      3.179585
  C     -10.897312      4.118905      2.224173
  N     -11.143455      2.988861      1.594361
  C     -10.330447      1.932524      1.880980
  C     -10.529529      0.711153      1.199489
  C      -9.696265     -0.352067      1.465745
  C      -8.667896     -0.189847      2.417631
  N      -8.442956      0.926842      3.084415
  C      -9.258523      1.984801      2.828849
  H      -3.115064     -1.690002      4.523753
  H      -4.161014     -0.523190      3.694071
  H      -1.145581     -0.621326      3.042019
  H      -2.289015     -1.768353      2.287916
  H      -1.847118      0.333843      0.870742
  H      -2.614777      1.341295      2.159949
  H      -5.764519     -1.200818      0.000479
  H      -6.933193     -0.350798     -2.006553
  H      -5.094269      3.682078     -3.049431
  H      -3.325184      5.141402     -2.015694
  H      -2.177703      4.334029      0.011464
  H      -2.722674      5.955095      5.275677
  H      -3.936389      5.319245      6.407711
  H      -5.089289      6.252141      4.540786
  H      -5.293568      4.499224      4.410240
  H      -3.141151      4.539481      2.883384
  H      -3.518683      6.281277      2.652282
  H      -5.193036      7.606702      2.421481
  H      -7.083290      8.925015      1.493744
  H      -9.769318      6.004625     -0.907576
  H      -9.696044      3.487245     -1.335977
  H      -7.866892      2.129116     -0.288808
  H      -6.934615      1.147368      7.122288
  H      -6.665602      1.541822      5.402434
  H      -6.459047      4.070826      6.276133
  H      -7.385588      3.475049      7.691296
  H      -8.977343      4.306059      6.028756
  H      -9.107783      2.507448      6.002264
  H      -9.715807      5.252687      3.652707
  H     -11.533922      4.969454      1.964535
  H     -11.338401      0.652483      0.473128
  H      -9.816398     -1.308246      0.960085
  H      -7.998766     -1.025398      2.635547
  N      -4.713644      2.100072      3.846785
  N      -5.519942      2.073093      2.852349
  H      -6.089688      1.230732      2.687334
  H      -5.735734      2.917692      2.290218
102
Coordinates from ORCA-job orca E -6484.759425903707
  N      -2.671495      0.364986      4.968551
  Mo     -3.614194      2.071737      5.268926
  N      -5.012263      1.914308      6.621709
  C      -4.621931      1.960399      8.033235
  C      -3.247313      1.331650      8.211577
  N      -2.322203      1.855800      7.178117
  C      -1.227953      0.912971      6.846826
  C      -1.771800     -0.187130      5.964359
  C      -1.770584      3.189777      7.516236
  C      -1.510226      3.898219      6.202596
  N      -2.737406      3.857829      5.399474
  H      -0.947139     -0.707001      5.481391
  H      -2.306241     -0.941181      6.551179
  H      -0.471296      1.480787      6.292648
  H      -0.755121      0.517185      7.759540
  H      -1.193388      4.933742      6.383335
  H      -0.688745      3.414562      5.660593
  H      -2.528165      3.738286      8.083246
  H      -0.869940      3.092680      8.144156
  H      -5.351264      1.403314      8.642759
  H      -4.624664      2.998585      8.407711
  H      -3.329777      0.247957      8.067544
  H      -2.844284      1.514943      9.220669
  C      -3.064300     -0.671703      4.031243
  C      -2.148582     -0.732851      2.820123
  C      -2.506461      0.311719      1.775495
  O      -3.816974     -0.073960      1.275833
  C      -4.414561      0.470705      0.189066
  C      -5.467723     -0.280336     -0.350123
  C      -6.190131      0.197182     -1.461675
  N      -5.958079      1.357472     -2.066425
  C      -4.944521      2.121123     -1.547269
  C      -4.691912      3.389146     -2.134692
  C      -3.704646      4.202596     -1.607294
  C      -2.964861      3.745114     -0.484631
  N      -3.153466      2.567568      0.095387
  C      -4.126555      1.745989     -0.414190
  C      -3.441163      5.145117      5.417577
  C      -4.510189      5.310213      4.350331
  C      -3.916584      5.296664      2.948418
  O      -4.896286      4.871227      1.982873
  C      -5.870196      5.732587      1.597144
  C      -5.921702      7.100068      1.848160
  C      -6.993966      7.854994      1.305736
  N      -7.971825      7.366869      0.554646
  C      -7.938704      6.016744      0.312025
  C      -8.950631      5.421034     -0.482753
  C      -8.926775      4.051980     -0.694070
  C      -7.910629      3.275213     -0.086973
  N      -6.936333      3.789987      0.653177
  C      -6.929682      5.142866      0.832417
  C      -6.449778      1.882883      6.376169
  C      -7.143415      3.246526      6.537079
  C      -8.409024      3.334898      5.699931
  O      -8.010794      3.303796      4.299587
  C      -9.046372      3.190370      3.413827
  C      -9.852425      4.277335      3.109782
  C     -10.901246      4.122740      2.177744
  N     -11.188167      2.984489      1.557806
  C     -10.388331      1.908261      1.826108
  C     -10.641267      0.684059      1.156630
  C      -9.831469     -0.402600      1.409008
  C      -8.764667     -0.263803      2.331087
  N      -8.484221      0.858017      2.983732
  C      -9.284531      1.943471      2.745839
  H      -3.042751     -1.636232      4.548162
  H      -4.098547     -0.502676      3.704259
  H      -1.101903     -0.585315      3.137234
  H      -2.213596     -1.725550      2.370476
  H      -1.787961      0.320782      0.944102
  H      -2.552259      1.326049      2.198343
  H      -5.706277     -1.251697      0.090177
  H      -7.009866     -0.414263     -1.876617
  H      -5.306209      3.686126     -2.993248
  H      -3.491039      5.185609     -2.035397
  H      -2.181605      4.382661     -0.045390
  H      -2.686819      5.944248      5.288914
  H      -3.901269      5.314434      6.409769
  H      -5.047017      6.250740      4.544987
  H      -5.252706      4.502527      4.415256
  H      -3.124988      4.534648      2.876675
  H      -3.487807      6.273181      2.660421
  H      -5.158287      7.610523      2.436940
  H      -7.030872      8.935805      1.506328
  H      -9.732069      6.065837     -0.898219
  H      -9.690173      3.558317     -1.296520
  H      -7.896747      2.186165     -0.221145
  H      -6.918601      1.147155      7.051320
  H      -6.618611      1.535857      5.347820
  H      -6.456127      4.038797      6.211948
  H      -7.392221      3.448162      7.587305
  H      -8.961873      4.268657      5.907175
  H      -9.079334      2.476906      5.894943
  H      -9.669325      5.250788      3.580372
  H     -11.532971      4.989780      1.935506
  H     -11.476595      0.641982      0.453314
  H     -10.000592     -1.359686      0.914249
  H      -8.112527     -1.123016      2.540520
  N      -4.698568      2.114774      3.851787
  N      -5.547927      2.086044      2.896480
  H      -6.119358      1.258451      2.767580
  H      -5.786085      2.915961      2.333314
102
Coordinates from ORCA-job orca E -6484.758998189298
  N      -2.703027      0.350896      4.979408
  Mo     -3.609528      2.075179      5.267256
  N      -5.017297      1.944172      6.619350
  C      -4.637876      1.989647      8.034362
  C      -3.276014      1.336460      8.223612
  N      -2.336735      1.842705      7.190117
  C      -1.254063      0.873693      6.880185
  C      -1.807582     -0.223734      6.005297
  C      -1.771467      3.176386      7.523284
  C      -1.487526      3.887034      6.196162
  N      -2.718607      3.864962      5.388803
  H      -0.956882     -0.774587      5.531598
  H      -2.372099     -0.977561      6.611758
  H      -0.474104      1.418974      6.329538
  H      -0.804183      0.475130      7.806039
  H      -1.159733      4.923781      6.373696
  H      -0.658910      3.384650      5.655244
  H      -2.534174      3.745440      8.087552
  H      -0.873199      3.063033      8.162814
  H      -5.380856      1.445512      8.644105
  H      -4.629523      3.032106      8.403915
  H      -3.372377      0.251571      8.082654
  H      -2.878264      1.517521      9.235116
  C      -3.129004     -0.678820      4.001196
  C      -2.204267     -0.759491      2.770803
  C      -2.507398      0.279017      1.723178
  O      -3.812934     -0.077109      1.212387
  C      -4.365656      0.459742      0.114588
  C      -5.389917     -0.287225     -0.450149
  C      -6.059350      0.187163     -1.585666
  N      -5.803759      1.343658     -2.185765
  C      -4.819895      2.105370     -1.634211
  C      -4.546623      3.373696     -2.209899
  C      -3.589311      4.182735     -1.647197
  C      -2.894288      3.715349     -0.505511
  N      -3.104634      2.539007      0.063777
  C      -4.051831      1.727039     -0.478602
  C      -3.425734      5.164077      5.394938
  C      -4.507697      5.334594      4.333787
  C      -3.945555      5.332601      2.914050
  O      -4.936380      4.896726      1.957274
  C      -5.947484      5.700876      1.607857
  C      -6.073343      7.035384      1.894945
  C      -7.187444      7.724006      1.389461
  N      -8.137984      7.204884      0.639279
  C      -8.028314      5.885874      0.357017
  C      -9.005297      5.261836     -0.447140
  C      -8.900236      3.930151     -0.705594
  C      -7.840911      3.209078     -0.132007
  N      -6.901344      3.747606      0.620251
  C      -6.972099      5.074143      0.841006
  C      -6.456028      1.928058      6.380555
  C      -7.127568      3.294960      6.573957
  C      -8.391946      3.413919      5.752674
  O      -8.003658      3.406132      4.353452
  C      -9.058166      3.283194      3.489072
  C      -9.894618      4.343435      3.227335
  C     -10.965207      4.174254      2.316794
  N     -11.241163      3.044944      1.679706
  C     -10.407522      1.995475      1.905891
  C     -10.641392      0.779826      1.214427
  C      -9.790787     -0.280457      1.415276
  C      -8.708616     -0.123125      2.311224
  N      -8.447262      0.990343      2.988620
  C      -9.283199      2.048647      2.799087
  H      -3.157895     -1.657085      4.515435
  H      -4.147841     -0.480835      3.656356
  H      -1.165441     -0.649921      3.086685
  H      -2.300638     -1.750409      2.306001
  H      -1.787809      0.258266      0.900033
  H      -2.525247      1.286138      2.140306
  H      -5.648316     -1.252766     -0.010469
  H      -6.850984     -0.424313     -2.025218
  H      -5.124710      3.676729     -3.087111
  H      -3.361069      5.167209     -2.062615
  H      -2.130559      4.346140     -0.041334
  H      -2.671965      5.965185      5.264512
  H      -3.888005      5.334989      6.389986
  H      -5.041717      6.275672      4.540516
  H      -5.254073      4.524080      4.411244
  H      -3.148395      4.585672      2.811572
  H      -3.537803      6.313711      2.630459
  H      -5.340586      7.570581      2.488037
  H      -7.285892      8.777358      1.620918
  H      -9.823527      5.858951     -0.831985
  H      -9.636213      3.417331     -1.317003
  H      -7.765566      2.142578     -0.297481
  H      -6.929453      1.188517      7.049581
  H      -6.634106      1.600523      5.352810
  H      -6.429723      4.082634      6.261370
  H      -7.372140      3.478996      7.626351
  H      -8.931584      4.345472      5.981002
  H      -9.069548      2.562792      5.932926
  H      -9.718949      5.305096      3.713177
  H     -11.620447      5.019241      2.104425
  H     -11.491183      0.725234      0.531610
  H      -9.937652     -1.230385      0.897533
  H      -8.024427     -0.958237      2.473628
  N      -4.679895      2.107668      3.843652
  N      -5.501418      2.084338      2.861901
  H      -6.088734      1.263755      2.722492
  H      -5.708655      2.917258      2.294112
102
Coordinates from ORCA-job orca E -6484.761058227934
  N      -2.679064      0.364953      4.960879
  Mo     -3.619144      2.077304      5.259950
  N      -5.021009      1.914882      6.612917
  C      -4.634297      1.954673      8.026165
  C      -3.261826      1.325239      8.208163
  N      -2.336968      1.855216      7.178744
  C      -1.238400      0.913780      6.855755
  C      -1.774213     -0.188417      5.972925
  C      -1.794802      3.195185      7.522143
  C      -1.530512      3.912940      6.206383
  N      -2.754249      3.871229      5.392566
  H      -0.929259     -0.716414      5.492750
  H      -2.314823     -0.948917      6.568643
  H      -0.475870      1.481243      6.306977
  H      -0.772808      0.518890      7.775261
  H      -1.222016      4.951312      6.392298
  H      -0.698198      3.432996      5.666760
  H      -2.561839      3.742525      8.087235
  H      -0.895942      3.098902      8.159337
  H      -5.366047      1.395301      8.632302
  H      -4.639361      2.993378      8.403725
  H      -3.340891      0.240680      8.059294
  H      -2.861900      1.506217      9.220166
  C      -3.082633     -0.682244      3.999575
  C      -2.161655     -0.744890      2.763502
  C      -2.522006      0.295318      1.716660
  O      -3.835683     -0.081229      1.236339
  C      -4.419126      0.483427      0.156069
  C      -5.466123     -0.234328     -0.407878
  C      -6.148577      0.269028     -1.526852
  N      -5.878240      1.422107     -2.115233
  C      -4.868765      2.151333     -1.566996
  C      -4.560789      3.404436     -2.138461
  C      -3.570564      4.177016     -1.582813
  C      -2.881002      3.691549     -0.450652
  N      -3.120487      2.527451      0.114378
  C      -4.095592      1.748274     -0.423954
  C      -3.477442      5.152640      5.394991
  C      -4.541684      5.300140      4.317347
  C      -3.950354      5.302597      2.916371
  O      -4.908603      4.861799      1.942110
  C      -5.889508      5.699769      1.547849
  C      -5.957087      7.066782      1.783046
  C      -7.040678      7.797960      1.243661
  N      -8.019658      7.284775      0.514660
  C      -7.971334      5.933104      0.288082
  C      -8.987486      5.311810     -0.482045
  C      -8.947646      3.945906     -0.687466
  C      -7.907295      3.194992     -0.099287
  N      -6.932780      3.731087      0.625481
  C      -6.944114      5.083405      0.799509
  C      -6.461749      1.883798      6.381433
  C      -7.146861      3.236598      6.589855
  C      -8.419722      3.350068      5.780793
  O      -8.027512      3.351629      4.391188
  C      -9.063435      3.249276      3.507882
  C      -9.888262      4.317280      3.227688
  C     -10.933681      4.165296      2.290544
  N     -11.198327      3.045618      1.647137
  C     -10.378850      1.985930      1.895531
  C     -10.605834      0.772026      1.204535
  C      -9.771877     -0.300536      1.433309
  C      -8.710038     -0.153234      2.354206
  N      -8.455861      0.957662      3.029279
  C      -9.277511      2.023954      2.814440
  H      -3.071777     -1.661934      4.514606
  H      -4.117879     -0.510310      3.674222
  H      -1.106365     -0.599482      3.062726
  H      -2.231166     -1.753602      2.310969
  H      -1.816310      0.290506      0.880454
  H      -2.555695      1.306925      2.124429
  H      -5.729359     -1.199908      0.016513
  H      -6.957840     -0.319643     -1.966003
  H      -5.133809      3.721442     -3.009059
  H      -3.311149      5.146407     -1.996593
  H      -2.090921      4.294051      0.005934
  H      -2.740076      5.961242      5.272036
  H      -3.947184      5.313286      6.382008
  H      -5.096766      6.224178      4.506427
  H      -5.263854      4.481741      4.380853
  H      -3.148803      4.566447      2.847011
  H      -3.549441      6.282182      2.633098
  H      -5.196554      7.595217      2.357918
  H      -7.087790      8.880003      1.429828
  H      -9.786297      5.936993     -0.882872
  H      -9.716768      3.434493     -1.272053
  H      -7.877171      2.108638     -0.231826
  H      -6.923506      1.134709      7.042850
  H      -6.644247      1.563049      5.355566
  H      -6.457635      4.031157      6.279708
  H      -7.385088      3.411764      7.642848
  H      -8.967619      4.271780      6.014819
  H      -9.088749      2.496778      5.954585
  H      -9.720844      5.270643      3.718054
  H     -11.577214      5.018264      2.060050
  H     -11.438932      0.725771      0.501886
  H      -9.916213     -1.252324      0.920317
  H      -8.038769     -0.997659      2.541664
  N      -4.691165      2.101836      3.839914
  N      -5.533504      2.054915      2.872799
  H      -6.115180      1.214725      2.749935
  H      -5.770511      2.895946      2.306631
102
Coordinates from ORCA-job orca E -6484.759112045167
  N      -2.709392      0.353892      4.977661
  Mo     -3.621750      2.074837      5.274097
  N      -5.016414      1.944664      6.640611
  C      -4.621415      2.003034      8.054346
  C      -3.258204      1.348404      8.229299
  N      -2.328368      1.849626      7.180579
  C      -1.250531      0.884091      6.851350
  C      -1.811454     -0.215252      5.974272
  C      -1.752976      3.182538      7.506129
  C      -1.482311      3.884422      6.185764
  N      -2.711755      3.856140      5.392505
  H      -0.985195     -0.749208      5.485829
  H      -2.356629     -0.970931      6.569092
  H      -0.481385      1.437285      6.294280
  H      -0.786665      0.484204      7.767706
  H      -1.149039      4.923438      6.361027
  H      -0.668992      3.386541      5.638571
  H      -2.499631      3.747626      8.074312
  H      -0.854548      3.073735      8.128507
  H      -5.359802      1.464309      8.678113
  H      -4.603699      3.050626      8.417175
  H      -3.362586      0.260767      8.094078
  H      -2.845374      1.533250      9.236785
  C      -3.121625     -0.678322      4.024746
  C      -2.195315     -0.746762      2.804065
  C      -2.527277      0.308234      1.761194
  O      -3.839713     -0.075845      1.246556
  C      -4.421776      0.475658      0.157958
  C      -5.458385     -0.272578     -0.397967
  C      -6.163521      0.213031     -1.513036
  N      -5.932808      1.380923     -2.104688
  C      -4.937208      2.143391     -1.568816
  C      -4.690342      3.422550     -2.141808
  C      -3.723318      4.236909     -1.597650
  C      -2.993921      3.766608     -0.475758
  N      -3.177673      2.578071      0.092078
  C      -4.134182      1.757738     -0.432376
  C      -3.393332      5.158363      5.412239
  C      -4.478718      5.329456      4.362661
  C      -3.895986      5.290566      2.952399
  O      -4.889910      4.862761      1.998189
  C      -5.863184      5.729529      1.616401
  C      -5.907828      7.099082      1.866204
  C      -6.980348      7.859333      1.325063
  N      -7.963983      7.375474      0.574936
  C      -7.936265      6.024643      0.332412
  C      -8.950636      5.434824     -0.464339
  C      -8.930626      4.063678     -0.678633
  C      -7.914700      3.279807     -0.072253
  N      -6.938911      3.791039      0.670978
  C      -6.928644      5.144655      0.852931
  C      -6.457011      1.919767      6.409968
  C      -7.139522      3.318359      6.535188
  C      -8.415510      3.379305      5.704461
  O      -8.027246      3.278875      4.285207
  C      -9.063052      3.144803      3.403163
  C      -9.881857      4.217977      3.092348
  C     -10.929304      4.040371      2.164902
  N     -11.199382      2.896167      1.551692
  C     -10.383158      1.835315      1.824020
  C     -10.609995      0.606909      1.157341
  C      -9.776054     -0.458640      1.409536
  C      -8.715498     -0.295013      2.329865
  N      -8.461682      0.829690      2.980531
  C      -9.282723      1.893342      2.742527
  H      -3.122016     -1.649567      4.542265
  H      -4.149457     -0.494557      3.690653
  H      -1.147316     -0.612895      3.125929
  H      -2.271714     -1.743219      2.340788
  H      -1.792469      0.315006      0.928607
  H      -2.570575      1.330125      2.196940
  H      -5.698504     -1.247696      0.031579
  H      -6.967653     -0.398138     -1.942624
  H      -5.294965      3.727448     -3.002381
  H      -3.515619      5.230146     -2.012473
  H      -2.223272      4.403526     -0.026951
  H      -2.622685      5.948040      5.263063
  H      -3.837379      5.346393      6.414377
  H      -4.999867      6.284495      4.558478
  H      -5.239035      4.530080      4.445038
  H      -3.111421      4.514133      2.881308
  H      -3.454305      6.263527      2.650795
  H      -5.139164      7.606136      2.453898
  H      -7.011862      8.941310      1.525055
  H      -9.729773      6.085919     -0.881791
  H      -9.695139      3.574384     -1.283371
  H      -7.901438      2.190077     -0.211822
  H      -6.932029      1.200319      7.122894
  H      -6.631741      1.536572      5.382838
  H      -6.445963      4.111417      6.160150
  H      -7.376496      3.568734      7.605151
  H      -8.952456      4.341859      5.877861
  H      -9.098246      2.528879      5.954492
  H      -9.710038      5.196144      3.556277
  H     -11.572253      4.894650      1.919511
  H     -11.441072      0.546338      0.453547
  H      -9.919942     -1.417558      0.914865
  H      -8.043767     -1.133795      2.535533
  N      -4.709162      2.124597      3.855962
  N      -5.547470      2.094919      2.892068
  H      -6.154091      1.284288      2.785556
  H      -5.771417      2.922588      2.318814
102
Coordinates from ORCA-job orca E -6484.762140696611
  N      -2.706116      0.358196      4.975470
  Mo     -3.621745      2.078350      5.269148
  N      -5.024718      1.940159      6.625316
  C      -4.639451      1.987358      8.039261
  C      -3.275072      1.338852      8.222489
  N      -2.341703      1.847980      7.185382
  C      -1.258877      0.885496      6.864188
  C      -1.812596     -0.210840      5.982891
  C      -1.773969      3.180237      7.519048
  C      -1.491583      3.884704      6.197817
  N      -2.717071      3.861069      5.390190
  H      -0.978924     -0.746672      5.501915
  H      -2.363393     -0.965517      6.576061
  H      -0.485892      1.438909      6.314007
  H      -0.801905      0.484434      7.784038
  H      -1.161077      4.921486      6.375989
  H      -0.669418      3.384198      5.658558
  H      -2.530511      3.745707      8.081193
  H      -0.878357      3.070202      8.153894
  H      -5.379247      1.442535      8.650731
  H      -4.629429      3.029250      8.409158
  H      -3.371908      0.253967      8.080742
  H      -2.870857      1.519835      9.232433
  C      -3.114189     -0.671890      4.010450
  C      -2.189198     -0.732152      2.786566
  C      -2.520871      0.321103      1.744988
  O      -3.826938     -0.052894      1.235778
  C      -4.406248      0.497800      0.149345
  C      -5.448007     -0.246374     -0.406148
  C      -6.141377      0.234949     -1.524418
  N      -5.891145      1.393088     -2.120237
  C      -4.889243      2.150345     -1.583097
  C      -4.614514      3.414720     -2.160590
  C      -3.636784      4.219679     -1.615891
  C      -2.926232      3.755497     -0.488151
  N      -3.135374      2.581173      0.082818
  C      -4.100754      1.769866     -0.442567
  C      -3.401663      5.169449      5.386279
  C      -4.476297      5.338209      4.322833
  C      -3.895099      5.289194      2.908901
  O      -4.896174      4.861297      1.960175
  C      -5.873282      5.714123      1.579758
  C      -5.929570      7.078590      1.818546
  C      -7.012080      7.816399      1.284446
  N      -7.995217      7.316048      0.551471
  C      -7.955497      5.969601      0.318844
  C      -8.969735      5.362279     -0.461039
  C      -8.934965      3.999546     -0.668839
  C      -7.906809      3.237925     -0.070492
  N      -6.933109      3.762438      0.659576
  C      -6.935993      5.111634      0.832881
  C      -6.462318      1.904914      6.383077
  C      -7.157826      3.258832      6.565597
  C      -8.429428      3.351670      5.744345
  O      -8.040485      3.323616      4.347975
  C      -9.076137      3.199244      3.466631
  C      -9.913845      4.259319      3.181056
  C     -10.961711      4.087570      2.251850
  N     -11.219906      2.955788      1.620497
  C     -10.389559      1.904254      1.872531
  C     -10.612813      0.682493      1.193830
  C      -9.769968     -0.379483      1.427269
  C      -8.700623     -0.216762      2.339294
  N      -8.448417      0.903197      3.001792
  C      -9.281610      1.961905      2.783622
  H      -3.118503     -1.650561      4.520686
  H      -4.140186     -0.486193      3.675005
  H      -1.146095     -0.600698      3.104036
  H      -2.264351     -1.724597      2.323409
  H      -1.795452      0.325296      0.913530
  H      -2.558835      1.333983      2.174445
  H      -5.698526     -1.216272      0.026328
  H      -6.948873     -0.373285     -1.953950
  H      -5.204541      3.715703     -3.025829
  H      -3.406759      5.200178     -2.034795
  H      -2.148838      4.384941     -0.037287
  H      -2.631746      5.957978      5.240443
  H      -3.859606      5.363926      6.381788
  H      -4.995647      6.297060      4.507289
  H      -5.238383      4.540147      4.412089
  H      -3.115694      4.508367      2.832950
  H      -3.449591      6.258456      2.602897
  H      -5.164589      7.598588      2.393968
  H      -7.053875      8.893844      1.476357
  H      -9.759924      5.994817     -0.870175
  H      -9.700076      3.497641     -1.260463
  H      -7.884562      2.152270     -0.200216
  H      -6.926667      1.162067      7.050178
  H      -6.634998      1.569162      5.355823
  H      -6.474977      4.054511      6.249121
  H      -7.400857      3.444096      7.615057
  H      -8.979887      4.279942      5.957897
  H      -9.097480      2.496993      5.938046
  H      -9.756093      5.223885      3.663050
  H     -11.615785      4.934248      2.020530
  H     -11.450900      0.622920      0.497170
  H      -9.913116     -1.334804      0.923283
  H      -8.021882     -1.053666      2.530473
  N      -4.703009      2.115043      3.852050
  N      -5.550460      2.076032      2.894172
  H      -6.159545      1.266037      2.802899
  H      -5.776877      2.896559      2.315673
102
Coordinates from ORCA-job orca E -6484.759324119915
  N      -2.681450      0.362476      4.962870
  Mo     -3.601817      2.084394      5.258492
  N      -5.010414      1.940672      6.608906
  C      -4.629888      1.984859      8.023144
  C      -3.268533      1.332194      8.211547
  N      -2.332856      1.847447      7.184250
  C      -1.243592      0.890636      6.871506
  C      -1.785649     -0.202890      5.984841
  C      -1.778804      3.181377      7.528143
  C      -1.500881      3.900002      6.213710
  N      -2.721240      3.870469      5.388831
  H      -0.936779     -0.741340      5.509956
  H      -2.339715     -0.960234      6.579811
  H      -0.466412      1.446035      6.330737
  H      -0.793902      0.488498      7.796294
  H      -1.189111      4.932463      6.406094
  H      -0.665038      3.417167      5.680008
  H      -2.545523      3.736941      8.089754
  H      -0.882655      3.074666      8.172634
  H      -5.373276      1.442553      8.631428
  H      -4.618428      3.026434      8.392834
  H      -3.362529      0.249421      8.063415
  H      -2.869992      1.508669      9.223828
  C      -3.090669     -0.677320      3.994069
  C      -2.163942     -0.749831      2.767393
  C      -2.511945      0.275529      1.710519
  O      -3.820590     -0.100344      1.218026
  C      -4.393280      0.472704      0.141005
  C      -5.422098     -0.243586     -0.439080
  C      -6.106259      0.275575     -1.552273
  N      -5.853474      1.444141     -2.121075
  C      -4.857920      2.170547     -1.557884
  C      -4.571579      3.442176     -2.106374
  C      -3.591033      4.209449     -1.538239
  C      -2.887140      3.697991     -0.417350
  N      -3.111017      2.519191      0.128686
  C      -4.079226      1.747631     -0.420974
  C      -3.443356      5.145884      5.393122
  C      -4.516929      5.286728      4.322109
  C      -3.953953      5.318977      2.919584
  O      -4.907444      4.874897      1.947052
  C      -5.893527      5.694568      1.560804
  C      -5.966382      7.053046      1.792723
  C      -7.053043      7.772837      1.259438
  N      -8.031302      7.256466      0.539300
  C      -7.979583      5.911506      0.316549
  C      -8.997416      5.287327     -0.444817
  C      -8.955624      3.929831     -0.645514
  C      -7.911519      3.188731     -0.062499
  N      -6.934685      3.726708      0.652583
  C      -6.948099      5.072724      0.822935
  C      -6.451350      1.929704      6.373022
  C      -7.112785      3.316673      6.535839
  C      -8.385740      3.414405      5.726031
  O      -8.005589      3.340743      4.319064
  C      -9.069382      3.231055      3.465264
  C      -9.907492      4.294775      3.212460
  C     -10.984301      4.129830      2.307766
  N     -11.265591      3.002642      1.670775
  C     -10.430117      1.950504      1.889669
  C     -10.670365      0.733541      1.202092
  C      -9.817198     -0.330447      1.395754
  C      -8.723534     -0.172009      2.276750
  N      -8.455694      0.942347      2.948571
  C      -9.297507      2.000391      2.771970
  H      -3.094754     -1.654680      4.508419
  H      -4.120862     -0.497543      3.657652
  H      -1.111819     -0.606940      3.074149
  H      -2.234168     -1.758241      2.320692
  H      -1.803839      0.255367      0.888434
  H      -2.542391      1.285108      2.104206
  H      -5.674411     -1.218513     -0.029263
  H      -6.903311     -0.310922     -2.002308
  H      -5.153909      3.777908     -2.970126
  H      -3.347634      5.192564     -1.934881
  H      -2.100169      4.293579      0.046704
  H      -2.716035      5.953334      5.272789
  H      -3.903715      5.297124      6.377534
  H      -5.084431      6.188371      4.522291
  H      -5.214124      4.461726      4.381033
  H      -3.146039      4.613035      2.835803
  H      -3.586947      6.297200      2.647026
  H      -5.206187      7.585140      2.359100
  H      -7.102641      8.849034      1.441506
  H      -9.797627      5.905154     -0.843185
  H      -9.726868      3.415913     -1.222010
  H      -7.881487      2.107131     -0.187929
  H      -6.932786      1.204719      7.062113
  H      -6.630432      1.580965      5.350235
  H      -6.410329      4.097981      6.183738
  H      -7.345673      3.541944      7.596824
  H      -8.911229      4.365992      5.922734
  H      -9.072894      2.576454      5.951230
  H      -9.730503      5.254111      3.700937
  H     -11.641261      4.977284      2.100768
  H     -11.527237      0.679852      0.528062
  H      -9.969741     -1.283440      0.883149
  H      -8.035645     -1.008959      2.431721
  N      -4.680604      2.106952      3.846313
  N      -5.540927      2.054826      2.894163
  H      -6.157130      1.234510      2.815505
  H      -5.784093      2.897518      2.326394
102
Coordinates from ORCA-job orca E -6484.762996481832
  N      -2.702973      0.359554      4.970804
  Mo     -3.615926      2.082471      5.265586
  N      -5.021940      1.945671      6.620239
  C      -4.638871      1.994143      8.034640
  C      -3.278346      1.339021      8.220893
  N      -2.342204      1.845799      7.186374
  C      -1.260684      0.881192      6.869091
  C      -1.812902     -0.211894      5.983931
  C      -1.773158      3.176926      7.522378
  C      -1.487846      3.883538      6.203420
  N      -2.709838      3.862446      5.388517
  H      -0.975469     -0.750916      5.505736
  H      -2.368272     -0.966279      6.575612
  H      -0.483250      1.432837      6.323805
  H      -0.809330      0.477694      7.791239
  H      -1.159354      4.918529      6.386181
  H      -0.662811      3.385563      5.667266
  H      -2.530192      3.742748      8.083307
  H      -0.878723      3.064939      8.160312
  H      -5.382533      1.454990      8.646557
  H      -4.623459      3.037243      8.401772
  H      -3.378679      0.254733      8.077927
  H      -2.875151      1.518077      9.231698
  C      -3.108480     -0.672218      4.001890
  C      -2.175841     -0.733130      2.780708
  C      -2.514330      0.310310      1.733355
  O      -3.820429     -0.069331      1.227940
  C      -4.403404      0.495665      0.149547
  C      -5.441594     -0.237342     -0.416049
  C      -6.140154      0.264283     -1.525977
  N      -5.895249      1.431041     -2.105694
  C      -4.893011      2.175034     -1.559723
  C      -4.618239      3.445516     -2.121951
  C      -3.636472      4.234656     -1.570311
  C      -2.921423      3.747969     -0.451158
  N      -3.131573      2.568471      0.106482
  C      -4.100628      1.773283     -0.426207
  C      -3.396703      5.165656      5.382780
  C      -4.473036      5.325870      4.319504
  C      -3.899493      5.288785      2.907247
  O      -4.892770      4.857537      1.957056
  C      -5.864097      5.709285      1.568470
  C      -5.908035      7.076855      1.789971
  C      -6.985068      7.817554      1.251028
  N      -7.976534      7.315463      0.531536
  C      -7.950694      5.965003      0.317588
  C      -8.977156      5.355679     -0.445549
  C      -8.956492      3.990776     -0.638000
  C      -7.928314      3.229015     -0.041797
  N      -6.944526      3.754331      0.674943
  C      -6.934924      5.105315      0.834407
  C      -6.460891      1.920316      6.379836
  C      -7.143888      3.290892      6.542258
  C      -8.419005      3.374631      5.727087
  O      -8.035660      3.305706      4.324561
  C      -9.081137      3.183395      3.453740
  C      -9.924678      4.240890      3.179961
  C     -10.983002      4.065922      2.261395
  N     -11.245256      2.933929      1.630422
  C     -10.407614      1.886137      1.870565
  C     -10.633298      0.663620      1.192642
  C      -9.780752     -0.394349      1.411700
  C      -8.699531     -0.225305      2.306968
  N      -8.445434      0.894853      2.968964
  C      -9.288849      1.947736      2.767899
  H      -3.112598     -1.650806      4.511660
  H      -4.135781     -0.489570      3.662865
  H      -1.129272     -0.591207      3.099615
  H      -2.242090     -1.734020      2.320949
  H      -1.791772      0.308157      0.905982
  H      -2.553612      1.323716      2.151265
  H      -5.687087     -1.213113      0.002529
  H      -6.945242     -0.335079     -1.963201
  H      -5.210627      3.763092     -2.982206
  H      -3.404668      5.218625     -1.977788
  H      -2.138208      4.363421      0.003067
  H      -2.633524      5.954819      5.237505
  H      -3.851640      5.356313      6.376324
  H      -5.002108      6.272645      4.504738
  H      -5.220479      4.522612      4.406181
  H      -3.116487      4.522405      2.830962
  H      -3.469623      6.257622      2.604362
  H      -5.135577      7.597998      2.354271
  H      -7.014835      8.898650      1.427286
  H      -9.765138      5.989553     -0.855029
  H      -9.731777      3.487826     -1.217042
  H      -7.915728      2.142562     -0.160472
  H      -6.934292      1.189408      7.061774
  H      -6.634706      1.570480      5.355832
  H      -6.454617      4.080192      6.200540
  H      -7.380419      3.503141      7.597347
  H      -8.957542      4.317548      5.921527
  H      -9.095653      2.529434      5.948429
  H      -9.765088      5.204559      3.663472
  H     -11.642567      4.909743      2.039052
  H     -11.479959      0.600491      0.507147
  H      -9.924709     -1.350773      0.908318
  H      -8.011800     -1.057264      2.483681
  N      -4.699792      2.115443      3.852197
  N      -5.562452      2.067527      2.906027
  H      -6.189098      1.261140      2.841881
  H      -5.801874      2.896689      2.331036
102
Coordinates from ORCA-job orca E -6484.763312864027
  N      -2.723212      0.358001      4.972542
  Mo     -3.624538      2.085399      5.268050
  N      -5.026413      1.958461      6.628931
  C      -4.639346      2.008267      8.042768
  C      -3.282222      1.344896      8.224541
  N      -2.347129      1.844937      7.184271
  C      -1.272658      0.872882      6.864789
  C      -1.833870     -0.219286      5.982144
  C      -1.769142      3.173656      7.517279
  C      -1.480879      3.877597      6.198469
  N      -2.702761      3.859927      5.385431
  H      -1.000706     -0.762569      5.500267
  H      -2.391121     -0.972459      6.576170
  H      -0.492054      1.419076      6.317667
  H      -0.823084      0.467097      7.786693
  H      -1.147817      4.911690      6.381481
  H      -0.659271      3.376790      5.661357
  H      -2.521918      3.744614      8.077920
  H      -0.875580      3.057805      8.153913
  H      -5.384433      1.474535      8.658658
  H      -4.616092      3.052570      8.407942
  H      -3.390691      0.260394      8.082954
  H      -2.873182      1.522657      9.233705
  C      -3.135371     -0.669044      4.002941
  C      -2.205710     -0.733426      2.780871
  C      -2.531035      0.316515      1.734443
  O      -3.834579     -0.056764      1.218874
  C      -4.409468      0.507064      0.137236
  C      -5.451061     -0.224727     -0.430112
  C      -6.142208      0.273802     -1.543109
  N      -5.889073      1.437211     -2.124474
  C      -4.885944      2.181413     -1.576745
  C      -4.608815      3.451638     -2.138617
  C      -3.627384      4.242404     -1.585302
  C      -2.914505      3.757167     -0.464620
  N      -3.127707      2.578021      0.093109
  C      -4.097903      1.781800     -0.440427
  C      -3.381431      5.165445      5.378639
  C      -4.459109      5.323928      4.317748
  C      -3.889222      5.290903      2.906257
  O      -4.881834      4.859464      1.957222
  C      -5.850201      5.714563      1.565564
  C      -5.886553      7.084075      1.779366
  C      -6.959195      7.829161      1.235161
  N      -7.952905      7.329710      0.517067
  C      -7.934953      5.977657      0.310928
  C      -8.963434      5.371061     -0.451391
  C      -8.952620      4.002744     -0.632330
  C      -7.931122      3.237254     -0.028261
  N      -6.943189      3.761065      0.684193
  C      -6.924909      5.113590      0.834649
  C      -6.464577      1.928702      6.390333
  C      -7.151115      3.296402      6.553236
  C      -8.429206      3.374064      5.740128
  O      -8.050624      3.300340      4.337550
  C      -9.094261      3.165907      3.467060
  C      -9.956143      4.208978      3.196238
  C     -11.009475      4.020037      2.275882
  N     -11.251798      2.887464      1.641152
  C     -10.397567      1.853287      1.879073
  C     -10.603118      0.630581      1.197714
  C      -9.734390     -0.413758      1.415141
  C      -8.655920     -0.230730      2.311362
  N      -8.419648      0.891043      2.975763
  C      -9.280405      1.930454      2.776978
  H      -3.146857     -1.649793      4.511496
  H      -4.159374     -0.477219      3.664510
  H      -1.162706     -0.603554      3.100753
  H      -2.280946     -1.728072      2.319812
  H      -1.801146      0.314596      0.908444
  H      -2.568463      1.330260      2.157844
  H      -5.704532     -1.197415     -0.010124
  H      -6.951225     -0.323882     -1.980392
  H      -5.200871      3.768837     -2.999639
  H      -3.395183      5.226948     -1.992603
  H      -2.132749      4.374378     -0.007836
  H      -2.616780      5.950859      5.229204
  H      -3.831711      5.359194      6.371927
  H      -4.990863      6.266362      4.503300
  H      -5.199651      4.518954      4.404610
  H      -3.105424      4.529257      2.828378
  H      -3.465432      6.259380      2.604561
  H      -5.110911      7.603507      2.340940
  H      -6.982631      8.911830      1.404795
  H      -9.745088      6.009114     -0.868972
  H      -9.729770      3.500175     -1.208861
  H      -7.927768      2.148352     -0.136280
  H      -6.934626      1.196459      7.072180
  H      -6.639720      1.578031      5.366324
  H      -6.465753      4.088215      6.211190
  H      -7.385377      3.506899      7.608140
  H      -8.969252      4.315595      5.931903
  H      -9.103242      2.528193      5.966311
  H      -9.815951      5.172681      3.683309
  H     -11.682848      4.852596      2.055781
  H     -11.448023      0.556129      0.511229
  H      -9.863171     -1.369815      0.908966
  H      -7.955583     -1.051793      2.487514
  N      -4.714283      2.123807      3.858338
  N      -5.577857      2.075768      2.913537
  H      -6.236407      1.298517      2.882355
  H      -5.802036      2.885949      2.322032
102
Coordinates from ORCA-job orca E -6484.764073085258
  N      -2.744983      0.358976      4.975478
  Mo     -3.632883      2.092959      5.271283
  N      -5.031998      1.976047      6.638334
  C      -4.642388      2.028007      8.051687
  C      -3.290511      1.354577      8.231163
  N      -2.355672      1.845770      7.186130
  C      -1.288945      0.865017      6.865916
  C      -1.855890     -0.222371      5.979923
  C      -1.767122      3.171965      7.514840
  C      -1.468737      3.868588      6.193433
  N      -2.687409      3.859781      5.376684
  H      -1.027499     -0.763481      5.493205
  H      -2.410619     -0.976874      6.570742
  H      -0.502526      1.406021      6.322183
  H      -0.844629      0.454101      7.787998
  H      -1.127303      4.901547      6.375200
  H      -0.649369      3.358937      5.659620
  H      -2.516505      3.752320      8.071370
  H      -0.876663      3.050641      8.154681
  H      -5.390184      1.501813      8.670568
  H      -4.610137      3.073385      8.413784
  H      -3.408166      0.270413      8.090158
  H      -2.875734      1.530054      9.238919
  C      -3.160952     -0.664223      4.002858
  C      -2.235433     -0.729969      2.778625
  C      -2.552977      0.325348      1.733111
  O      -3.854828     -0.042826      1.213091
  C      -4.426674      0.531120      0.137050
  C      -5.463085     -0.197204     -0.438879
  C      -6.150995      0.311169     -1.547538
  N      -5.900202      1.482573     -2.117344
  C      -4.898664      2.221840     -1.562829
  C      -4.620981      3.498427     -2.113532
  C      -3.637465      4.282794     -1.555711
  C      -2.922575      3.784140     -0.442637
  N      -3.137225      2.599198      0.105573
  C      -4.111711      1.810343     -0.430853
  C      -3.343645      5.177920      5.355081
  C      -4.428422      5.339022      4.302399
  C      -3.865721      5.269274      2.885880
  O      -4.874877      4.838073      1.953470
  C      -5.832931      5.702045      1.556768
  C      -5.848823      7.074282      1.751909
  C      -6.913907      7.826941      1.201073
  N      -7.917877      7.332803      0.492365
  C      -7.919180      5.978492      0.303929
  C      -8.956778      5.376207     -0.449041
  C      -8.962106      4.006408     -0.614075
  C      -7.948578      3.234570     -0.001584
  N      -6.954756      3.754603      0.704796
  C      -6.919400      5.107718      0.837402
  C      -6.469360      1.936748      6.401218
  C      -7.164607      3.299170      6.558909
  C      -8.439077      3.371382      5.741857
  O      -8.054400      3.265904      4.343219
  C      -9.090872      3.130704      3.467101
  C      -9.961642      4.170792      3.197255
  C     -11.011109      3.975605      2.274657
  N     -11.245674      2.837784      1.640659
  C     -10.382681      1.807448      1.877111
  C     -10.579950      0.581204      1.196997
  C      -9.700235     -0.456987      1.409734
  C      -8.616861     -0.263739      2.297084
  N      -8.388443      0.861482      2.960032
  C      -9.262710      1.894376      2.770404
  H      -3.177780     -1.648012      4.509219
  H      -4.183049     -0.464152      3.667404
  H      -1.195711     -0.610232      3.096928
  H      -2.317284     -1.718918      2.317715
  H      -1.821496      0.321708      0.907422
  H      -2.587253      1.338591      2.157752
  H      -5.715203     -1.175707     -0.028516
  H      -6.955885     -0.284364     -1.991577
  H      -5.212909      3.824316     -2.970508
  H      -3.404502      5.272008     -1.954496
  H      -2.137039      4.395165      0.016622
  H      -2.565555      5.948244      5.186557
  H      -3.781980      5.395865      6.350427
  H      -4.943052      6.297497      4.476886
  H      -5.185151      4.545256      4.410549
  H      -3.096151      4.488184      2.814324
  H      -3.423062      6.227486      2.563572
  H      -5.063256      7.589407      2.304527
  H      -6.921405      8.911617      1.356272
  H      -9.730634      6.019294     -0.874726
  H      -9.745350      3.507736     -1.184870
  H      -7.956967      2.145032     -0.097592
  H      -6.934755      1.203828      7.083626
  H      -6.643608      1.582120      5.378908
  H      -6.483372      4.090807      6.220314
  H      -7.404003      3.509254      7.609407
  H      -8.975375      4.319573      5.914649
  H      -9.117616      2.535071      5.980063
  H      -9.831747      5.138512      3.686079
  H     -11.688900      4.807985      2.052102
  H     -11.427312      0.499840      0.514266
  H      -9.822008     -1.414824      0.904110
  H      -7.905193     -1.078637      2.466954
  N      -4.730860      2.126843      3.867119
  N      -5.602309      2.068238      2.928566
  H      -6.302704      1.317288      2.945148
  H      -5.827316      2.879628      2.333311
102
Coordinates from ORCA-job orca E -6484.764862177318
  N      -2.769941      0.369574      4.963367
  Mo     -3.642182      2.110673      5.267435
  N      -5.041501      1.997882      6.636863
  C      -4.651630      2.044393      8.048830
  C      -3.305984      1.359482      8.225381
  N      -2.369843      1.846687      7.181907
  C      -1.310412      0.859247      6.860261
  C      -1.881251     -0.218210      5.966127
  C      -1.771069      3.165472      7.514435
  C      -1.461400      3.861427      6.197213
  N      -2.675766      3.864827      5.373699
  H      -1.052540     -0.757378      5.475947
  H      -2.436643     -0.976284      6.552258
  H      -0.516513      1.396120      6.324426
  H      -0.873940      0.439269      7.781600
  H      -1.113032      4.889789      6.385054
  H      -0.642103      3.347917      5.667155
  H      -2.517908      3.750241      8.068120
  H      -0.884097      3.035661      8.157819
  H      -5.403677      1.524169      8.665846
  H      -4.610188      3.087523      8.412620
  H      -3.432390      0.278139      8.078431
  H      -2.887526      1.526318      9.232241
  C      -3.191135     -0.652943      3.991559
  C      -2.254452     -0.735858      2.777075
  C      -2.566325      0.308438      1.722436
  O      -3.869462     -0.057072      1.197298
  C      -4.441252      0.528638      0.126565
  C      -5.484128     -0.186832     -0.455506
  C      -6.177218      0.341047     -1.556009
  N      -5.918999      1.516797     -2.116027
  C      -4.905214      2.239897     -1.558954
  C      -4.606739      3.512970     -2.104000
  C      -3.607384      4.279228     -1.545463
  C      -2.901357      3.768017     -0.437097
  N      -3.134320      2.586002      0.105996
  C      -4.120302      1.812102     -0.431488
  C      -3.308315      5.194174      5.340656
  C      -4.400379      5.369074      4.296838
  C      -3.845390      5.260566      2.876962
  O      -4.873280      4.836138      1.960438
  C      -5.821712      5.707748      1.562311
  C      -5.822294      7.079139      1.746344
  C      -6.885394      7.834802      1.198492
  N      -7.900774      7.344774      0.502914
  C      -7.915517      5.991605      0.323361
  C      -8.964397      5.391802     -0.416076
  C      -8.975915      4.026021     -0.579212
  C      -7.959650      3.252870      0.026814
  N      -6.961280      3.769619      0.727769
  C      -6.917969      5.119509      0.854197
  C      -6.479834      1.957068      6.405662
  C      -7.172500      3.324976      6.555254
  C      -8.452298      3.391845      5.746604
  O      -8.075872      3.246515      4.349028
  C      -9.107723      3.097353      3.471996
  C     -10.002526      4.116153      3.209257
  C     -11.045741      3.901424      2.284684
  N     -11.254999      2.762517      1.644833
  C     -10.368794      1.752370      1.875475
  C     -10.538280      0.523544      1.192212
  C      -9.634768     -0.494683      1.400599
  C      -8.554728     -0.278069      2.284060
  N      -8.351687      0.851453      2.946822
  C      -9.250519      1.863219      2.766156
  H      -3.216893     -1.628473      4.503810
  H      -4.212931     -0.449033      3.648036
  H      -1.206799     -0.608505      3.103243
  H      -2.332200     -1.737665      2.320847
  H      -1.833904      0.290635      0.905789
  H      -2.595925      1.323190      2.134763
  H      -5.738419     -1.170470     -0.056532
  H      -6.989127     -0.243729     -2.004080
  H      -5.191601      3.848107     -2.958878
  H      -3.356055      5.263579     -1.940128
  H      -2.102796      4.363937      0.021563
  H      -2.514514      5.945569      5.156763
  H      -3.733706      5.434248      6.336607
  H      -4.890439      6.347658      4.460755
  H      -5.181222      4.592882      4.425032
  H      -3.094243      4.454410      2.813226
  H      -3.377442      6.206259      2.535515
  H      -5.028102      7.589966      2.290039
  H      -6.881788      8.918635      1.345488
  H      -9.739877      6.034463     -0.835582
  H      -9.766455      3.530954     -1.142946
  H      -7.971508      2.165898     -0.066944
  H      -6.945795      1.228447      7.095685
  H      -6.656866      1.595035      5.387248
  H      -6.489833      4.114057      6.202146
  H      -7.406462      3.546686      7.608390
  H      -8.975648      4.349656      5.900802
  H      -9.139339      2.569133      6.008419
  H      -9.896459      5.082733      3.703830
  H     -11.739332      4.718522      2.064495
  H     -11.384270      0.424429      0.511336
  H      -9.734088     -1.454554      0.893656
  H      -7.824107     -1.074895      2.451851
  N      -4.738197      2.152064      3.863189
  N      -5.612040      2.083426      2.927489
  H      -6.351459      1.350797      2.980995
  H      -5.829813      2.897752      2.325621
102
Coordinates from ORCA-job orca E -6484.765652181055
  N      -2.799139      0.361068      4.962063
  Mo     -3.652510      2.110565      5.268722
  N      -5.051701      2.013665      6.641281
  C      -4.659986      2.062901      8.052618
  C      -3.321347      1.364136      8.230620
  N      -2.381881      1.837444      7.183377
  C      -1.334633      0.836099      6.861930
  C      -1.917526     -0.236170      5.968522
  C      -1.768034      3.151241      7.510047
  C      -1.448527      3.838115      6.188583
  N      -2.662315      3.854201      5.363207
  H      -1.091973     -0.785992      5.479143
  H      -2.482457     -0.989053      6.555810
  H      -0.534187      1.362835      6.325012
  H      -0.902786      0.412046      7.783911
  H      -1.087469      4.863724      6.372628
  H      -0.633266      3.311501      5.661528
  H      -2.509449      3.747814      8.060592
  H      -0.883086      3.013534      8.155797
  H      -5.417220      1.554426      8.673131
  H      -4.606452      3.107273      8.411103
  H      -3.458724      0.283583      8.087797
  H      -2.899424      1.530457      9.236115
  C      -3.224776     -0.652703      3.986422
  C      -2.285814     -0.734616      2.773832
  C      -2.585245      0.316437      1.722802
  O      -3.883339     -0.046195      1.183956
  C      -4.452399      0.557596      0.121465
  C      -5.496805     -0.144251     -0.471259
  C      -6.191601      0.403139     -1.561795
  N      -5.935064      1.586814     -2.103707
  C      -4.918177      2.296000     -1.539078
  C      -4.620045      3.575931     -2.068507
  C      -3.615503      4.328165     -1.505712
  C      -2.902229      3.794518     -0.409127
  N      -3.137366      2.607044      0.121498
  C      -4.129432      1.847219     -0.420241
  C      -3.274226      5.193902      5.316320
  C      -4.374383      5.371212      4.280262
  C      -3.832449      5.247497      2.858919
  O      -4.865226      4.824824      1.949407
  C      -5.800835      5.702190      1.539535
  C      -5.778841      7.078002      1.695699
  C      -6.833374      7.838488      1.140724
  N      -7.861693      7.348682      0.465166
  C      -7.899336      5.991014      0.313213
  C      -8.965526      5.389759     -0.401839
  C      -8.997168      4.020981     -0.543089
  C      -7.983156      3.246325      0.062272
  N      -6.972760      3.763248      0.746775
  C      -6.909596      5.115543      0.850299
  C      -6.490783      1.981332      6.411653
  C      -7.174314      3.355427      6.548065
  C      -8.453624      3.418035      5.740636
  O      -8.076484      3.227572      4.347305
  C      -9.104867      3.064453      3.470807
  C     -10.020209      4.064112      3.209965
  C     -11.060299      3.826930      2.285894
  N     -11.249677      2.682588      1.647765
  C     -10.343517      1.690674      1.878501
  C     -10.492196      0.454819      1.201175
  C      -9.568393     -0.545065      1.409684
  C      -8.487776     -0.303224      2.286009
  N      -8.304696      0.833581      2.942921
  C      -9.224927      1.826774      2.764980
  H      -3.258725     -1.628585      4.495489
  H      -4.243262     -0.439008      3.640219
  H      -1.241379     -0.613209      3.104682
  H      -2.365119     -1.732519      2.311398
  H      -1.841942      0.304274      0.909059
  H      -2.619659      1.331838      2.145067
  H      -5.750346     -1.133260     -0.088913
  H      -7.003400     -0.172011     -2.017359
  H      -5.210650      3.927462     -2.915880
  H      -3.363775      5.317211     -1.889131
  H      -2.096704      4.377545      0.050053
  H      -2.470237      5.931400      5.114301
  H      -3.686579      5.455003      6.314422
  H      -4.853460      6.353030      4.439522
  H      -5.160605      4.605316      4.419901
  H      -3.089351      4.438788      2.801342
  H      -3.361352      6.183973      2.508351
  H      -4.973188      7.588113      2.222128
  H      -6.810869      8.926062      1.264465
  H      -9.738626      6.033910     -0.820736
  H      -9.800940      3.525708     -1.089611
  H      -8.008153      2.158037     -0.016019
  H      -6.962465      1.261609      7.107409
  H      -6.669603      1.612524      5.397342
  H      -6.486693      4.135950      6.184576
  H      -7.406681      3.590428      7.598722
  H      -8.965279      4.386015      5.870247
  H      -9.150708      2.610376      6.023885
  H      -9.933086      5.032461      3.704946
  H     -11.768978      4.629794      2.065238
  H     -11.339180      0.336562      0.524118
  H      -9.651239     -1.509679      0.907534
  H      -7.739169     -1.082734      2.451912
  N      -4.748261      2.155872      3.868478
  N      -5.636167      2.077827      2.944810
  H      -6.407733      1.385055      3.050590
  H      -5.856238      2.901378      2.343735
102
Coordinates from ORCA-job orca E -6484.766437353735
  N      -2.830045      0.352509      4.962392
  Mo     -3.674533      2.106150      5.279330
  N      -5.067060      2.019809      6.659519
  C      -4.666962      2.065499      8.068856
  C      -3.331457      1.358555      8.238635
  N      -2.396742      1.829200      7.187243
  C      -1.354533      0.824758      6.859434
  C      -1.939638     -0.242576      5.961367
  C      -1.778964      3.141706      7.510797
  C      -1.458582      3.824372      6.188748
  N      -2.669690      3.841631      5.357814
  H      -1.115537     -0.782072      5.463949
  H      -2.493902     -1.001534      6.544770
  H      -0.552371      1.350418      6.325313
  H      -0.922697      0.394917      7.779024
  H      -1.096713      4.848292      6.372814
  H      -0.643149      3.297209      5.665649
  H      -2.519164      3.741940      8.058266
  H      -0.895075      3.004349      8.159310
  H      -5.424113      1.562366      8.693867
  H      -4.604127      3.109514      8.427396
  H      -3.475796      0.279567      8.093335
  H      -2.901563      1.519825      9.241530
  C      -3.261537     -0.661506      3.978151
  C      -2.321071     -0.752389      2.758209
  C      -2.599754      0.307865      1.708896
  O      -3.896440     -0.028872      1.163301
  C      -4.455798      0.592637      0.103776
  C      -5.505226     -0.092138     -0.499068
  C      -6.183149      0.467484     -1.590434
  N      -5.912483      1.651339     -2.123133
  C      -4.894402      2.346663     -1.548937
  C      -4.588612      3.630656     -2.068650
  C      -3.582941      4.371166     -1.498175
  C      -2.871384      3.817486     -0.405566
  N      -3.115849      2.626054      0.117671
  C      -4.113760      1.880765     -0.430119
  C      -3.271534      5.182965      5.297740
  C      -4.376275      5.353727      4.265931
  C      -3.841914      5.227922      2.846074
  O      -4.867118      4.799715      1.935417
  C      -5.797629      5.677134      1.514036
  C      -5.768403      7.056076      1.651768
  C      -6.820014      7.814778      1.090204
  N      -7.853189      7.320092      0.428273
  C      -7.898436      5.959282      0.294374
  C      -8.970997      5.351086     -0.405009
  C      -9.005835      3.979289     -0.534646
  C      -7.987017      3.209717      0.066370
  N      -6.974799      3.733042      0.742460
  C      -6.909002      5.086673      0.834478
  C      -6.509110      2.005999      6.440315
  C      -7.172065      3.393900      6.574823
  C      -8.452180      3.471059      5.771147
  O      -8.082769      3.241622      4.379620
  C      -9.115243      3.063717      3.510706
  C     -10.055306      4.044173      3.257443
  C     -11.088672      3.787498      2.329141
  N     -11.252087      2.641660      1.683563
  C     -10.323973      1.668218      1.910204
  C     -10.442084      0.432326      1.225430
  C      -9.491861     -0.545017      1.424562
  C      -8.415172     -0.281973      2.300150
  N      -8.263164      0.855036      2.965264
  C      -9.208792      1.826254      2.796673
  H      -3.308953     -1.645483      4.485255
  H      -4.279164     -0.436020      3.633873
  H      -1.275983     -0.653391      3.084344
  H      -2.418340     -1.747064      2.293007
  H      -1.856827      0.286604      0.897980
  H      -2.619058      1.318012      2.130904
  H      -5.773443     -1.079772     -0.125541
  H      -6.996202     -0.095969     -2.053697
  H      -5.178355      3.996176     -2.914637
  H      -3.327181      5.364711     -1.873886
  H      -2.062869      4.389445      0.057014
  H      -2.467344      5.911851      5.079439
  H      -3.671859      5.458301      6.295133
  H      -4.853700      6.328924      4.422161
  H      -5.156186      4.592863      4.410977
  H      -3.097083      4.428117      2.797400
  H      -3.379972      6.160073      2.491319
  H      -4.958538      7.569391      2.166828
  H      -6.790180      8.905295      1.197209
  H      -9.748643      5.991951     -0.819863
  H      -9.812792      3.479115     -1.071348
  H      -8.009820      2.120636     -0.008292
  H      -6.987460      1.294180      7.142615
  H      -6.697014      1.636345      5.428094
  H      -6.471303      4.163019      6.204643
  H      -7.401147      3.637233      7.626961
  H      -8.940783      4.453555      5.883919
  H      -9.167468      2.684035      6.072186
  H      -9.990287      5.013133      3.757093
  H     -11.812778      4.578579      2.108018
  H     -11.286580      0.298062      0.547197
  H      -9.548809     -1.507084      0.913913
  H      -7.641665     -1.038962      2.455992
  N      -4.763674      2.152670      3.875746
  N      -5.626465      2.063231      2.927770
  H      -6.431771      1.406465      3.043643
  H      -5.812858      2.874891      2.304246
102
Coordinates from ORCA-job orca E -6484.767283938287
  N      -2.862592      0.351203      4.958005
  Mo     -3.686206      2.112803      5.276861
  N      -5.075802      2.046399      6.661989
  C      -4.671514      2.099231      8.070744
  C      -3.344521      1.375480      8.241190
  N      -2.407013      1.826361      7.181944
  C      -1.380787      0.804360      6.854594
  C      -1.982945     -0.256967      5.960434
  C      -1.769080      3.132704      7.494293
  C      -1.441134      3.803622      6.167922
  N      -2.653166      3.833179      5.339397
  H      -1.164679     -0.813392      5.465227
  H      -2.552478     -1.006801      6.547793
  H      -0.570311      1.315423      6.317441
  H      -0.955091      0.370108      7.775105
  H      -1.064625      4.823629      6.346016
  H      -0.634225      3.263556      5.646153
  H      -2.499332      3.747097      8.039270
  H      -0.886539      2.987340      8.141282
  H      -5.433182      1.610658      8.703060
  H      -4.594195      3.146219      8.420825
  H      -3.503832      0.296391      8.104560
  H      -2.908926      1.538658      9.241805
  C      -3.296386     -0.652811      3.975041
  C      -2.351561     -0.750263      2.768474
  C      -2.625623      0.308178      1.715828
  O      -3.919209     -0.035641      1.150674
  C      -4.473211      0.604180      0.101019
  C      -5.526301     -0.066260     -0.510733
  C      -6.207229      0.514155     -1.588988
  N      -5.931734      1.703272     -2.103805
  C      -4.904163      2.381383     -1.524583
  C      -4.586210      3.665498     -2.029471
  C      -3.563292      4.384213     -1.458909
  C      -2.849829      3.810752     -0.379025
  N      -3.108174      2.620224      0.132244
  C      -4.121031      1.894603     -0.416760
  C      -3.228821      5.183177      5.269708
  C      -4.341045      5.361900      4.248490
  C      -3.823787      5.209926      2.824907
  O      -4.868405      4.788834      1.931745
  C      -5.793554      5.673314      1.519456
  C      -5.749803      7.049452      1.656551
  C      -6.800303      7.816899      1.103164
  N      -7.845064      7.333722      0.449943
  C      -7.904160      5.975529      0.317060
  C      -8.987542      5.378489     -0.374103
  C      -9.034623      4.007397     -0.502476
  C      -8.016714      3.227539      0.091235
  N      -6.994986      3.741931      0.759922
  C      -6.917456      5.094081      0.849776
  C      -6.517059      2.039133      6.441844
  C      -7.172229      3.431895      6.555562
  C      -8.453341      3.502219      5.749499
  O      -8.089718      3.229655      4.364677
  C      -9.121445      3.027718      3.501829
  C     -10.090283      3.979941      3.251510
  C     -11.115083      3.695981      2.321759
  N     -11.246683      2.548526      1.674516
  C     -10.293497      1.600639      1.902132
  C     -10.380156      0.361551      1.219786
  C      -9.405296     -0.589771      1.419453
  C      -8.332877     -0.296797      2.291493
  N      -8.211083      0.844740      2.954830
  C      -9.182679      1.789395      2.787215
  H      -3.354238     -1.633404      4.480856
  H      -4.308399     -0.417949      3.623005
  H      -1.307713     -0.651936      3.103309
  H      -2.446885     -1.742796      2.308421
  H      -1.869743      0.289090      0.917033
  H      -2.654437      1.321618      2.137441
  H      -5.799612     -1.057176     -0.152410
  H      -7.028681     -0.035890     -2.055968
  H      -5.177026      4.046105     -2.866309
  H      -3.295593      5.375008     -1.825729
  H      -2.027048      4.364668      0.082456
  H      -2.414919      5.894067      5.035391
  H      -3.612088      5.475764      6.265976
  H      -4.797955      6.347983      4.398911
  H      -5.133771      4.617828      4.409927
  H      -3.092563      4.396817      2.776106
  H      -3.349678      6.129625      2.455348
  H      -4.929661      7.554676      2.164532
  H      -6.758879      8.905334      1.209392
  H      -9.764356      6.026628     -0.783968
  H      -9.850015      3.515642     -1.033057
  H      -8.047890      2.138170      0.015482
  H      -6.998002      1.339838      7.153467
  H      -6.707109      1.655432      5.432749
  H      -6.468329      4.190793      6.175673
  H      -7.399078      3.690123      7.603182
  H      -8.930569      4.492487      5.835670
  H      -9.176997      2.731523      6.070776
  H     -10.053138      4.948389      3.752367
  H     -11.859866      4.466831      2.100116
  H     -11.221865      0.204002      0.542939
  H      -9.439387     -1.553308      0.910815
  H      -7.537497     -1.030394      2.446773
  N      -4.779945      2.160452      3.878056
  N      -5.645566      2.064720      2.931694
  H      -6.473761      1.435300      3.069600
  H      -5.815936      2.860883      2.290980
102
Coordinates from ORCA-job orca E -6484.768082569035
  N      -2.890087      0.350135      4.955309
  Mo     -3.695856      2.118770      5.274483
  N      -5.087789      2.065458      6.657315
  C      -4.683713      2.119040      8.065684
  C      -3.362847      1.384176      8.239100
  N      -2.420955      1.822768      7.179930
  C      -1.405877      0.788511      6.855896
  C      -2.017952     -0.267574      5.960961
  C      -1.770970      3.122649      7.487230
  C      -1.434036      3.783373      6.158617
  N      -2.643899      3.823766      5.327006
  H      -1.201700     -0.834111      5.468335
  H      -2.598612     -1.011337      6.549892
  H      -0.586929      1.288180      6.320475
  H      -0.988827      0.349283      7.778229
  H      -1.046480      4.799280      6.331860
  H      -0.632002      3.231474      5.641620
  H      -2.495716      3.747046      8.027795
  H      -0.890319      2.971833      8.135478
  H      -5.449110      1.639149      8.698652
  H      -4.598152      3.165613      8.413198
  H      -3.531592      0.306469      8.105674
  H      -2.926673      1.546114      9.239409
  C      -3.325156     -0.644012      3.970560
  C      -2.364644     -0.751491      2.779762
  C      -2.610853      0.312951      1.729713
  O      -3.897175     -0.019776      1.139313
  C      -4.442564      0.629925      0.095055
  C      -5.505520     -0.031402     -0.517187
  C      -6.196564      0.564126     -1.583585
  N      -5.912794      1.755748     -2.090076
  C      -4.869387      2.421045     -1.514893
  C      -4.535518      3.701460     -2.016124
  C      -3.495406      4.406362     -1.451810
  C      -2.787134      3.827296     -0.378655
  N      -3.059216      2.639814      0.130022
  C      -4.083268      1.923063     -0.415231
  C      -3.188818      5.185639      5.235760
  C      -4.302851      5.374804      4.219296
  C      -3.797966      5.188021      2.794332
  O      -4.860209      4.772731      1.919663
  C      -5.782266      5.662524      1.516410
  C      -5.725215      7.037721      1.648275
  C      -6.780187      7.810022      1.110092
  N      -7.841957      7.332053      0.478607
  C      -7.913494      5.974791      0.350509
  C      -9.014382      5.382121     -0.317723
  C      -9.067091      4.011654     -0.449027
  C      -8.038563      3.227611      0.121596
  N      -7.003716      3.737573      0.775087
  C      -6.920859      5.088966      0.865458
  C      -6.528330      2.071015      6.434037
  C      -7.169299      3.469034      6.526694
  C      -8.457696      3.538281      5.725719
  O      -8.117506      3.212510      4.347584
  C      -9.163340      2.992998      3.505359
  C     -10.163584      3.916869      3.283785
  C     -11.196592      3.609594      2.368590
  N     -11.310562      2.463606      1.713493
  C     -10.331183      1.539966      1.920345
  C     -10.401295      0.298574      1.238571
  C      -9.399799     -0.628684      1.417404
  C      -8.317004     -0.307959      2.266036
  N      -8.212845      0.836740      2.929572
  C      -9.209422      1.756447      2.784539
  H      -3.403113     -1.618940      4.475131
  H      -4.327827     -0.397080      3.602071
  H      -1.324534     -0.662745      3.131974
  H      -2.463360     -1.741861      2.311275
  H      -1.839907      0.294321      0.942809
  H      -2.640048      1.325046      2.161598
  H      -5.786010     -1.024067     -0.165249
  H      -7.033718      0.024462     -2.046892
  H      -5.125008      4.088345     -2.846289
  H      -3.214593      5.392308     -1.818008
  H      -1.952643      4.371441      0.078469
  H      -2.361263      5.873051      4.981868
  H      -3.557513      5.504764      6.227908
  H      -4.733451      6.376988      4.357078
  H      -5.114873      4.654353      4.398056
  H      -3.081799      4.359467      2.750380
  H      -3.308884      6.092478      2.404394
  H      -4.892173      7.538635      2.141018
  H      -6.728181      8.897873      1.211651
  H      -9.800133      6.031632     -0.708744
  H      -9.895838      3.523377     -0.963733
  H      -8.072255      2.138281      0.040232
  H      -7.013847      1.387587      7.154205
  H      -6.722168      1.675464      5.429759
  H      -6.459165      4.213188      6.132867
  H      -7.387439      3.744650      7.570282
  H      -8.911221      4.539440      5.783112
  H      -9.195713      2.794503      6.077063
  H     -10.142019      4.880998      3.793262
  H     -11.965292      4.359562      2.166689
  H     -11.252354      0.119044      0.579276
  H      -9.421920     -1.593398      0.909717
  H      -7.496841     -1.017891      2.402554
  N      -4.779079      2.171807      3.866395
  N      -5.628421      2.068586      2.907171
  H      -6.476077      1.453972      3.047586
  H      -5.782012      2.872668      2.263396
102
Coordinates from ORCA-job orca E -6484.768963193254
  N      -2.923771      0.340631      4.955928
  Mo     -3.721695      2.113520      5.281564
  N      -5.108912      2.076314      6.669381
  C      -4.697591      2.134564      8.074394
  C      -3.384017      1.387428      8.246206
  N      -2.442129      1.809566      7.181826
  C      -1.439085      0.765331      6.856130
  C      -2.062958     -0.282800      5.961434
  C      -1.776023      3.104087      7.475389
  C      -1.431412      3.746369      6.139183
  N      -2.642331      3.800668      5.308692
  H      -1.257376     -0.855769      5.472185
  H      -2.651521     -1.016507      6.545657
  H      -0.617140      1.256471      6.318731
  H      -1.023510      0.321850      7.776510
  H      -1.025244      4.757814      6.299746
  H      -0.639793      3.174155      5.626285
  H      -2.491563      3.743299      8.010520
  H      -0.895920      2.949035      8.123083
  H      -5.464820      1.666691      8.713166
  H      -4.598973      3.181061      8.415743
  H      -3.564636      0.311438      8.120807
  H      -2.942554      1.551365      9.243314
  C      -3.339362     -0.650070      3.956267
  C      -2.353556     -0.742606      2.779554
  C      -2.591688      0.329428      1.736328
  O      -3.866911     -0.003363      1.130368
  C      -4.422066      0.665813      0.103354
  C      -5.494166      0.016544     -0.509852
  C      -6.190825      0.630536     -1.560127
  N      -5.907515      1.831264     -2.048113
  C      -4.856031      2.483754     -1.472930
  C      -4.519797      3.771117     -1.957584
  C      -3.468593      4.461127     -1.396173
  C      -2.750271      3.859387     -0.342870
  N      -3.024293      2.665008      0.151308
  C      -4.060675      1.964428     -0.390981
  C      -3.146224      5.178882      5.186499
  C      -4.266978      5.378471      4.178675
  C      -3.786697      5.139882      2.750433
  O      -4.875273      4.737481      1.900761
  C      -5.784137      5.639846      1.495232
  C      -5.702387      7.015735      1.602568
  C      -6.753970      7.795490      1.068953
  N      -7.833688      7.325099      0.464540
  C      -7.927066      5.968263      0.357222
  C      -9.045260      5.382301     -0.284291
  C      -9.112030      4.012597     -0.404362
  C      -8.081863      3.222161      0.152569
  N      -7.034820      3.725245      0.788515
  C      -6.938446      5.075575      0.866535
  C      -6.549487      2.100888      6.448535
  C      -7.160692      3.514647      6.500002
  C      -8.452685      3.589059      5.705144
  O      -8.131497      3.189353      4.343202
  C      -9.183554      2.955474      3.516732
  C     -10.207708      3.857067      3.308938
  C     -11.236718      3.535364      2.395482
  N     -11.327435      2.395297      1.731246
  C     -10.328737      1.490128      1.930458
  C     -10.375903      0.252273      1.242465
  C      -9.354020     -0.655573      1.410054
  C      -8.272838     -0.316843      2.254343
  N      -8.192607      0.824295      2.926166
  C      -9.208565      1.723454      2.790987
  H      -3.421871     -1.632514      4.448332
  H      -4.339221     -0.404399      3.574855
  H      -1.317391     -0.647172      3.149377
  H      -2.435513     -1.734149      2.298357
  H      -1.814664      0.324544      0.959627
  H      -2.631426      1.333530      2.175491
  H      -5.774283     -0.982714     -0.172060
  H      -7.029049      0.097664     -2.026429
  H      -5.117658      4.175511     -2.773134
  H      -3.186556      5.452430     -1.750637
  H      -1.906034      4.391078      0.110808
  H      -2.299039      5.834446      4.901766
  H      -3.492068      5.538030      6.176399
  H      -4.660445      6.401187      4.297622
  H      -5.104230      4.690339      4.385407
  H      -3.096528      4.286245      2.712623
  H      -3.271686      6.019946      2.331533
  H      -4.854914      7.511335      2.073692
  H      -6.682608      8.883488      1.150839
  H      -9.831321      6.035136     -0.667008
  H      -9.953586      3.530268     -0.900611
  H      -8.123336      2.133638      0.073893
  H      -7.046197      1.447326      7.189314
  H      -6.751925      1.681279      5.456247
  H      -6.435275      4.229873      6.076872
  H      -7.366409      3.829752      7.537095
  H      -8.870624      4.606435      5.719880
  H      -9.212409      2.887928      6.092603
  H     -10.204792      4.815812      3.823860
  H     -12.021916      4.270433      2.200772
  H     -11.226496      0.058598      0.586579
  H      -9.359871     -1.617484      0.896684
  H      -7.432899     -1.006825      2.380834
  N      -4.803389      2.164936      3.874439
  N      -5.652385      2.045612      2.915252
  H      -6.513318      1.453728      3.073630
  H      -5.790678      2.836577      2.252579
102
Coordinates from ORCA-job orca E -6484.769676755055
  N      -2.946809      0.328554      4.954435
  Mo     -3.743838      2.105464      5.285557
  N      -5.125068      2.082462      6.678634
  C      -4.703740      2.149480      8.081225
  C      -3.393772      1.396495      8.251246
  N      -2.454441      1.803634      7.178917
  C      -1.460359      0.750217      6.857251
  C      -2.092277     -0.297859      5.967606
  C      -1.779723      3.099101      7.454581
  C      -1.437866      3.724207      6.109866
  N      -2.651829      3.780307      5.282151
  H      -1.288922     -0.881870      5.483559
  H      -2.688563     -1.022548      6.555876
  H      -0.634756      1.231582      6.316610
  H      -1.047322      0.307804      7.780023
  H      -1.022507      4.733923      6.256551
  H      -0.654324      3.139467      5.600283
  H      -2.488075      3.749399      7.985591
  H      -0.897001      2.947363      8.099456
  H      -5.469116      1.689530      8.729207
  H      -4.597593      3.198791      8.415337
  H      -3.581679      0.320009      8.136209
  H      -2.946902      1.566519      9.245809
  C      -3.351227     -0.659678      3.944395
  C      -2.348869     -0.753421      2.780431
  C      -2.566677      0.330209      1.742811
  O      -3.831719      0.003236      1.109546
  C      -4.382376      0.708973      0.101676
  C      -5.465046      0.098507     -0.527469
  C      -6.148400      0.753362     -1.560633
  N      -5.849208      1.962087     -2.014043
  C      -4.789666      2.576811     -1.423266
  C      -4.434173      3.870551     -1.874953
  C      -3.361967      4.516102     -1.306308
  C      -2.638792      3.860890     -0.279433
  N      -2.936598      2.662740      0.188935
  C      -3.997414      2.009206     -0.360783
  C      -3.127128      5.165324      5.130225
  C      -4.254677      5.367437      4.129016
  C      -3.795551      5.089828      2.700531
  O      -4.895765      4.684897      1.866951
  C      -5.807958      5.584818      1.459774
  C      -5.725929      6.962771      1.549792
  C      -6.787772      7.735489      1.027788
  N      -7.877942      7.256763      0.452417
  C      -7.969877      5.898166      0.357961
  C      -9.098506      5.302834     -0.254371
  C      -9.158800      3.931270     -0.369286
  C      -8.110311      3.149601      0.160274
  N      -7.054826      3.660435      0.774872
  C      -6.968184      5.012070      0.851608
  C      -6.567177      2.128225      6.465577
  C      -7.142300      3.559118      6.479089
  C      -8.439847      3.653959      5.696309
  O      -8.155925      3.183058      4.351325
  C      -9.227793      2.945451      3.556918
  C     -10.276068      3.831623      3.386691
  C     -11.315520      3.505962      2.487160
  N     -11.395626      2.377421      1.802655
  C     -10.376503      1.485911      1.970021
  C     -10.408902      0.262275      1.258006
  C      -9.363139     -0.626889      1.385871
  C      -8.274992     -0.283767      2.219992
  N      -8.211420      0.842105      2.917447
  C      -9.246253      1.723563      2.815371
  H      -3.447437     -1.646387      4.429916
  H      -4.343409     -0.405288      3.549085
  H      -1.317306     -0.673539      3.163540
  H      -2.435578     -1.738439      2.292609
  H      -1.772925      0.338898      0.982158
  H      -2.618688      1.330382      2.192715
  H      -5.763465     -0.901412     -0.215555
  H      -6.989048      0.249138     -2.041338
  H      -5.034824      4.314798     -2.673499
  H      -3.062261      5.509883     -1.637566
  H      -1.772983      4.354003      0.174663
  H      -2.268850      5.794249      4.817408
  H      -3.450235      5.557526      6.116057
  H      -4.620698      6.401583      4.231479
  H      -5.106580      4.705393      4.357443
  H      -3.118746      4.224210      2.674191
  H      -3.268481      5.952072      2.254447
  H      -4.872278      7.464791      1.999749
  H      -6.715744      8.825033      1.095570
  H      -9.896598      5.948527     -0.621218
  H     -10.007804      3.441741     -0.844527
  H      -8.142230      2.061592      0.075521
  H      -7.071206      1.507239      7.230381
  H      -6.785141      1.684737      5.487006
  H      -6.399485      4.240562      6.028548
  H      -7.328926      3.911937      7.509270
  H      -8.808483      4.690089      5.671741
  H      -9.224690      3.006668      6.121711
  H     -10.279980      4.783186      3.914720
  H     -12.118671      4.231133      2.319107
  H     -11.266685      0.063875      0.612586
  H      -9.356758     -1.576217      0.849940
  H      -7.413491     -0.954409      2.314786
  N      -4.812084      2.151865      3.871423
  N      -5.616852      2.015177      2.875081
  H      -6.483005      1.422026      2.999854
  H      -5.717077      2.794760      2.193528
102
Coordinates from ORCA-job orca E -6484.770553739430
  N      -2.970269      0.321450      4.967947
  Mo     -3.756746      2.105037      5.299069
  N      -5.135519      2.098937      6.695200
  C      -4.712218      2.177441      8.097313
  C      -3.410647      1.410667      8.271659
  N      -2.468053      1.795402      7.192748
  C      -1.488955      0.723754      6.883080
  C      -2.134383     -0.318130      5.996062
  C      -1.777894      3.085942      7.455787
  C      -1.430609      3.696620      6.106555
  N      -2.644687      3.763239      5.277622
  H      -1.335631     -0.922217      5.522733
  H      -2.750581     -1.027171      6.586525
  H      -0.652520      1.186955      6.342915
  H      -1.088628      0.280051      7.811255
  H      -1.003953      4.700675      6.246509
  H      -0.655464      3.099419      5.601138
  H      -2.478557      3.749481      7.981788
  H      -0.895305      2.929406      8.101419
  H      -5.481234      1.731266      8.752130
  H      -4.594753      3.229981      8.421624
  H      -3.611470      0.334787      8.167457
  H      -2.960508      1.585172      9.264636
  C      -3.360334     -0.656188      3.928822
  C      -2.338583     -0.736174      2.774979
  C      -2.546606      0.355214      1.740535
  O      -3.802857      0.028901      1.092852
  C      -4.367316      0.740760      0.094889
  C      -5.451395      0.126929     -0.525593
  C      -6.145919      0.785432     -1.547641
  N      -5.857805      2.002070     -1.996735
  C      -4.793199      2.617619     -1.417738
  C      -4.441875      3.915769     -1.869769
  C      -3.361612      4.561463     -1.315973
  C      -2.626412      3.902331     -0.303499
  N      -2.919180      2.699652      0.165766
  C      -3.988667      2.046048     -0.369063
  C      -3.089603      5.152812      5.104712
  C      -4.217409      5.362674      4.106864
  C      -3.774032      5.068056      2.681348
  O      -4.881307      4.668055      1.858534
  C      -5.789638      5.574277      1.454168
  C      -5.686660      6.953198      1.532961
  C      -6.745309      7.739731      1.020592
  N      -7.851960      7.272332      0.465710
  C      -7.965111      5.912014      0.381179
  C      -9.114106      5.328857     -0.208387
  C      -9.194707      3.954875     -0.316793
  C      -8.146387      3.160029      0.196161
  N      -7.074145      3.659085      0.794114
  C      -6.967382      5.012520      0.864693
  C      -6.576979      2.155977      6.475825
  C      -7.134640      3.594062      6.437625
  C      -8.428036      3.690442      5.650219
  O      -8.161709      3.138115      4.329547
  C      -9.237001      2.897155      3.543525
  C     -10.300676      3.771564      3.388720
  C     -11.346926      3.429905      2.503567
  N     -11.422409      2.295344      1.820460
  C     -10.388848      1.416762      1.973594
  C     -10.415469      0.189703      1.264645
  C      -9.354679     -0.684940      1.375597
  C      -8.259612     -0.324138      2.190158
  N      -8.200692      0.804671      2.885901
  C      -9.248769      1.672736      2.800616
  H      -3.472312     -1.654777      4.397632
  H      -4.342492     -0.392763      3.517799
  H      -1.314142     -0.660270      3.172607
  H      -2.418813     -1.715145      2.279388
  H      -1.749056      0.372363      0.990936
  H      -2.605207      1.348329      2.193779
  H      -5.744424     -0.876910     -0.213629
  H      -6.991210      0.279699     -2.020673
  H      -5.050687      4.362037     -2.657839
  H      -3.064858      5.558647     -1.647665
  H      -1.756784      4.396796      0.140241
  H      -2.222131      5.756903      4.778381
  H      -3.395963      5.564678      6.085004
  H      -4.567621      6.398578      4.200323
  H      -5.073233      4.716599      4.343104
  H      -3.107874      4.198605      2.659021
  H      -3.244118      5.917690      2.221637
  H      -4.817750      7.445980      1.966656
  H      -6.655880      8.830500      1.078731
  H      -9.909233      5.984893     -0.566588
  H     -10.059380      3.474639     -0.775774
  H      -8.190759      2.070973      0.109380
  H      -7.091338      1.567083      7.258425
  H      -6.796341      1.683530      5.511363
  H      -6.382810      4.245747      5.968368
  H      -7.315622      3.984275      7.451636
  H      -8.760314      4.739481      5.572727
  H      -9.233257      3.094049      6.110942
  H     -10.312500      4.727260      3.916953
  H     -12.162753      4.145958      2.348436
  H     -11.280235     -0.023747      0.634405
  H      -9.343508     -1.635803      0.841245
  H      -7.387761     -0.982195      2.268874
  N      -4.834725      2.152165      3.890085
  N      -5.637518      2.008769      2.892317
  H      -6.516859      1.449934      3.034674
  H      -5.727999      2.784289      2.205647
102
Coordinates from ORCA-job orca E -6484.771459861687
  N      -2.993255      0.310326      4.972823
  Mo     -3.771042      2.098971      5.292317
  N      -5.144425      2.110853      6.695507
  C      -4.716544      2.193028      8.094383
  C      -3.421393      1.415132      8.265871
  N      -2.478956      1.785785      7.181531
  C      -1.508416      0.705619      6.874948
  C      -2.165715     -0.332045      5.991839
  C      -1.779635      3.072558      7.435831
  C      -1.426558      3.671940      6.082822
  N      -2.642147      3.747260      5.255251
  H      -1.383194     -0.938335      5.518420
  H      -2.783724     -1.031371      6.578666
  H      -0.670046      1.160433      6.331618
  H      -1.110624      0.261981      7.802963
  H      -0.989096      4.672176      6.216849
  H      -0.658544      3.062177      5.579720
  H      -2.476022      3.744284      7.957594
  H      -0.897577      2.912993      8.081586
  H      -5.487248      1.755395      8.752942
  H      -4.589207      3.244667      8.414750
  H      -3.633238      0.341740      8.167091
  H      -2.966219      1.589849      9.255374
  C      -3.369760     -0.660435      3.935962
  C      -2.331290     -0.732896      2.801528
  C      -2.513064      0.363643      1.772663
  O      -3.747005      0.033810      1.089133
  C      -4.300834      0.747652      0.095876
  C      -5.391221      0.140094     -0.520600
  C      -6.095555      0.808515     -1.529379
  N      -5.808542      2.027673     -1.969126
  C      -4.733815      2.635732     -1.396083
  C      -4.387580      3.940214     -1.835128
  C      -3.299950      4.579050     -1.287591
  C      -2.555077      3.909875     -0.292293
  N      -2.844749      2.702880      0.166996
  C      -3.919260      2.053387     -0.362570
  C      -3.060640      5.143670      5.058415
  C      -4.189804      5.362037      4.064725
  C      -3.766530      5.063726      2.636005
  O      -4.884217      4.662484      1.828783
  C      -5.804641      5.562641      1.448779
  C      -5.702862      6.938514      1.538537
  C      -6.771535      7.727007      1.051978
  N      -7.886329      7.263474      0.509441
  C      -7.997682      5.905312      0.411639
  C      -9.153683      5.328790     -0.171081
  C      -9.232816      3.958178     -0.293995
  C      -8.177631      3.159340      0.199305
  N      -7.098554      3.651421      0.789936
  C      -6.991535      5.003370      0.872616
  C      -6.585891      2.184871      6.477753
  C      -7.115866      3.630737      6.398216
  C      -8.412299      3.734319      5.618421
  O      -8.177736      3.124539      4.315485
  C      -9.265768      2.875553      3.550228
  C     -10.349349      3.726819      3.431357
  C     -11.407315      3.376998      2.565247
  N     -11.477755      2.252465      1.868586
  C     -10.426811      1.393020      1.989014
  C     -10.450065      0.173322      1.268908
  C      -9.375276     -0.685521      1.350175
  C      -8.271405     -0.315796      2.146248
  N      -8.212145      0.807999      2.850079
  C      -9.273174      1.660416      2.793759
  H      -3.485225     -1.656033      4.400756
  H      -4.343964     -0.394709      3.509568
  H      -1.320368     -0.658186      3.222634
  H      -2.400560     -1.704863      2.294328
  H      -1.693387      0.397412      1.039912
  H      -2.591456      1.352148      2.243677
  H      -5.690049     -0.861198     -0.209653
  H      -6.956000      0.311439     -1.995510
  H      -5.007679      4.398049     -2.607918
  H      -3.007572      5.580800     -1.609251
  H      -1.683516      4.400470      0.149624
  H      -2.183371      5.727147      4.720796
  H      -3.356002      5.574801      6.034513
  H      -4.529595      6.399736      4.157585
  H      -5.047984      4.724239      4.308199
  H      -3.102137      4.198652      2.602676
  H      -3.247552      5.909509      2.168515
  H      -4.826144      7.428163      1.962202
  H      -6.683873      8.815582      1.120167
  H      -9.953351      5.987030     -0.514902
  H     -10.103095      3.482874     -0.747121
  H      -8.221902      2.071455      0.102222
  H      -7.109968      1.627753      7.277477
  H      -6.814527      1.687807      5.528880
  H      -6.352228      4.250112      5.903393
  H      -7.281038      4.058401      7.399523
  H      -8.710649      4.790563      5.506660
  H      -9.232845      3.182364      6.109756
  H     -10.370861      4.672952      3.971604
  H     -12.238173      4.077389      2.438095
  H     -11.323905     -0.048841      0.655254
  H      -9.361366     -1.630753      0.806695
  H      -7.393576     -0.964809      2.204114
  N      -4.858986      2.143350      3.889644
  N      -5.662721      1.997243      2.893457
  H      -6.536811      1.432349      3.040738
  H      -5.759738      2.777992      2.212450
102
Coordinates from ORCA-job orca E -6484.772367482262
  N      -3.010408      0.310074      4.974943
  Mo     -3.784551      2.102286      5.294546
  N      -5.150115      2.121352      6.705671
  C      -4.715035      2.211219      8.100924
  C      -3.422461      1.430236      8.269916
  N      -2.485132      1.789619      7.178506
  C      -1.523939      0.700288      6.878299
  C      -2.194020     -0.337929      6.003124
  C      -1.778210      3.073884      7.421714
  C      -1.426697      3.661200      6.064244
  N      -2.645878      3.740256      5.240998
  H      -1.416047     -0.965686      5.536379
  H      -2.827352     -1.023244      6.599077
  H      -0.681494      1.143489      6.331218
  H      -1.130596      0.260259      7.809911
  H      -0.980921      4.659553      6.190907
  H      -0.665705      3.041520      5.561556
  H      -2.468724      3.752204      7.941216
  H      -0.894566      2.913961      8.064357
  H      -5.482566      1.778922      8.764767
  H      -4.583371      3.263342      8.415589
  H      -3.639583      0.357683      8.177083
  H      -2.960252      1.607745      9.255694
  C      -3.379149     -0.654470      3.937891
  C      -2.328355     -0.722939      2.817213
  C      -2.504896      0.377520      1.787410
  O      -3.724910      0.042029      1.080365
  C      -4.277464      0.770489      0.097054
  C      -5.379135      0.184764     -0.522373
  C      -6.075327      0.871512     -1.524808
  N      -5.768767      2.087188     -1.956029
  C      -4.683697      2.673893     -1.380078
  C      -4.313525      3.972621     -1.811078
  C      -3.207572      4.584416     -1.266551
  C      -2.469197      3.894033     -0.280969
  N      -2.782838      2.693471      0.173451
  C      -3.875488      2.070942     -0.353662
  C      -3.037439      5.141810      5.014535
  C      -4.170105      5.368758      4.025872
  C      -3.761732      5.040975      2.595955
  O      -4.892871      4.640446      1.804800
  C      -5.816294      5.543182      1.433604
  C      -5.709714      6.918416      1.518718
  C      -6.784515      7.708352      1.050036
  N      -7.908619      7.246419      0.526736
  C      -8.022407      5.889289      0.429504
  C      -9.187530      5.316003     -0.136524
  C      -9.269867      3.947331     -0.260565
  C      -8.206917      3.148250      0.212890
  N      -7.118143      3.636694      0.788128
  C      -7.010915      4.986427      0.874235
  C      -6.591110      2.196974      6.494722
  C      -7.103938      3.643228      6.372672
  C      -8.410949      3.739477      5.607061
  O      -8.206235      3.071206      4.332307
  C      -9.300752      2.827735      3.580830
  C     -10.396736      3.667824      3.495947
  C     -11.459698      3.330786      2.632377
  N     -11.522897      2.227979      1.905467
  C     -10.460541      1.376013      1.994676
  C     -10.476930      0.177150      1.242060
  C      -9.393992     -0.676615      1.296477
  C      -8.288558     -0.323264      2.101249
  N      -8.233289      0.782622      2.831650
  C      -9.301993      1.630407      2.798298
  H      -3.496845     -1.648854      4.399912
  H      -4.347914     -0.383916      3.503077
  H      -1.319820     -0.645103      3.249899
  H      -2.387244     -1.698173      2.310192
  H      -1.671980      0.422153      1.070468
  H      -2.600631      1.365079      2.259775
  H      -5.690973     -0.813952     -0.219018
  H      -6.941320      0.390541     -1.995240
  H      -4.927697      4.446827     -2.577756
  H      -2.894140      5.579726     -1.583420
  H      -1.579355      4.360152      0.157261
  H      -2.148628      5.698228      4.658075
  H      -3.315640      5.600741      5.984573
  H      -4.488752      6.418257      4.107035
  H      -5.042325      4.748962      4.287269
  H      -3.107974      4.163117      2.568155
  H      -3.233430      5.874374      2.108049
  H      -4.825538      7.405486      1.928153
  H      -6.694483      8.796029      1.116647
  H      -9.991069      5.974996     -0.467118
  H     -10.147914      3.473125     -0.699368
  H      -8.254792      2.061728      0.114450
  H      -7.112581      1.671893      7.316066
  H      -6.832021      1.666325      5.564876
  H      -6.337865      4.236337      5.844780
  H      -7.244567      4.108861      7.362777
  H      -8.682972      4.795853      5.451579
  H      -9.238605      3.230279      6.130273
  H     -10.425759      4.597747      4.058928
  H     -12.300502      4.025665      2.532096
  H     -11.353441     -0.035027      0.626241
  H      -9.375397     -1.606765      0.728214
  H      -7.406802     -0.973291      2.145128
  N      -4.870691      2.150093      3.894034
  N      -5.667584      1.993634      2.892132
  H      -6.552693      1.449854      3.052034
  H      -5.759444      2.770142      2.206987
102
Coordinates from ORCA-job orca E -6484.773146758276
  N      -3.018578      0.303435      4.980801
  Mo     -3.791302      2.097674      5.298348
  N      -5.158888      2.127996      6.710108
  C      -4.725405      2.226558      8.105027
  C      -3.437123      1.438744      8.280578
  N      -2.496839      1.784649      7.186266
  C      -1.542840      0.685683      6.897168
  C      -2.218600     -0.349729      6.023172
  C      -1.782542      3.066276      7.422281
  C      -1.424739      3.644318      6.062354
  N      -2.643187      3.726561      5.237231
  H      -1.442602     -0.991927      5.567031
  H      -2.867107     -1.023399      6.619533
  H      -0.693928      1.118590      6.351788
  H      -1.158473      0.247970      7.833466
  H      -0.973490      4.640949      6.186074
  H      -0.666435      3.017431      5.563446
  H      -2.470824      3.751216      7.936607
  H      -0.901016      2.904677      8.067275
  H      -5.496011      1.803885      8.771811
  H      -4.587893      3.280710      8.411763
  H      -3.661165      0.366757      8.194233
  H      -2.973168      1.619425      9.265056
  C      -3.371515     -0.652422      3.924542
  C      -2.304582     -0.710890      2.817591
  C      -2.477599      0.393596      1.789906
  O      -3.684266      0.044394      1.063818
  C      -4.250741      0.785291      0.092023
  C      -5.360999      0.209453     -0.521071
  C      -6.063673      0.906713     -1.514432
  N      -5.756813      2.123821     -1.942478
  C      -4.663528      2.701407     -1.373849
  C      -4.286001      3.997327     -1.805353
  C      -3.167295      4.596449     -1.272808
  C      -2.423248      3.895238     -0.298307
  N      -2.742414      2.696146      0.156782
  C      -3.847916      2.086815     -0.358089
  C      -3.014326      5.126916      4.987985
  C      -4.148635      5.354039      4.001908
  C      -3.751730      5.013207      2.570420
  O      -4.891510      4.612889      1.788403
  C      -5.819188      5.520995      1.428077
  C      -5.708881      6.896898      1.516606
  C      -6.789460      7.692209      1.068955
  N      -7.922456      7.234365      0.561620
  C      -8.038943      5.877185      0.458597
  C      -9.215464      5.309295     -0.089984
  C      -9.304257      3.940837     -0.219825
  C      -8.233391      3.137280      0.228967
  N      -7.133740      3.620408      0.788255
  C      -7.022178      4.969463      0.882185
  C      -6.601391      2.221783      6.497100
  C      -7.090243      3.672519      6.328826
  C      -8.403109      3.779935      5.573299
  O      -8.234245      3.060695      4.326848
  C      -9.332956      2.817527      3.585801
  C     -10.446351      3.635288      3.527470
  C     -11.517190      3.281332      2.680531
  N     -11.571687      2.182849      1.945485
  C     -10.489435      1.355956      2.005782
  C     -10.490361      0.164893      1.241283
  C      -9.388031     -0.661836      1.270729
  C      -8.281405     -0.293027      2.064445
  N      -8.239558      0.806639      2.802529
  C      -9.324525      1.628731      2.791514
  H      -3.496697     -1.650564      4.377124
  H      -4.333363     -0.377335      3.475974
  H      -1.301316     -0.629826      3.263312
  H      -2.351431     -1.685064      2.307253
  H      -1.632562      0.452522      1.089244
  H      -2.595434      1.379529      2.265010
  H      -5.670434     -0.792088     -0.220733
  H      -6.930145      0.430873     -1.982823
  H      -4.902860      4.478845     -2.564716
  H      -2.846947      5.589097     -1.590236
  H      -1.523567      4.350416      0.131284
  H      -2.118162      5.663425      4.620788
  H      -3.281697      5.603615      5.951312
  H      -4.458919      6.406307      4.078388
  H      -5.023478      4.741343      4.273787
  H      -3.100787      4.130289      2.544066
  H      -3.221910      5.841922      2.072461
  H      -4.817936      7.379311      1.915158
  H      -6.697626      8.780051      1.140365
  H     -10.022917      5.972780     -0.402446
  H     -10.190835      3.470621     -0.645676
  H      -8.285219      2.051191      0.123708
  H      -7.132117      1.733173      7.334679
  H      -6.850268      1.662866      5.586851
  H      -6.316598      4.229525      5.775315
  H      -7.210479      4.173491      7.303149
  H      -8.642962      4.836520      5.378864
  H      -9.241187      3.319834      6.120923
  H     -10.488287      4.559428      4.099598
  H     -12.373921      3.954661      2.606006
  H     -11.370017     -0.061402      0.637006
  H      -9.355428     -1.585078      0.692548
  H      -7.389715     -0.924416      2.091311
  N      -4.872032      2.147162      3.896659
  N      -5.662960      1.979334      2.889957
  H      -6.547303      1.427493      3.048319
  H      -5.757107      2.751794      2.202121
102
Coordinates from ORCA-job orca E -6484.773771019304
  N      -3.041568      0.304730      4.989275
  Mo     -3.805683      2.102305      5.305491
  N      -5.162577      2.141423      6.730666
  C      -4.720555      2.243464      8.122990
  C      -3.435423      1.448731      8.290903
  N      -2.501948      1.787071      7.186128
  C      -1.554837      0.682260      6.896518
  C      -2.240486     -0.350614      6.026834
  C      -1.780481      3.066675      7.416381
  C      -1.425862      3.643601      6.055659
  N      -2.648231      3.726443      5.237696
  H      -1.470836     -0.994661      5.566620
  H      -2.887838     -1.021693      6.625443
  H      -0.705137      1.109694      6.347688
  H      -1.170861      0.245294      7.832936
  H      -0.972816      4.640317      6.180018
  H      -0.671074      3.016441      5.552505
  H      -2.464401      3.754197      7.932603
  H      -0.897793      2.902804      8.057212
  H      -5.488936      1.826181      8.797177
  H      -4.575733      3.299078      8.425281
  H      -3.668251      0.377377      8.207407
  H      -2.960147      1.627640      9.270673
  C      -3.396921     -0.644325      3.923513
  C      -2.322755     -0.711895      2.822040
  C      -2.478566      0.387358      1.788105
  O      -3.673518      0.039942      1.042909
  C      -4.229789      0.793037      0.073334
  C      -5.350828      0.240986     -0.538071
  C      -6.036964      0.950298     -1.534752
  N      -5.706765      2.158866     -1.966250
  C      -4.604924      2.716079     -1.397157
  C      -4.205725      4.005231     -1.828696
  C      -3.078674      4.583845     -1.296178
  C      -2.347838      3.867758     -0.321885
  N      -2.688697      2.674427      0.133919
  C      -3.802946      2.086095     -0.379814
  C      -3.004331      5.126001      4.966175
  C      -4.141684      5.349813      3.983483
  C      -3.747189      5.019723      2.549103
  O      -4.882808      4.608243      1.764047
  C      -5.826759      5.510521      1.422002
  C      -5.728885      6.887171      1.527160
  C      -6.819947      7.680077      1.100819
  N      -7.952181      7.218690      0.595443
  C      -8.056297      5.861285      0.474523
  C      -9.232790      5.292695     -0.073870
  C      -9.317815      3.923626     -0.214615
  C      -8.239777      3.121387      0.220568
  N      -7.137496      3.605059      0.774530
  C      -7.029906      4.955146      0.880368
  C      -6.607122      2.239710      6.526944
  C      -7.085755      3.687922      6.322538
  C      -8.404233      3.790774      5.574856
  O      -8.260842      3.021735      4.357082
  C      -9.361574      2.785405      3.620650
  C     -10.484406      3.594210      3.586554
  C     -11.559108      3.241522      2.743751
  N     -11.606225      2.156061      1.987099
  C     -10.512884      1.339933      2.021125
  C     -10.502188      0.166378      1.228967
  C      -9.391087     -0.649515      1.238833
  C      -8.287937     -0.291173      2.041862
  N      -8.254742      0.794224      2.800846
  C      -9.347118      1.607485      2.806116
  H      -3.534569     -1.642408      4.374107
  H      -4.353498     -0.359357      3.467904
  H      -1.318854     -0.636446      3.275007
  H      -2.373505     -1.689593      2.313888
  H      -1.623212      0.439269      1.104790
  H      -2.600991      1.373676      2.256401
  H      -5.683499     -0.749930     -0.232319
  H      -6.916105      0.494630     -2.000896
  H      -4.815111      4.500841     -2.587483
  H      -2.741550      5.571604     -1.611713
  H      -1.444158      4.306656      0.110242
  H      -2.103227      5.648064      4.588619
  H      -3.264596      5.618177      5.924044
  H      -4.460413      6.397401      4.067066
  H      -5.007815      4.728367      4.256565
  H      -3.083068      4.146698      2.518635
  H      -3.231876      5.858416      2.053802
  H      -4.837866      7.370983      1.922843
  H      -6.738757      8.768345      1.187454
  H     -10.043773      5.957338     -0.376049
  H     -10.204348      3.451883     -0.639043
  H      -8.289233      2.035017      0.108080
  H      -7.134961      1.778564      7.380223
  H      -6.867273      1.655960      5.636292
  H      -6.313870      4.219130      5.745390
  H      -7.188101      4.217387      7.282213
  H      -8.624582      4.844876      5.337767
  H      -9.247447      3.370213      6.147081
  H     -10.537610      4.508498      4.176622
  H     -12.425582      3.906098      2.692127
  H     -11.380531     -0.054051      0.620989
  H      -9.347407     -1.558015      0.638264
  H      -7.393642     -0.918792      2.056720
  N      -4.890098      2.156964      3.906744
  N      -5.662788      1.992318      2.884155
  H      -6.558701      1.460621      3.033373
  H      -5.749931      2.772734      2.207421
102
Coordinates from ORCA-job orca E -6484.774262680248
  N      -3.046034      0.306398      5.000962
  Mo     -3.807149      2.103074      5.317437
  N      -5.165617      2.148085      6.743225
  C      -4.724663      2.254290      8.134209
  C      -3.444542      1.452602      8.306275
  N      -2.509470      1.783599      7.202348
  C      -1.567402      0.673774      6.914473
  C      -2.258395     -0.353638      6.044520
  C      -1.783099      3.058321      7.433356
  C      -1.423735      3.634053      6.075007
  N      -2.642488      3.720464      5.249702
  H      -1.493693     -1.008526      5.591593
  H      -2.917271     -1.013847      6.641675
  H      -0.715761      1.096139      6.365575
  H      -1.186080      0.235486      7.851200
  H      -0.971357      4.627579      6.203055
  H      -0.666777      3.008002      5.576388
  H      -2.466617      3.747783      7.946318
  H      -0.902361      2.892057      8.078268
  H      -5.495628      1.845646      8.809191
  H      -4.573130      3.309226      8.431205
  H      -3.683227      0.383686      8.225083
  H      -2.967601      1.630801      9.284238
  C      -3.389453     -0.633252      3.926489
  C      -2.314070     -0.679154      2.825521
  C      -2.480450      0.425404      1.795976
  O      -3.663662      0.062106      1.042536
  C      -4.232796      0.813672      0.081307
  C      -5.357741      0.253205     -0.513443
  C      -6.051780      0.950815     -1.510169
  N      -5.727174      2.157588     -1.955733
  C      -4.619809      2.722205     -1.403368
  C      -4.223911      4.007160     -1.853036
  C      -3.087861      4.590741     -1.341577
  C      -2.344989      3.883107     -0.370024
  N      -2.683549      2.694035      0.102561
  C      -3.807661      2.102380     -0.388888
  C      -2.982114      5.118919      4.950085
  C      -4.117947      5.337413      3.964640
  C      -3.726592      5.003487      2.531167
  O      -4.865624      4.596671      1.749227
  C      -5.805403      5.507228      1.418895
  C      -5.692251      6.882951      1.524924
  C      -6.778040      7.688854      1.110607
  N      -7.920021      7.240389      0.615582
  C      -8.040137      5.883695      0.495407
  C      -9.228199      5.329112     -0.041317
  C      -9.330810      3.962422     -0.183297
  C      -8.258973      3.146706      0.243135
  N      -7.147237      3.616650      0.787202
  C      -7.020196      4.965449      0.890245
  C      -6.609965      2.257133      6.535743
  C      -7.072232      3.703025      6.282559
  C      -8.397636      3.791519      5.544004
  O      -8.274904      2.966208      4.360619
  C      -9.377312      2.735664      3.625083
  C     -10.506299      3.534923      3.604653
  C     -11.579613      3.187101      2.756814
  N     -11.618534      2.117437      1.981656
  C     -10.519687      1.308329      2.003814
  C     -10.502399      0.144541      1.196719
  C      -9.388483     -0.668054      1.200136
  C      -8.286789     -0.313790      2.007410
  N      -8.259686      0.763979      2.778411
  C      -9.356330      1.570766      2.792808
  H      -3.520705     -1.641311      4.364757
  H      -4.346838     -0.347607      3.474870
  H      -1.314911     -0.596813      3.277284
  H      -2.351261     -1.652117      2.314663
  H      -1.618909      0.493451      1.118801
  H      -2.621612      1.408160      2.265477
  H      -5.685584     -0.737307     -0.195831
  H      -6.935293      0.488003     -1.963582
  H      -4.840963      4.494900     -2.609739
  H      -2.751803      5.574943     -1.672562
  H      -1.431819      4.323655      0.045070
  H      -2.076581      5.625544      4.565483
  H      -3.239004      5.629599      5.898927
  H      -4.438111      6.383515      4.044679
  H      -4.980812      4.716765      4.241126
  H      -3.064483      4.130117      2.501369
  H      -3.211415      5.840041      2.034982
  H      -4.791171      7.356945      1.910187
  H      -6.684382      8.776564      1.198027
  H     -10.033630      6.004207     -0.334457
  H     -10.226332      3.502249     -0.600006
  H      -8.322744      2.061134      0.132274
  H      -7.143458      1.829939      7.403464
  H      -6.876327      1.647468      5.665292
  H      -6.300607      4.200690      5.673164
  H      -7.155793      4.272406      7.223550
  H      -8.605759      4.836961      5.260001
  H      -9.242913      3.409029      6.142698
  H     -10.569884      4.435388      4.210251
  H     -12.452769      3.844877      2.717024
  H     -11.379615     -0.071791      0.585220
  H      -9.340707     -1.570883      0.590268
  H      -7.389995     -0.938781      2.016602
  N      -4.894832      2.152626      3.922041
  N      -5.685534      1.979321      2.913365
  H      -6.579071      1.435658      3.073561
  H      -5.785975      2.751363      2.230719
102
Coordinates from ORCA-job orca E -6484.774637964098
  N      -3.066133      0.306805      4.998436
  Mo     -3.817325      2.105212      5.315574
  N      -5.170089      2.159860      6.748467
  C      -4.722196      2.267807      8.137499
  C      -3.446083      1.459314      8.306429
  N      -2.515118      1.785057      7.197795
  C      -1.578713      0.671528      6.904547
  C      -2.276053     -0.354637      6.037690
  C      -1.781382      3.056580      7.426083
  C      -1.423643      3.630874      6.066431
  N      -2.642532      3.716940      5.244315
  H      -1.515792     -1.011662      5.581087
  H      -2.932830     -1.012708      6.638001
  H      -0.728372      1.091332      6.351602
  H      -1.194228      0.231657      7.839819
  H      -0.970988      4.625189      6.194392
  H      -0.667352      3.005114      5.566314
  H      -2.459807      3.750626      7.940200
  H      -0.900066      2.887582      8.069461
  H      -5.492248      1.866738      8.817347
  H      -4.561906      3.322666      8.430119
  H      -3.691371      0.391496      8.227813
  H      -2.962310      1.636332      9.281660
  C      -3.415172     -0.629641      3.925648
  C      -2.334582     -0.681811      2.830456
  C      -2.487960      0.422617      1.801172
  O      -3.662160      0.066276      1.034576
  C      -4.222732      0.834118      0.081387
  C      -5.358092      0.292670     -0.515916
  C      -6.044404      1.002614     -1.509556
  N      -5.702694      2.204680     -1.950493
  C      -4.588736      2.753787     -1.393382
  C      -4.179265      4.035262     -1.837215
  C      -3.037455      4.604187     -1.322143
  C      -2.301608      3.885193     -0.353014
  N      -2.652706      2.697795      0.113570
  C      -3.782987      2.120387     -0.380564
  C      -2.968496      5.112810      4.923612
  C      -4.108847      5.322542      3.941802
  C      -3.719391      4.981681      2.507971
  O      -4.861548      4.576782      1.728202
  C      -5.799133      5.491753      1.403572
  C      -5.679782      6.867669      1.505194
  C      -6.764104      7.676695      1.095513
  N      -7.911210      7.231436      0.608598
  C      -8.037939      5.875154      0.493750
  C      -9.230541      5.323933     -0.035820
  C      -9.341020      3.957239     -0.171153
  C      -8.271439      3.138685      0.254193
  N      -7.154120      3.605798      0.788002
  C      -7.019639      4.953966      0.885263
  C      -6.614417      2.275555      6.546185
  C      -7.072275      3.718700      6.270370
  C      -8.406583      3.794419      5.546552
  O      -8.297698      2.945696      4.383265
  C      -9.402537      2.716402      3.650536
  C     -10.545590      3.496817      3.646664
  C     -11.617273      3.137026      2.798674
  N     -11.643099      2.072072      2.012110
  C     -10.530568      1.281376      2.020185
  C     -10.497630      0.123465      1.203154
  C      -9.368863     -0.666810      1.191769
  C      -8.266127     -0.295040      1.990533
  N      -8.254637      0.778209      2.770835
  C      -9.367230      1.561170      2.802363
  H      -3.555162     -1.633993      4.361878
  H      -4.371735     -0.339738      3.471741
  H      -1.336405     -0.602483      3.287648
  H      -2.372754     -1.654434      2.315975
  H      -1.618715      0.487875      1.131803
  H      -2.630545      1.404802      2.271380
  H      -5.699215     -0.694041     -0.203700
  H      -6.932511      0.552792     -1.965894
  H      -4.789753      4.531635     -2.592738
  H      -2.691746      5.585448     -1.649815
  H      -1.381845      4.312093      0.062686
  H      -2.061642      5.606701      4.526152
  H      -3.215742      5.640063      5.865593
  H      -4.432626      6.368968      4.018720
  H      -4.967792      4.699488      4.226673
  H      -3.059580      4.104840      2.479055
  H      -3.200811      5.817425      2.010178
  H      -4.773879      7.339933      1.881902
  H      -6.665601      8.764174      1.180211
  H     -10.032618      6.002815     -0.329055
  H     -10.240251      3.498694     -0.582187
  H      -8.342166      2.053122      0.151845
  H      -7.144550      1.867430      7.425722
  H      -6.890360      1.650940      5.687820
  H      -6.307676      4.201793      5.643721
  H      -7.143585      4.304443      7.200415
  H      -8.619253      4.829903      5.241352
  H      -9.244904      3.427470      6.162947
  H     -10.625600      4.389632      4.265466
  H     -12.504277      3.778074      2.774090
  H     -11.375608     -0.104871      0.596488
  H      -9.309048     -1.563638      0.574073
  H      -7.355390     -0.898723      1.984771
  N      -4.910787      2.150005      3.922128
  N      -5.702354      1.977509      2.914254
  H      -6.607235      1.451372      3.076670
  H      -5.799468      2.752151      2.231936
102
Coordinates from ORCA-job orca E -6484.774883797823
  N      -3.066391      0.322224      5.003948
  Mo     -3.814072      2.118538      5.330213
  N      -5.167204      2.164431      6.764424
  C      -4.716056      2.265791      8.152966
  C      -3.439808      1.456631      8.317395
  N      -2.509748      1.790526      7.210498
  C      -1.571069      0.682280      6.903002
  C      -2.269061     -0.341544      6.035054
  C      -1.775709      3.060464      7.448634
  C      -1.421037      3.649079      6.092414
  N      -2.642579      3.734643      5.278303
  H      -1.509812     -0.993767      5.572443
  H      -2.920981     -1.003638      6.635357
  H      -0.727020      1.110322      6.346200
  H      -1.176815      0.237733      7.832030
  H      -0.972962      4.647725      6.226943
  H      -0.659910      3.030854      5.584094
  H      -2.453163      3.751000      7.971068
  H      -0.892868      2.886350      8.088137
  H      -5.485129      1.862866      8.832560
  H      -4.554160      3.319352      8.449107
  H      -3.684881      0.388932      8.234415
  H      -2.954925      1.629274      9.292963
  C      -3.426513     -0.614182      3.933015
  C      -2.357872     -0.672347      2.827937
  C      -2.520803      0.422032      1.788824
  O      -3.699179      0.055708      1.027993
  C      -4.259746      0.819698      0.069079
  C      -5.407291      0.285571     -0.515404
  C      -6.080406      0.984860     -1.528209
  N      -5.711078      2.168367     -1.999685
  C      -4.588248      2.711238     -1.450091
  C      -4.148847      3.970966     -1.925415
  C      -2.999585      4.532706     -1.415945
  C      -2.286161      3.829262     -0.421718
  N      -2.662584      2.660582      0.070929
  C      -3.798972      2.089864     -0.417040
  C      -2.966893      5.129280      4.947296
  C      -4.111360      5.332142      3.966910
  C      -3.712545      5.012576      2.531133
  O      -4.847973      4.608629      1.738991
  C      -5.789979      5.522418      1.423771
  C      -5.678699      6.897679      1.539253
  C      -6.764510      7.705893      1.133569
  N      -7.907144      7.261304      0.636179
  C      -8.026584      5.906836      0.508537
  C      -9.214074      5.357905     -0.032273
  C      -9.324107      3.991644     -0.171594
  C      -8.256676      3.171535      0.257167
  N      -7.139996      3.636958      0.793111
  C      -7.006965      4.984965      0.898036
  C      -6.612653      2.273082      6.565555
  C      -7.084638      3.708937      6.273830
  C      -8.428497      3.761381      5.564076
  O      -8.320900      2.908207      4.407098
  C      -9.418621      2.685876      3.663269
  C     -10.564974      3.460917      3.655947
  C     -11.626474      3.102899      2.794062
  N     -11.638443      2.048596      1.995302
  C     -10.522220      1.263611      2.006003
  C     -10.472712      0.118488      1.173578
  C      -9.339755     -0.663308      1.165081
  C      -8.248039     -0.294488      1.981213
  N      -8.253582      0.766835      2.776704
  C      -9.370627      1.540502      2.804259
  H      -3.566222     -1.617815      4.369141
  H      -4.387887     -0.324119      3.490618
  H      -1.354406     -0.591303      3.273935
  H      -2.401369     -1.647879      2.320014
  H      -1.653585      0.479275      1.118020
  H      -2.663986      1.411051      2.245108
  H      -5.765941     -0.689356     -0.181879
  H      -6.973179      0.538029     -1.978227
  H      -4.743134      4.457108     -2.698858
  H      -2.632723      5.497690     -1.767307
  H      -1.362334      4.251308     -0.010333
  H      -2.058317      5.622143      4.545789
  H      -3.215021      5.664428      5.886030
  H      -4.452688      6.374826      4.055851
  H      -4.962978      4.691296      4.245206
  H      -3.044098      4.142838      2.492827
  H      -3.198205      5.861481      2.050219
  H      -4.776709      7.371563      1.922582
  H      -6.671875      8.792304      1.230595
  H     -10.012601      6.040068     -0.329270
  H     -10.221032      3.534112     -0.589224
  H      -8.328222      2.085963      0.155287
  H      -7.134279      1.875880      7.454944
  H      -6.892042      1.633587      5.716603
  H      -6.335339      4.190386      5.632645
  H      -7.150179      4.303952      7.195656
  H      -8.661993      4.789131      5.249386
  H      -9.253143      3.389658      6.194778
  H     -10.659005      4.345603      4.283587
  H     -12.518863      3.735781      2.772103
  H     -11.342489     -0.106559      0.554361
  H      -9.267755     -1.550437      0.535877
  H      -7.331740     -0.888515      1.977519
  N      -4.903433      2.166912      3.934230
  N      -5.693945      2.009685      2.926237
  H      -6.587511      1.464243      3.061679
  H      -5.791504      2.792694      2.251174
102
Coordinates from ORCA-job orca E -6484.775210655140
  N      -3.079315      0.325913      5.002381
  Mo     -3.823475      2.122169      5.335645
  N      -5.173816      2.169833      6.771860
  C      -4.718174      2.270604      8.158885
  C      -3.444717      1.457132      8.320240
  N      -2.515735      1.789680      7.212699
  C      -1.580769      0.679624      6.900402
  C      -2.284041     -0.342401      6.034322
  C      -1.778054      3.057069      7.450209
  C      -1.424996      3.647300      6.095437
  N      -2.645312      3.732711      5.278826
  H      -1.527977     -0.998494      5.571651
  H      -2.939144     -1.001189      6.636261
  H      -0.737962      1.106472      6.340538
  H      -1.183717      0.232377      7.827103
  H      -0.979594      4.645449      6.231858
  H      -0.661567      3.032617      5.588152
  H      -2.451524      3.748473      7.974395
  H      -0.894550      2.880513      8.087396
  H      -5.487105      1.871734      8.841296
  H      -4.550394      3.323636      8.453929
  H      -3.692988      0.390303      8.237635
  H      -2.958653      1.628064      9.295447
  C      -3.437014     -0.608030      3.927839
  C      -2.362300     -0.665857      2.830010
  C      -2.518565      0.429005      1.793966
  O      -3.690189      0.062212      1.021295
  C      -4.252880      0.836645      0.073597
  C      -5.402229      0.310775     -0.510069
  C      -6.080412      1.023116     -1.511045
  N      -5.714634      2.213017     -1.971064
  C      -4.588897      2.746324     -1.422363
  C      -4.151574      4.011469     -1.887518
  C      -2.999547      4.564713     -1.380063
  C      -2.281593      3.848546     -0.398194
  N      -2.656617      2.675591      0.085328
  C      -3.794750      2.111750     -0.401127
  C      -2.953419      5.126025      4.924873
  C      -4.099102      5.326706      3.944508
  C      -3.699946      4.989369      2.513102
  O      -4.837802      4.592502      1.722571
  C      -5.768437      5.513235      1.393640
  C      -5.641459      6.889562      1.484481
  C      -6.719037      7.702754      1.067108
  N      -7.868397      7.262085      0.582812
  C      -8.004593      5.906050      0.481327
  C      -9.201516      5.358813     -0.041045
  C      -9.325943      3.990393     -0.155102
  C      -8.264743      3.167095      0.280244
  N      -7.140187      3.630835      0.801815
  C      -6.993436      4.979966      0.882508
  C      -6.617896      2.282159      6.573182
  C      -7.081636      3.713880      6.263137
  C      -8.430109      3.760125      5.564937
  O      -8.338632      2.869209      4.430889
  C      -9.438080      2.649426      3.690809
  C     -10.592671      3.411140      3.703166
  C     -11.653923      3.056244      2.839378
  N     -11.658995      2.017733      2.020954
  C     -10.535593      1.242789      2.014978
  C     -10.480803      0.109047      1.167462
  C      -9.340403     -0.664781      1.141040
  C      -8.246825     -0.297416      1.955328
  N      -8.259084      0.751385      2.768254
  C      -9.383417      1.516685      2.813964
  H      -3.582254     -1.611208      4.359607
  H      -4.395341     -0.316210      3.480530
  H      -1.360812     -0.583327      3.284051
  H      -2.401488     -1.640395      2.316112
  H      -1.647492      0.490163      1.129263
  H      -2.666768      1.415846      2.254575
  H      -5.762042     -0.665953     -0.184469
  H      -6.980788      0.586007     -1.957404
  H      -4.752173      4.509239     -2.651167
  H      -2.635301      5.533470     -1.724448
  H      -1.357275      4.265165      0.010254
  H      -2.040317      5.599889      4.509088
  H      -3.188221      5.682237      5.855508
  H      -4.436048      6.371399      4.022643
  H      -4.954535      4.692998      4.228108
  H      -3.043227      4.109743      2.484387
  H      -3.171684      5.826826      2.025267
  H      -4.734194      7.361200      1.856909
  H      -6.613117      8.789824      1.143569
  H      -9.993876      6.043684     -0.346245
  H     -10.229295      3.534105     -0.559944
  H      -8.346599      2.080494      0.194920
  H      -7.141340      1.899394      7.465096
  H      -6.901046      1.638077      5.733618
  H      -6.333455      4.179097      5.607399
  H      -7.137489      4.325017      7.174651
  H      -8.656852      4.782405      5.223433
  H      -9.252110      3.415062      6.216214
  H     -10.693182      4.281805      4.347808
  H     -12.553962      3.677675      2.834678
  H     -11.352648     -0.115954      0.550953
  H      -9.265921     -1.543887      0.500133
  H      -7.320815     -0.879859      1.935196
  N      -4.914419      2.167511      3.941215
  N      -5.705267      2.005754      2.935067
  H      -6.598742      1.452346      3.062960
  H      -5.791058      2.771183      2.242392
102
Coordinates from ORCA-job orca E -6484.775430524737
  N      -3.094231      0.327187      5.005890
  Mo     -3.828526      2.128327      5.343691
  N      -5.173760      2.176542      6.783812
  C      -4.711141      2.274045      8.169275
  C      -3.440709      1.454343      8.323063
  N      -2.513617      1.787609      7.213773
  C      -1.582308      0.676116      6.895921
  C      -2.290410     -0.344184      6.030515
  C      -1.773694      3.052726      7.454567
  C      -1.427626      3.652645      6.105176
  N      -2.648205      3.736873      5.287471
  H      -1.536304     -0.997015      5.560526
  H      -2.939926     -1.006346      6.634192
  H      -0.740665      1.102714      6.334051
  H      -1.182683      0.225745      7.820186
  H      -0.989557      4.649889      6.249948
  H      -0.660713      3.048889      5.595172
  H      -2.442882      3.739744      7.986222
  H      -0.887056      2.871831      8.085494
  H      -5.479187      1.877292      8.855249
  H      -4.537009      3.326683      8.465600
  H      -3.692615      0.388240      8.237800
  H      -2.952894      1.620881      9.298552
  C      -3.466223     -0.607523      3.936265
  C      -2.401750     -0.669714      2.826353
  C      -2.551424      0.435405      1.795181
  O      -3.725811      0.083955      1.024722
  C      -4.281336      0.863001      0.077466
  C      -5.430980      0.347122     -0.510670
  C      -6.094313      1.063435     -1.514706
  N      -5.719430      2.252307     -1.970711
  C      -4.595190      2.776869     -1.416213
  C      -4.148621      4.041889     -1.877712
  C      -2.989565      4.581760     -1.369911
  C      -2.272157      3.850823     -0.392754
  N      -2.659925      2.681771      0.090507
  C      -3.808353      2.133228     -0.395006
  C      -2.949566      5.127445      4.920839
  C      -4.091331      5.329208      3.935853
  C      -3.688388      4.979719      2.509089
  O      -4.825230      4.589083      1.714982
  C      -5.747270      5.510479      1.365958
  C      -5.609910      6.886892      1.430371
  C      -6.680661      7.699554      0.994273
  N      -7.832970      7.258054      0.517888
  C      -7.980932      5.900799      0.444441
  C      -9.182542      5.350895     -0.066419
  C      -9.315640      3.981158     -0.152760
  C      -8.260705      3.159840      0.298410
  N      -7.132723      3.626134      0.811412
  C      -6.976950      4.976066      0.865025
  C      -6.618045      2.279064      6.591057
  C      -7.086801      3.709028      6.268648
  C      -8.442258      3.745061      5.584259
  O      -8.355508      2.849138      4.455670
  C      -9.451696      2.622779      3.715866
  C     -10.618870      3.365985      3.738456
  C     -11.673918      3.006325      2.870814
  N     -11.663886      1.976911      2.040769
  C     -10.528220      1.219503      2.024925
  C     -10.457505      0.095761      1.166585
  C      -9.302747     -0.657757      1.125097
  C      -8.212370     -0.279109      1.936990
  N      -8.239079      0.759148      2.762184
  C      -9.378106      1.503217      2.824409
  H      -3.614164     -1.614105      4.369953
  H      -4.424322     -0.307475      3.497607
  H      -1.399135     -0.600341      3.271455
  H      -2.454555     -1.639522      2.309579
  H      -1.682450      0.496236      1.123196
  H      -2.690555      1.420657      2.262990
  H      -5.801799     -0.625495     -0.188007
  H      -6.996478      0.634685     -1.964241
  H      -4.746637      4.547982     -2.641002
  H      -2.615565      5.547344     -1.713913
  H      -1.337821      4.254360      0.011457
  H      -2.036131      5.590699      4.501935
  H      -3.178275      5.690487      5.845413
  H      -4.428044      6.372724      4.003241
  H      -4.946575      4.699080      4.219970
  H      -3.043296      4.090422      2.490149
  H      -3.146704      5.807143      2.017566
  H      -4.700550      7.359279      1.797014
  H      -6.565245      8.787171      1.047564
  H      -9.969547      6.033862     -0.386832
  H     -10.221354      3.522409     -0.549391
  H      -8.349075      2.072628      0.232804
  H      -7.137568      1.902878      7.489509
  H      -6.902624      1.626847      5.757943
  H      -6.342989      4.171416      5.599085
  H      -7.135440      4.332526      7.177091
  H      -8.676905      4.763976      5.239823
  H      -9.255000      3.401289      6.245376
  H     -10.732738      4.227756      4.392774
  H     -12.581643      3.618316      2.871002
  H     -11.327769     -0.138717      0.551652
  H      -9.216284     -1.528245      0.474258
  H      -7.274411     -0.841291      1.903093
  N      -4.922905      2.177418      3.951800
  N      -5.715316      2.017997      2.947869
  H      -6.614835      1.475660      3.081533
  H      -5.792692      2.789164      2.254040
102
Coordinates from ORCA-job orca E -6484.775607738461
  N      -3.082662      0.332298      5.008932
  Mo     -3.821950      2.130624      5.347104
  N      -5.166409      2.175564      6.788969
  C      -4.701494      2.272229      8.173306
  C      -3.430383      1.452887      8.324687
  N      -2.503537      1.790645      7.216961
  C      -1.569786      0.681892      6.896402
  C      -2.280192     -0.340144      6.035553
  C      -1.767042      3.056221      7.462770
  C      -1.422197      3.663474      6.114075
  N      -2.642800      3.743394      5.295053
  H      -1.528472     -0.999588      5.567561
  H      -2.933110     -0.996811      6.643287
  H      -0.733248      1.111241      6.329071
  H      -1.164052      0.232798      7.818769
  H      -0.992880      4.663957      6.263594
  H      -0.648358      3.067376      5.602653
  H      -2.438236      3.741017      7.998371
  H      -0.879036      2.872651      8.093594
  H      -5.468119      1.874467      8.859636
  H      -4.527093      3.323996      8.470714
  H      -3.680162      0.386902      8.237592
  H      -2.944804      1.618404      9.301118
  C      -3.449891     -0.603714      3.941722
  C      -2.381456     -0.653372      2.835843
  C      -2.541457      0.452100      1.807203
  O      -3.711343      0.095254      1.035101
  C      -4.275794      0.874418      0.092080
  C      -5.427457      0.353731     -0.487938
  C      -6.100809      1.066865     -1.487782
  N      -5.733117      2.256019     -1.947934
  C      -4.609185      2.787744     -1.399594
  C      -4.171853      4.055515     -1.864511
  C      -3.016843      4.605551     -1.360734
  C      -2.292565      3.882195     -0.384671
  N      -2.668313      2.708346      0.098676
  C      -3.814158      2.149749     -0.381952
  C      -2.936312      5.130426      4.910270
  C      -4.074196      5.323473      3.920744
  C      -3.666123      4.971300      2.495706
  O      -4.804479      4.588703      1.700042
  C      -5.713537      5.519012      1.342814
  C      -5.554721      6.893867      1.392652
  C      -6.612918      7.717581      0.943179
  N      -7.771791      7.287932      0.467515
  C      -7.942174      5.931729      0.412457
  C      -9.152673      5.392942     -0.093227
  C      -9.306978      4.024356     -0.155882
  C      -8.266894      3.193559      0.314119
  N      -7.130389      3.650164      0.818893
  C      -6.953100      4.997757      0.848429
  C      -6.611800      2.263346      6.598435
  C      -7.097684      3.682164      6.251078
  C      -8.467401      3.691814      5.591733
  O      -8.387289      2.802555      4.463178
  C      -9.482631      2.587428      3.717353
  C     -10.645460      3.341645      3.740065
  C     -11.700746      2.993410      2.868612
  N     -11.696277      1.965910      2.033377
  C     -10.566182      1.198650      2.016441
  C     -10.504777      0.076345      1.154721
  C      -9.357144     -0.688832      1.113137
  C      -8.264465     -0.323166      1.928316
  N      -8.280556      0.714665      2.755860
  C      -9.414553      1.469613      2.819897
  H      -3.587790     -1.610176      4.373706
  H      -4.412463     -0.312701      3.501820
  H      -1.378922     -0.567296      3.286153
  H      -2.418681     -1.624606      2.315075
  H      -1.676534      0.522260      1.134092
  H      -2.686299      1.432126      2.278819
  H      -5.788868     -0.622770     -0.164846
  H      -7.001695      0.632772     -1.932121
  H      -4.771132      4.553270     -2.627728
  H      -2.650232      5.572419     -1.709029
  H      -1.359883      4.294123      0.015464
  H      -2.020536      5.583698      4.486410
  H      -3.161403      5.705663      5.827847
  H      -4.420441      6.363019      3.982208
  H      -4.923753      4.686706      4.202979
  H      -3.028973      4.078405      2.475830
  H      -3.118052      5.793187      2.008236
  H      -4.638280      7.357805      1.757856
  H      -6.479801      8.804474      0.982997
  H      -9.928474      6.082456     -0.427659
  H     -10.219958      3.573131     -0.546668
  H      -8.373419      2.106649      0.269546
  H      -7.125381      1.901314      7.506732
  H      -6.895498      1.591845      5.778280
  H      -6.368712      4.137492      5.559436
  H      -7.136110      4.324259      7.147429
  H      -8.730075      4.702969      5.251939
  H      -9.259107      3.334325      6.267881
  H     -10.757322      4.202789      4.398721
  H     -12.604279      3.614626      2.870766
  H     -11.376686     -0.149373      0.538168
  H      -9.280363     -1.559406      0.460888
  H      -7.331589     -0.895522      1.894960
  N      -4.931489      2.175558      3.964104
  N      -5.753019      2.021229      2.984378
  H      -6.627457      1.447248      3.122613
  H      -5.845827      2.774491      2.276925
102
Coordinates from ORCA-job orca E -6484.775936891069
  N      -3.090107      0.344777      5.007751
  Mo     -3.827333      2.143410      5.355757
  N      -5.169909      2.179217      6.798790
  C      -4.703559      2.264588      8.182480
  C      -3.431187      1.446199      8.326549
  N      -2.506247      1.794245      7.221179
  C      -1.570710      0.690186      6.892875
  C      -2.280393     -0.328704      6.028211
  C      -1.771830      3.059526      7.474225
  C      -1.425428      3.674302      6.126496
  N      -2.647192      3.755371      5.310891
  H      -1.527596     -0.982262      5.553892
  H      -2.927826     -0.990976      6.634454
  H      -0.736656      1.124966      6.326531
  H      -1.161739      0.237288      7.811780
  H      -0.997947      4.678628      6.280587
  H      -0.648541      3.081023      5.610058
  H      -2.444731      3.742599      8.013988
  H      -0.883271      2.872234      8.104317
  H      -5.468318      1.861125      8.865660
  H      -4.529996      3.313021      8.488113
  H      -3.679283      0.381153      8.230184
  H      -2.945209      1.603904      9.304052
  C      -3.464847     -0.591135      3.939232
  C      -2.400893     -0.650839      2.831474
  C      -2.557197      0.450105      1.800520
  O      -3.729406      0.091488      1.023675
  C      -4.291909      0.871083      0.079397
  C      -5.453436      0.359705     -0.493945
  C      -6.129568      1.079137     -1.492401
  N      -5.748236      2.260363     -1.960864
  C      -4.611858      2.780858     -1.420357
  C      -4.156604      4.037078     -1.895360
  C      -2.994569      4.577449     -1.395923
  C      -2.281871      3.856837     -0.414227
  N      -2.669885      2.691118      0.076010
  C      -3.820763      2.140568     -0.401048
  C      -2.927861      5.142599      4.917369
  C      -4.071534      5.337416      3.935774
  C      -3.665677      4.975263      2.511428
  O      -4.803496      4.590263      1.718584
  C      -5.703921      5.523158      1.346594
  C      -5.536289      6.897576      1.382030
  C      -6.587264      7.722959      0.915144
  N      -7.745461      7.295232      0.435837
  C      -7.923351      5.939826      0.394442
  C      -9.133262      5.402894     -0.113176
  C      -9.293291      4.034734     -0.162898
  C      -8.257343      3.203236      0.318305
  N      -7.121860      3.659447      0.825734
  C      -6.941633      5.005191      0.846039
  C      -6.616249      2.262335      6.611079
  C      -7.107548      3.676871      6.262746
  C      -8.480473      3.681459      5.615265
  O      -8.406021      2.772313      4.497378
  C      -9.498569      2.554459      3.749431
  C     -10.669214      3.293547      3.782305
  C     -11.719403      2.946278      2.904204
  N     -11.701249      1.933790      2.051863
  C     -10.561521      1.182514      2.023781
  C     -10.481398      0.079917      1.139888
  C      -9.322888     -0.666151      1.086792
  C      -8.239044     -0.301407      1.913310
  N      -8.272227      0.718840      2.760345
  C      -9.416046      1.453726      2.834889
  H      -3.607874     -1.593370      4.374674
  H      -4.427100     -0.296164      3.499854
  H      -1.398184     -0.570826      3.279611
  H      -2.446366     -1.620461      2.314044
  H      -1.690020      0.515428      1.132142
  H      -2.701276      1.432927      2.270208
  H      -5.821460     -0.613776     -0.166902
  H      -7.035232      0.651433     -1.933292
  H      -4.749496      4.534783     -2.661452
  H      -2.615898      5.536604     -1.750774
  H      -1.345386      4.262382     -0.016926
  H      -2.007470      5.580827      4.480028
  H      -3.137196      5.731600      5.832794
  H      -4.412873      6.381550      3.993743
  H      -4.926616      4.704107      4.225272
  H      -3.032357      4.082066      2.496404
  H      -3.114898      5.791123      2.019132
  H      -4.619529      7.359309      1.750091
  H      -6.447637      8.809715      0.942754
  H      -9.905772      6.092688     -0.457141
  H     -10.207023      3.584730     -0.554066
  H      -8.366627      2.116996      0.280897
  H      -7.129013      1.902490      7.520112
  H      -6.899654      1.587608      5.794304
  H      -6.385480      4.129166      5.566352
  H      -7.142277      4.320251      7.154863
  H      -8.743290      4.691978      5.262260
  H      -9.268790      3.334411      6.305581
  H     -10.790881      4.141144      4.454941
  H     -12.629501      3.554579      2.915525
  H     -11.347315     -0.145949      0.515381
  H      -9.231396     -1.521777      0.417542
  H      -7.299080     -0.859252      1.873360
  N      -4.937304      2.193363      3.971539
  N      -5.761060      2.041238      2.992882
  H      -6.634282      1.463774      3.127407
  H      -5.846250      2.788084      2.276779
102
Coordinates from ORCA-job orca E -6484.776194875230
  N      -3.098375      0.350818      5.007274
  Mo     -3.829434      2.151246      5.362139
  N      -5.170801      2.182672      6.805722
  C      -4.700971      2.263007      8.189191
  C      -3.429065      1.441591      8.327618
  N      -2.504579      1.793416      7.221521
  C      -1.570108      0.690887      6.885222
  C      -2.281759     -0.324624      6.018703
  C      -1.767488      3.055665      7.479838
  C      -1.428027      3.683322      6.139506
  N      -2.650633      3.763697      5.325495
  H      -1.530036     -0.971711      5.537420
  H      -2.924374     -0.992148      6.623396
  H      -0.737773      1.128395      6.317906
  H      -1.157854      0.234581      7.800657
  H      -1.007622      4.687891      6.303603
  H      -0.648171      3.102550      5.617432
  H      -2.435244      3.731635      8.029683
  H      -0.875792      2.863446      8.100492
  H      -5.464813      1.859501      8.874395
  H      -4.523951      3.311148      8.496776
  H      -3.679179      0.376749      8.227559
  H      -2.941378      1.594902      9.305319
  C      -3.482090     -0.583448      3.939148
  C      -2.421476     -0.649754      2.826958
  C      -2.575512      0.452801      1.795812
  O      -3.749661      0.101091      1.018843
  C      -4.304804      0.884503      0.073921
  C      -5.465444      0.379494     -0.504481
  C      -6.132700      1.102773     -1.504036
  N      -5.744714      2.283119     -1.968469
  C      -4.605931      2.795429     -1.424888
  C      -4.142750      4.049756     -1.895921
  C      -2.975359      4.578986     -1.395161
  C      -2.267019      3.849366     -0.414881
  N      -2.665457      2.687490      0.073558
  C      -3.820787      2.148117     -0.405519
  C      -2.922149      5.149645      4.919891
  C      -4.062780      5.344501      3.934698
  C      -3.654251      4.973353      2.513730
  O      -4.793305      4.593905      1.718721
  C      -5.684068      5.528455      1.328242
  C      -5.509709      6.901408      1.344167
  C      -6.554314      7.723683      0.860088
  N      -7.711184      7.295257      0.382176
  C      -7.896262      5.941953      0.361861
  C      -9.108705      5.404181     -0.136728
  C      -9.280860      4.035192     -0.156853
  C      -8.251522      3.205676      0.339636
  N      -7.112322      3.664074      0.836530
  C      -6.922253      5.009639      0.831965
  C      -6.618384      2.261732      6.619600
  C      -7.116186      3.672054      6.262612
  C      -8.497393      3.667315      5.631291
  O      -8.431788      2.751947      4.517846
  C      -9.524798      2.530973      3.771977
  C     -10.705125      3.252743      3.816308
  C     -11.752751      2.900635      2.936355
  N     -11.722488      1.899810      2.071580
  C     -10.573395      1.164258      2.033620
  C     -10.480329      0.071585      1.138516
  C      -9.314724     -0.662242      1.081178
  C      -8.235373     -0.295418      1.913567
  N      -8.279850      0.717668      2.768772
  C      -9.431151      1.440452      2.846994
  H      -3.629138     -1.585444      4.376885
  H      -4.442850     -0.282698      3.503209
  H      -1.415947     -0.574248      3.271102
  H      -2.472820     -1.621139      2.311681
  H      -1.708084      0.514833      1.128066
  H      -2.715225      1.436355      2.264771
  H      -5.840960     -0.591360     -0.180372
  H      -7.043405      0.682971     -1.945368
  H      -4.736562      4.557315     -2.659608
  H      -2.591189      5.537491     -1.746665
  H      -1.329361      4.247778     -0.014971
  H      -1.998804      5.577134      4.479734
  H      -3.127189      5.746354      5.829628
  H      -4.400870      6.390842      3.984451
  H      -4.919868      4.715341      4.226100
  H      -3.028547      4.071862      2.506171
  H      -3.091635      5.782470      2.019442
  H      -4.594382      7.363712      1.710431
  H      -6.410662      8.808337      0.872726
  H      -9.876362      6.092905     -0.493997
  H     -10.198074      3.583881     -0.538070
  H      -8.369478      2.119094      0.324410
  H      -7.128566      1.907475      7.531742
  H      -6.901953      1.579432      5.808351
  H      -6.403928      4.118970      5.554358
  H      -7.141670      4.322219      7.149425
  H      -8.768087      4.674959      5.275031
  H      -9.276350      3.320618      6.333250
  H     -10.837005      4.088226      4.500606
  H     -12.671370      3.492265      2.958505
  H     -11.343079     -0.157921      0.510956
  H      -9.214460     -1.511135      0.404683
  H      -7.290667     -0.845769      1.872631
  N      -4.936176      2.207820      3.978361
  N      -5.763654      2.059751      3.003567
  H      -6.628736      1.471573      3.132219
  H      -5.846350      2.807639      2.285874
102
Coordinates from ORCA-job orca E -6484.776451828757
  N      -3.108826      0.361164      5.006112
  Mo     -3.834979      2.162751      5.372646
  N      -5.169405      2.184588      6.822531
  C      -4.693681      2.254885      8.204798
  C      -3.421831      1.432142      8.330533
  N      -2.502880      1.793828      7.222749
  C      -1.568030      0.695407      6.875523
  C      -2.282339     -0.317358      6.007936
  C      -1.767581      3.055563      7.488883
  C      -1.433581      3.696910      6.155070
  N      -2.655991      3.776050      5.339591
  H      -1.530612     -0.959865      5.517025
  H      -2.918871     -0.991851      6.614273
  H      -0.738706      1.137519      6.306963
  H      -1.150850      0.235642      7.786995
  H      -1.022866      4.702864      6.330955
  H      -0.647857      3.129581      5.628027
  H      -2.434867      3.724059      8.047386
  H      -0.873206      2.860118      8.104403
  H      -5.453988      1.846281      8.891388
  H      -4.514859      3.301292      8.518910
  H      -3.672877      0.368123      8.221212
  H      -2.928975      1.576316      9.307211
  C      -3.506212     -0.571213      3.941314
  C      -2.454854     -0.646372      2.819790
  C      -2.602078      0.460078      1.792821
  O      -3.780277      0.118667      1.019025
  C      -4.328640      0.906129      0.073723
  C      -5.491334      0.408982     -0.504591
  C      -6.153251      1.137622     -1.502735
  N      -5.760378      2.318161     -1.964899
  C      -4.618066      2.822322     -1.422870
  C      -4.147910      4.075255     -1.892449
  C      -2.975284      4.594801     -1.394040
  C      -2.268763      3.855604     -0.418166
  N      -2.674069      2.694690      0.069346
  C      -3.835495      2.166442     -0.406713
  C      -2.916580      5.160050      4.918921
  C      -4.057098      5.353898      3.933799
  C      -3.646012      4.967573      2.518382
  O      -4.782253      4.586128      1.722235
  C      -5.657361      5.522805      1.302571
  C      -5.466899      6.894109      1.288181
  C      -6.497450      7.715981      0.773060
  N      -7.654528      7.288684      0.294712
  C      -7.856102      5.936869      0.307037
  C      -9.071315      5.399804     -0.185255
  C      -9.257436      4.032801     -0.175682
  C      -8.240158      3.204095      0.346695
  N      -7.101345      3.662953      0.842880
  C      -6.896610      5.005990      0.807502
  C      -6.618715      2.249352      6.645174
  C      -7.129735      3.653486      6.280791
  C      -8.518584      3.631124      5.666280
  O      -8.452101      2.716285      4.555646
  C      -9.539797      2.499767      3.803078
  C     -10.725454      3.212197      3.854359
  C     -11.768827      2.863702      2.967834
  N     -11.727451      1.876148      2.088681
  C     -10.572007      1.150143      2.043447
  C     -10.465732      0.071431      1.132250
  C      -9.294454     -0.654041      1.070629
  C      -8.222779     -0.293587      1.914501
  N      -8.278754      0.707006      2.783260
  C      -9.435117      1.421762      2.864680
  H      -3.655736     -1.571578      4.384192
  H      -4.466996     -0.262633      3.513231
  H      -1.446783     -0.581890      3.256378
  H      -2.518272     -1.617135      2.303638
  H      -1.733894      0.520133      1.122957
  H      -2.735910      1.443636      2.266285
  H      -5.873204     -0.559937     -0.181165
  H      -7.068108      0.724697     -1.942608
  H      -4.738858      4.588203     -2.654245
  H      -2.584184      5.551378     -1.744324
  H      -1.325824      4.245185     -0.021129
  H      -1.990576      5.572065      4.471326
  H      -3.111003      5.768324      5.822492
  H      -4.390685      6.401272      3.973219
  H      -4.916911      4.731722      4.229410
  H      -3.026144      4.061859      2.525907
  H      -3.075474      5.767159      2.017487
  H      -4.549912      7.354387      1.652547
  H      -6.341139      8.799660      0.759631
  H      -9.829973      6.087332     -0.563136
  H     -10.175864      3.582850     -0.553737
  H      -8.367243      2.119058      0.352363
  H      -7.120706      1.896573      7.562569
  H      -6.902215      1.558506      5.841232
  H      -6.430394      4.096908      5.555520
  H      -7.146507      4.314276      7.162649
  H      -8.806692      4.633617      5.311492
  H      -9.283864      3.274163      6.374444
  H     -10.864279      4.037060      4.550340
  H     -12.692491      3.448116      2.994821
  H     -11.322832     -0.154014      0.496247
  H      -9.183213     -1.491647      0.381440
  H      -7.275638     -0.839076      1.870898
  N      -4.948980      2.222870      3.994999
  N      -5.779663      2.079169      3.022072
  H      -6.641509      1.485219      3.146974
  H      -5.855418      2.821529      2.296666
102
Coordinates from ORCA-job orca E -6484.776718601982
  N      -3.117876      0.371226      5.003741
  Mo     -3.840651      2.173655      5.383751
  N      -5.171251      2.185276      6.836224
  C      -4.693224      2.243616      8.218010
  C      -3.421148      1.419590      8.333395
  N      -2.505453      1.791647      7.226310
  C      -1.569340      0.697610      6.869410
  C      -2.284460     -0.310645      5.997483
  C      -1.773046      3.052611      7.501797
  C      -1.439200      3.705089      6.172805
  N      -2.660009      3.786095      5.352535
  H      -1.532566     -0.946756      5.498980
  H      -2.915229     -0.991968      6.601600
  H      -0.742191      1.144670      6.301696
  H      -1.148727      0.233931      7.777226
  H      -1.036258      4.712363      6.359327
  H      -0.647037      3.147085      5.642752
  H      -2.442624      3.715612      8.066806
  H      -0.876728      2.853520      8.115834
  H      -5.451336      1.829390      8.903193
  H      -4.513683      3.287217      8.540176
  H      -3.672257      0.356907      8.213715
  H      -2.924985      1.554263      9.309540
  C      -3.523084     -0.557535      3.938574
  C      -2.476211     -0.637232      2.812762
  C      -2.620575      0.474059      1.789832
  O      -3.801860      0.142350      1.017617
  C      -4.347114      0.933847      0.072571
  C      -5.512879      0.441996     -0.507715
  C      -6.174918      1.176592     -1.499406
  N      -5.781234      2.358814     -1.953753
  C      -4.637113      2.858784     -1.412364
  C      -4.167978      4.114862     -1.873768
  C      -2.991209      4.628485     -1.377876
  C      -2.279699      3.878955     -0.412276
  N      -2.685568      2.715596      0.069459
  C      -3.851952      2.194881     -0.403975
  C      -2.899896      5.168707      4.910163
  C      -4.035677      5.365579      3.921284
  C      -3.629950      4.950823      2.513237
  O      -4.772284      4.572093      1.725633
  C      -5.624559      5.513005      1.273908
  C      -5.407401      6.878889      1.221964
  C      -6.419680      7.702597      0.674287
  N      -7.582554      7.282390      0.201398
  C      -7.811093      5.935975      0.254187
  C      -9.035845      5.406285     -0.223650
  C      -9.247211      4.044117     -0.173559
  C      -8.245802      3.213223      0.375978
  N      -7.100531      3.667382      0.862403
  C      -6.870817      5.004347      0.786779
  C      -6.621941      2.239257      6.661214
  C      -7.138821      3.637844      6.284716
  C      -8.535011      3.606162      5.687814
  O      -8.473989      2.682267      4.582430
  C      -9.558606      2.462319      3.827149
  C     -10.750066      3.168738      3.878027
  C     -11.787360      2.819872      2.985139
  N     -11.733946      1.838280      2.098809
  C     -10.573347      1.118772      2.053864
  C     -10.453849      0.049823      1.132071
  C      -9.278152     -0.667715      1.072710
  C      -8.214452     -0.310809      1.928694
  N      -8.281554      0.681850      2.805432
  C      -9.442661      1.389544      2.883079
  H      -3.675327     -1.557933      4.383802
  H      -4.483205     -0.242307      3.514266
  H      -1.466394     -0.580724      3.245655
  H      -2.546768     -1.607081      2.297672
  H      -1.752345      0.535791      1.120611
  H      -2.750921      1.455700      2.267504
  H      -5.896283     -0.527114     -0.189518
  H      -7.090365      0.766572     -1.939941
  H      -4.761602      4.634660     -2.628329
  H      -2.599163      5.586750     -1.722046
  H      -1.331927      4.262132     -0.017598
  H      -1.967930      5.558127      4.457021
  H      -3.083390      5.791495      5.804843
  H      -4.352047      6.418135      3.941591
  H      -4.904206      4.763001      4.226370
  H      -3.022334      4.037403      2.537879
  H      -3.048753      5.732652      1.998877
  H      -4.483606      7.332418      1.579270
  H      -6.242532      8.782457      0.628588
  H      -9.782947      6.094379     -0.622948
  H     -10.174193      3.600230     -0.538898
  H      -8.391611      2.131110      0.412532
  H      -7.120511      1.891518      7.582358
  H      -6.903371      1.539172      5.865158
  H      -6.450022      4.068608      5.540646
  H      -7.142089      4.311078      7.157825
  H      -8.829389      4.605772      5.330007
  H      -9.292062      3.249053      6.406228
  H     -10.897054      3.990134      4.578643
  H     -12.715554      3.401136      3.009739
  H     -11.304354     -0.173027      0.486153
  H      -9.155759     -1.495742      0.374352
  H      -7.266668     -0.853035      1.887103
  N      -4.962929      2.238905      4.013536
  N      -5.806891      2.096464      3.051938
  H      -6.655024      1.486744      3.180627
  H      -5.884764      2.829994      2.316734
102
Coordinates from ORCA-job orca E -6484.776955446845
  N      -3.122985      0.385794      5.001178
  Mo     -3.844836      2.186428      5.396381
  N      -5.169544      2.181830      6.853587
  C      -4.688153      2.228477      8.234979
  C      -3.413081      1.407404      8.337964
  N      -2.504064      1.792621      7.229593
  C      -1.565452      0.705212      6.859470
  C      -2.281387     -0.299777      5.984423
  C      -1.774358      3.053737      7.513582
  C      -1.446874      3.720564      6.191282
  N      -2.667573      3.800821      5.371419
  H      -1.529852     -0.929690      5.476745
  H      -2.904771     -0.988879      6.587600
  H      -0.742572      1.159465      6.291278
  H      -1.138553      0.237644      7.762503
  H      -1.052834      4.729318      6.389765
  H      -0.650820      3.176299      5.654359
  H      -2.443228      3.708463      8.088250
  H      -0.874932      2.852550      8.121848
  H      -5.441898      1.805092      8.918760
  H      -4.511225      3.269590      8.566081
  H      -3.662265      0.345269      8.208280
  H      -2.910806      1.533566      9.312373
  C      -3.537808     -0.538656      3.936458
  C      -2.497120     -0.623675      2.804935
  C      -2.639271      0.488964      1.783652
  O      -3.825447      0.164845      1.015247
  C      -4.364236      0.955214      0.066260
  C      -5.530837      0.465379     -0.514032
  C      -6.195216      1.203908     -1.501547
  N      -5.800352      2.386378     -1.953482
  C      -4.652251      2.881712     -1.416267
  C      -4.182379      4.137873     -1.875116
  C      -3.002827      4.647921     -1.382631
  C      -2.288717      3.893783     -0.423230
  N      -2.695716      2.729978      0.057125
  C      -3.865363      2.213673     -0.412506
  C      -2.891034      5.181652      4.916821
  C      -4.025555      5.381102      3.928009
  C      -3.624889      4.938347      2.525855
  O      -4.770869      4.557126      1.746210
  C      -5.600613      5.501487      1.261589
  C      -5.358273      6.861812      1.175318
  C      -6.347640      7.686988      0.588648
  N      -7.510988      7.273614      0.110506
  C      -7.765367      5.933342      0.199979
  C      -8.992573      5.411813     -0.278752
  C      -9.228346      4.055786     -0.193589
  C      -8.247378      3.223285      0.390159
  N      -7.101648      3.671688      0.879273
  C      -6.848789      5.001211      0.771807
  C      -6.621687      2.225060      6.682151
  C      -7.149655      3.616934      6.299604
  C      -8.551123      3.570675      5.716094
  O      -8.487078      2.648125      4.609796
  C      -9.567958      2.435199      3.846200
  C     -10.759557      3.140900      3.897111
  C     -11.794455      2.795683      2.998992
  N     -11.737204      1.819115      2.106254
  C     -10.576126      1.101163      2.060497
  C     -10.452499      0.037552      1.131383
  C      -9.276824     -0.680141      1.074443
  C      -8.217488     -0.329480      1.938812
  N      -8.287979      0.658457      2.821930
  C      -9.448858      1.366691      2.896275
  H      -3.693048     -1.538368      4.382596
  H      -4.499411     -0.218054      3.517851
  H      -1.484173     -0.575451      3.232421
  H      -2.576542     -1.593517      2.290877
  H      -1.772274      0.547793      1.113493
  H      -2.763567      1.470075      2.262376
  H      -5.916218     -0.502749     -0.195086
  H      -7.111044      0.795726     -1.940804
  H      -4.778945      4.662895     -2.623659
  H      -2.610584      5.607558     -1.723146
  H      -1.338752      4.273076     -0.030312
  H      -1.954033      5.554142      4.459138
  H      -3.064906      5.814391      5.806644
  H      -4.323686      6.439791      3.933377
  H      -4.904417      4.798200      4.244218
  H      -3.023909      4.021294      2.566934
  H      -3.037252      5.706097      1.997710
  H      -4.430832      7.308592      1.531667
  H      -6.150726      8.762371      0.514054
  H      -9.722433      6.101153     -0.707309
  H     -10.157710      3.618624     -0.558719
  H      -8.409976      2.145543      0.451287
  H      -7.114026      1.877859      7.607014
  H      -6.900893      1.518102      5.891208
  H      -6.473658      4.040838      5.542047
  H      -7.144504      4.297622      7.164898
  H      -8.860439      4.566413      5.361410
  H      -9.298305      3.202914      6.439357
  H     -10.909860      3.955591      4.604339
  H     -12.726040      3.370555      3.026966
  H     -11.299798     -0.180374      0.479232
  H      -9.149464     -1.503405      0.370601
  H      -7.272026     -0.875879      1.898133
  N      -4.980676      2.253723      4.034972
  N      -5.839142      2.113165      3.086146
  H      -6.670361      1.483342      3.215275
  H      -5.926329      2.838775      2.344259
102
Coordinates from ORCA-job orca E -6484.777160170941
  N      -3.133672      0.402500      4.997513
  Mo     -3.851151      2.201201      5.410738
  N      -5.171395      2.182574      6.872619
  C      -4.687509      2.213720      8.253270
  C      -3.410864      1.393223      8.342913
  N      -2.507421      1.792457      7.234818
  C      -1.566551      0.711893      6.848938
  C      -2.283690     -0.288652      5.969455
  C      -1.781111      3.052928      7.529788
  C      -1.453786      3.733235      6.213401
  N      -2.672562      3.815231      5.390388
  H      -1.532228     -0.911672      5.452102
  H      -2.899675     -0.986828      6.570996
  H      -0.748150      1.174500      6.280844
  H      -1.132891      0.238139      7.745558
  H      -1.066715      4.743476      6.423221
  H      -0.651367      3.198851      5.672883
  H      -2.452235      3.701243      8.110714
  H      -0.881167      2.848828      8.137065
  H      -5.438912      1.781296      8.933607
  H      -4.511708      3.250952      8.595711
  H      -3.659516      0.332580      8.201794
  H      -2.902740      1.508606      9.315343
  C      -3.560336     -0.516173      3.934368
  C      -2.526421     -0.612849      2.798774
  C      -2.662169      0.500239      1.776932
  O      -3.852377      0.184237      1.012290
  C      -4.383310      0.974746      0.057849
  C      -5.553076      0.491707     -0.523056
  C      -6.214242      1.233976     -1.512515
  N      -5.809736      2.412438     -1.967601
  C      -4.655887      2.898445     -1.432475
  C      -4.174778      4.148816     -1.894138
  C      -2.992904      4.652088     -1.401472
  C      -2.287240      3.897499     -0.438966
  N      -2.702811      2.737214      0.043623
  C      -3.874571      2.227236     -0.425790
  C      -2.873957      5.192510      4.914004
  C      -4.006518      5.392835      3.923316
  C      -3.614454      4.926235      2.526511
  O      -4.767190      4.544650      1.756490
  C      -5.582677      5.490525      1.252932
  C      -5.325030      6.845582      1.145787
  C      -6.299578      7.670211      0.535546
  N      -7.463045      7.261791      0.053067
  C      -7.733719      5.927571      0.165526
  C      -8.963033      5.412196     -0.313915
  C      -9.219644      4.062023     -0.198793
  C      -8.254234      3.229465      0.410652
  N      -7.104831      3.673014      0.896852
  C      -6.833451      4.996197      0.764349
  C      -6.624895      2.220815      6.702828
  C      -7.158989      3.607117      6.310874
  C      -8.566535      3.550625      5.741112
  O      -8.505520      2.619621      4.640859
  C      -9.583222      2.404645      3.873871
  C     -10.780030      3.101995      3.923407
  C     -11.806807      2.756789      3.016043
  N     -11.736927      1.789765      2.114241
  C     -10.570918      1.080176      2.069121
  C     -10.432846      0.028711      1.128241
  C      -9.251208     -0.678764      1.071758
  C      -8.200527     -0.330808      1.948750
  N      -8.285212      0.645762      2.843378
  C      -9.451705      1.344758      2.915699
  H      -3.724953     -1.513099      4.380564
  H      -4.521461     -0.187007      3.520007
  H      -1.509471     -0.577368      3.220202
  H      -2.619572     -1.582711      2.285741
  H      -1.795812      0.554082      1.106080
  H      -2.780876      1.482617      2.254191
  H      -5.947019     -0.471855     -0.198759
  H      -7.135678      0.832960     -1.949467
  H      -4.764901      4.675945     -2.643620
  H      -2.593666      5.608616     -1.742178
  H      -1.336793      4.271370     -0.044477
  H      -1.930931      5.545160      4.451370
  H      -3.040238      5.840130      5.795509
  H      -4.286862      6.455966      3.914631
  H      -4.893592      4.829927      4.250834
  H      -3.017461      4.007114      2.577262
  H      -3.024909      5.683622      1.986989
  H      -4.395145      7.287928      1.500865
  H      -6.090479      8.740966      0.444092
  H      -9.678575      6.102111     -0.765289
  H     -10.153060      3.629532     -0.560531
  H      -8.432720      2.155562      0.494515
  H      -7.112294      1.878924      7.632272
  H      -6.903823      1.505864      5.918060
  H      -6.494208      4.020054      5.539494
  H      -7.142731      4.297287      7.166427
  H      -8.884041      4.541591      5.380228
  H      -9.306891      3.183766      6.472715
  H     -10.941970      3.910283      4.635768
  H     -12.744323      3.322897      3.044395
  H     -11.274339     -0.187414      0.467823
  H      -9.110760     -1.491761      0.358573
  H      -7.251157     -0.871812      1.908468
  N      -4.992876      2.274865      4.055054
  N      -5.854849      2.132820      3.110572
  H      -6.671855      1.484251      3.232559
  H      -5.948147      2.853604      2.364456
102
Coordinates from ORCA-job orca E -6484.777334072450
  N      -3.136410      0.418895      4.990862
  Mo     -3.857265      2.212194      5.421130
  N      -5.174487      2.174843      6.886151
  C      -4.689034      2.191772      8.265855
  C      -3.409096      1.375784      8.343662
  N      -2.511121      1.792361      7.238688
  C      -1.564076      0.722329      6.838659
  C      -2.278065     -0.275088      5.952820
  C      -1.793142      3.053357      7.547045
  C      -1.468549      3.748753      6.238903
  N      -2.684620      3.828907      5.411225
  H      -1.525601     -0.887502      5.427923
  H      -2.885401     -0.982512      6.549875
  H      -0.751767      1.196469      6.271872
  H      -1.123011      0.242486      7.728357
  H      -1.091297      4.759752      6.460503
  H      -0.658748      3.227240      5.696755
  H      -2.468671      3.692049      8.132901
  H      -0.892911      2.849381      8.154259
  H      -5.438225      1.748644      8.941500
  H      -4.516703      3.225254      8.620077
  H      -3.653347      0.316078      8.191853
  H      -2.898432      1.482829      9.315426
  C      -3.570460     -0.495021      3.925114
  C      -2.541791     -0.596156      2.786192
  C      -2.672519      0.517911      1.765864
  O      -3.865709      0.206870      1.002022
  C      -4.389368      0.997814      0.044471
  C      -5.560126      0.520819     -0.538277
  C      -6.216099      1.265760     -1.528353
  N      -5.807251      2.443227     -1.981373
  C      -4.652684      2.922978     -1.444668
  C      -4.166927      4.171895     -1.904243
  C      -2.980550      4.666492     -1.412749
  C      -2.275732      3.906836     -0.452865
  N      -2.698383      2.750568      0.030062
  C      -3.874243      2.247531     -0.438139
  C      -2.872941      5.202132      4.918618
  C      -3.999088      5.400961      3.919828
  C      -3.605114      4.910107      2.531241
  O      -4.758892      4.527713      1.764352
  C      -5.560251      5.473178      1.237075
  C      -5.287499      6.823425      1.105142
  C      -6.245629      7.646242      0.468323
  N      -7.408234      7.240519     -0.017841
  C      -7.696012      5.911954      0.121683
  C      -8.925810      5.400269     -0.360424
  C      -9.201318      4.056578     -0.215346
  C      -8.254353      3.226701      0.424178
  N      -7.102663      3.665961      0.909732
  C      -6.813169      4.983111      0.750179
  C      -6.628383      2.210940      6.719520
  C      -7.166411      3.594457      6.326779
  C      -8.579161      3.530856      5.772002
  O      -8.521184      2.598566      4.671985
  C      -9.599309      2.385071      3.905057
  C     -10.796436      3.079006      3.958766
  C     -11.822489      2.735478      3.049750
  N     -11.751651      1.774721      2.141320
  C     -10.584839      1.068083      2.091914
  C     -10.445431      0.022151      1.145583
  C      -9.261213     -0.681067      1.082833
  C      -8.210843     -0.333544      1.960051
  N      -8.297550      0.636657      2.861438
  C      -9.466294      1.330950      2.940652
  H      -3.743478     -1.492268      4.366016
  H      -4.530919     -0.160360      3.513626
  H      -1.523473     -0.571575      3.203541
  H      -2.646749     -1.561626      2.269573
  H      -1.808012      0.567754      1.092940
  H      -2.786006      1.500221      2.245804
  H      -5.958061     -0.440945     -0.214122
  H      -7.136826      0.869060     -1.967053
  H      -4.756643      4.704130     -2.651321
  H      -2.577014      5.620273     -1.752518
  H      -1.320195      4.272151     -0.060964
  H      -1.925273      5.544219      4.457513
  H      -3.040690      5.859551      5.792878
  H      -4.266111      6.468124      3.894277
  H      -4.894695      4.853809      4.252936
  H      -3.014134      3.986786      2.595447
  H      -3.008017      5.657191      1.982555
  H      -4.356462      7.263370      1.459609
  H      -6.023270      8.712530      0.356577
  H      -9.624148      6.088408     -0.839513
  H     -10.135669      3.626694     -0.577553
  H      -8.448722      2.157475      0.531820
  H      -7.112599      1.870334      7.650997
  H      -6.908431      1.495451      5.936837
  H      -6.509841      4.003089      5.545188
  H      -7.141807      4.290717      7.177178
  H      -8.906364      4.518878      5.412315
  H      -9.311174      3.161750      6.511759
  H     -10.960460      3.883053      4.675638
  H     -12.762014      3.296489      3.084229
  H     -11.287668     -0.193864      0.486407
  H      -9.118805     -1.490450      0.365843
  H      -7.258601     -0.869279      1.913490
  N      -5.004101      2.289412      4.069322
  N      -5.875711      2.138954      3.136065
  H      -6.681218      1.478107      3.263501
  H      -5.984671      2.852122      2.384817
102
Coordinates from ORCA-job orca E -6484.777472276421
  N      -3.145053      0.436595      4.985194
  Mo     -3.863387      2.225889      5.434438
  N      -5.177666      2.172594      6.903710
  C      -4.689852      2.175641      8.283059
  C      -3.407878      1.360965      8.348849
  N      -2.514608      1.790070      7.243940
  C      -1.565844      0.726536      6.828770
  C      -2.280824     -0.265097      5.937216
  C      -1.799447      3.051006      7.561547
  C      -1.475992      3.759950      6.260859
  N      -2.689752      3.841148      5.430597
  H      -1.528225     -0.872449      5.404511
  H      -2.884495     -0.979887      6.531700
  H      -0.758024      1.209141      6.262215
  H      -1.118737      0.238371      7.711000
  H      -1.103804      4.771162      6.492342
  H      -0.662086      3.248088      5.716738
  H      -2.475655      3.683102      8.152300
  H      -0.900047      2.844935      8.166897
  H      -5.437833      1.722986      8.954844
  H      -4.519337      3.206176      8.649061
  H      -3.650347      0.301261      8.189657
  H      -2.894266      1.461288      9.320342
  C      -3.589028     -0.471537      3.921393
  C      -2.566501     -0.580466      2.778012
  C      -2.694102      0.537671      1.758550
  O      -3.894042      0.235535      1.001262
  C      -4.409732      1.025984      0.038949
  C      -5.586389      0.558844     -0.541784
  C      -6.230024      1.301703     -1.538592
  N      -5.807685      2.471930     -1.997392
  C      -4.649981      2.943505     -1.460588
  C      -4.156260      4.190097     -1.921916
  C      -2.970135      4.679931     -1.428191
  C      -2.270049      3.916049     -0.467209
  N      -2.701005      2.763174      0.018431
  C      -3.880000      2.266886     -0.449139
  C      -2.859551      5.208387      4.919231
  C      -3.981487      5.407766      3.914979
  C      -3.595386      4.893054      2.533835
  O      -4.753312      4.510588      1.774599
  C      -5.543137      5.454771      1.228105
  C      -5.255028      6.799649      1.072266
  C      -6.197486      7.621570      0.412002
  N      -7.359714      7.219462     -0.077344
  C      -7.664133      5.897041      0.086416
  C      -8.892528      5.389221     -0.403086
  C      -9.184485      4.052826     -0.233928
  C      -8.257133      3.225920      0.436033
  N      -7.105486      3.659847      0.926011
  C      -6.798902      4.970429      0.743074
  C      -6.631777      2.206015      6.738970
  C      -7.176576      3.586818      6.344869
  C      -8.591248      3.517590      5.795226
  O      -8.534538      2.581696      4.697657
  C      -9.611449      2.362229      3.931390
  C     -10.813407      3.045451      3.987559
  C     -11.835573      2.698037      3.075921
  N     -11.758155      1.743132      2.162172
  C     -10.586489      1.045991      2.110086
  C     -10.439177      0.007157      1.158493
  C      -9.247363     -0.682486      1.086921
  C      -8.199474     -0.328711      1.964068
  N      -8.295183      0.632242      2.873799
  C      -9.470498      1.314267      2.961666
  H      -3.771003     -1.469971      4.357312
  H      -4.548305     -0.128261      3.514466
  H      -1.542818     -0.568809      3.187278
  H      -2.686717     -1.544703      2.258445
  H      -1.834680      0.581220      1.078961
  H      -2.797458      1.520531      2.239000
  H      -5.996087     -0.395209     -0.210811
  H      -7.153297      0.911739     -1.977336
  H      -4.744956      4.727888     -2.668840
  H      -2.563895      5.634459     -1.767477
  H      -1.313997      4.276870     -0.075133
  H      -1.906587      5.536466      4.457596
  H      -3.025282      5.878024      5.785127
  H      -4.230491      6.477806      3.873171
  H      -4.885514      4.880761      4.255115
  H      -3.011156      3.967375      2.607002
  H      -2.995298      5.628383      1.974143
  H      -4.321760      7.236376      1.425088
  H      -5.960792      8.682882      0.280814
  H      -9.573023      6.075071     -0.909555
  H     -10.117227      3.625469     -0.601518
  H      -8.466227      2.162222      0.562993
  H      -7.112930      1.866477      7.672107
  H      -6.911913      1.488734      5.956963
  H      -6.524310      3.997111      5.561726
  H      -7.151352      4.285488      7.192233
  H      -8.923631      4.503230      5.432382
  H      -9.319451      3.150230      6.538969
  H     -10.984995      3.844433      4.707089
  H     -12.778202      3.251642      3.113757
  H     -11.280927     -0.213730      0.500405
  H      -9.097859     -1.485491      0.364648
  H      -7.239159     -0.848292      1.908840
  N      -5.012722      2.310489      4.085453
  N      -5.886195      2.146688      3.157236
  H      -6.686608      1.476944      3.289035
  H      -6.008423      2.853424      2.400155
102
Coordinates from ORCA-job orca E -6484.777578733616
  N      -3.150621      0.451346      4.975109
  Mo     -3.872238      2.235814      5.442293
  N      -5.183280      2.163962      6.915293
  C      -4.691874      2.150409      8.293011
  C      -3.406984      1.339574      8.345377
  N      -2.518774      1.786260      7.244047
  C      -1.564738      0.733644      6.815048
  C      -2.277192     -0.253443      5.916805
  C      -1.812096      3.047969      7.575593
  C      -1.493024      3.774825      6.285426
  N      -2.703807      3.853827      5.450231
  H      -1.522643     -0.851721      5.375842
  H      -2.874448     -0.976962      6.507437
  H      -0.762586      1.227307      6.250016
  H      -1.111127      0.238775      7.690283
  H      -1.132806      4.785811      6.530711
  H      -0.671662      3.279452      5.739776
  H      -2.492482      3.667931      8.172459
  H      -0.911983      2.841651      8.179256
  H      -5.437149      1.686526      8.959946
  H      -4.523705      3.176433      8.672554
  H      -3.644861      0.280884      8.174963
  H      -2.892374      1.431228      9.317148
  C      -3.602528     -0.454283      3.911131
  C      -2.584882     -0.571122      2.763110
  C      -2.702123      0.549754      1.746182
  O      -3.906256      0.259615      0.991330
  C      -4.412176      1.051794      0.024975
  C      -5.586662      0.589849     -0.560701
  C      -6.227144      1.339203     -1.559269
  N      -5.797114      2.507561     -2.018449
  C      -4.637107      2.971400     -1.477866
  C      -4.129477      4.210945     -1.941765
  C      -2.941128      4.692415     -1.444041
  C      -2.252465      3.927506     -0.476896
  N      -2.693841      2.779547      0.009646
  C      -3.874517      2.290670     -0.461595
  C      -2.862862      5.215354      4.922712
  C      -3.977247      5.412355      3.909487
  C      -3.589282      4.881620      2.535757
  O      -4.746871      4.499908      1.776204
  C      -5.526582      5.440779      1.210616
  C      -5.227167      6.780483      1.035098
  C      -6.157522      7.598675      0.353887
  N      -7.317852      7.197154     -0.139843
  C      -7.633782      5.880863      0.043946
  C      -8.861972      5.374919     -0.448904
  C      -9.170307      4.045541     -0.252724
  C      -8.260030      3.224392      0.446154
  N      -7.106631      3.655219      0.935814
  C      -6.783647      4.959142      0.726384
  C      -6.637896      2.197203      6.756852
  C      -7.185422      3.578828      6.364838
  C      -8.603339      3.508629      5.825960
  O      -8.550966      2.575253      4.726952
  C      -9.628036      2.350724      3.963502
  C     -10.834669      3.026688      4.021995
  C     -11.854610      2.676411      3.109561
  N     -11.771141      1.725605      2.192961
  C     -10.595108      1.034466      2.139525
  C     -10.442434     -0.002917      1.187874
  C      -9.248001     -0.689567      1.116969
  C      -8.201748     -0.332583      1.994799
  N      -8.302050      0.627941      2.904011
  C      -9.480937      1.306132      2.992330
  H      -3.790772     -1.452811      4.345088
  H      -4.560486     -0.104340      3.506999
  H      -1.560776     -0.574932      3.166944
  H      -2.721547     -1.530100      2.238992
  H      -1.844986      0.585326      1.062105
  H      -2.794117      1.532296      2.229976
  H      -6.000369     -0.363237     -0.230799
  H      -7.154075      0.955943     -1.999851
  H      -4.707937      4.747947     -2.694480
  H      -2.524536      5.640446     -1.785989
  H      -1.294636      4.282031     -0.083079
  H      -1.906064      5.534966      4.464717
  H      -3.031137      5.893641      5.780276
  H      -4.216977      6.483650      3.853279
  H      -4.886835      4.896188      4.250209
  H      -3.012288      3.951933      2.618593
  H      -2.981681      5.607469      1.971352
  H      -4.293844      7.216239      1.389091
  H      -5.911596      8.655225      0.208245
  H      -9.529690      6.056979     -0.976727
  H     -10.104593      3.618984     -0.619924
  H      -8.485332      2.166869      0.598450
  H      -7.116635      1.858409      7.692137
  H      -6.921857      1.480096      5.975785
  H      -6.536537      3.990958      5.577709
  H      -7.157121      4.279846      7.212162
  H      -8.940862      4.494091      5.467644
  H      -9.324950      3.139311      6.574369
  H     -11.011267      3.822176      4.743073
  H     -12.799232      3.227010      3.148618
  H     -11.283292     -0.227309      0.529828
  H      -9.096420     -1.493431      0.396244
  H      -7.237994     -0.849103      1.942555
  N      -5.024726      2.325557      4.096793
  N      -5.899501      2.154103      3.171804
  H      -6.699374      1.487724      3.309705
  H      -6.029988      2.856983      2.410379
102
Coordinates from ORCA-job orca E -6484.777690604130
  N      -3.154682      0.463578      4.971647
  Mo     -3.876531      2.245982      5.448922
  N      -5.186027      2.161982      6.923339
  C      -4.692631      2.135391      8.300199
  C      -3.405495      1.327732      8.343439
  N      -2.519866      1.787530      7.246116
  C      -1.561924      0.743227      6.807963
  C      -2.272139     -0.241305      5.904632
  C      -1.820675      3.049936      7.589219
  C      -1.501965      3.788800      6.304692
  N      -2.710431      3.866407      5.465720
  H      -1.516549     -0.829873      5.355956
  H      -2.862137     -0.972258      6.491701
  H      -0.764209      1.245183      6.243952
  H      -1.103457      0.244739      7.678686
  H      -1.151149      4.801165      6.559510
  H      -0.673524      3.303555      5.757879
  H      -2.506798      3.662281      8.189875
  H      -0.920008      2.842523      8.193857
  H      -5.435293      1.662758      8.963138
  H      -4.526730      3.157596      8.690217
  H      -3.639411      0.270251      8.162888
  H      -2.891598      1.411887      9.316151
  C      -3.615641     -0.440588      3.910967
  C      -2.604933     -0.566704      2.758449
  C      -2.719856      0.554011      1.740165
  O      -3.930361      0.274923      0.991599
  C      -4.430123      1.069725      0.022737
  C      -5.605504      0.613043     -0.564048
  C      -6.235498      1.360635     -1.568737
  N      -5.796660      2.524147     -2.032187
  C      -4.636944      2.984760     -1.489047
  C      -4.119701      4.218525     -1.957990
  C      -2.928481      4.693943     -1.459444
  C      -2.246985      3.927287     -0.487173
  N      -2.697569      2.784488      0.003556
  C      -3.881731      2.303001     -0.467710
  C      -2.859849      5.224573      4.925690
  C      -3.970967      5.421007      3.909717
  C      -3.579190      4.881949      2.540810
  O      -4.734338      4.500767      1.778121
  C      -5.503380      5.439401      1.195487
  C      -5.191214      6.773718      1.001797
  C      -6.110323      7.588612      0.301355
  N      -7.269823      7.188111     -0.195261
  C      -7.598344      5.877926      0.007926
  C      -8.827693      5.374428     -0.485401
  C      -9.151194      4.051816     -0.265730
  C      -8.254987      3.236030      0.457322
  N      -7.099985      3.664483      0.946075
  C      -6.761958      4.961089      0.712566
  C      -6.640373      2.188549      6.767771
  C      -7.196912      3.567325      6.379942
  C      -8.616851      3.485527      5.847908
  O      -8.563377      2.554233      4.748270
  C      -9.640624      2.328864      3.985733
  C     -10.853287      2.992718      4.057278
  C     -11.876905      2.637422      3.149522
  N     -11.789987      1.692700      2.225815
  C     -10.606244      1.015506      2.158819
  C     -10.448572     -0.014438      1.199539
  C      -9.247772     -0.687929      1.116597
  C      -8.199180     -0.324504      1.988731
  N      -8.303429      0.629739      2.904307
  C      -9.488971      1.293473      3.005458
  H      -3.806198     -1.436145      4.349137
  H      -4.572062     -0.084869      3.509341
  H      -1.577650     -0.578035      3.155718
  H      -2.753006     -1.525890      2.237854
  H      -1.865802      0.579873      1.051652
  H      -2.800297      1.538467      2.221952
  H      -6.026571     -0.335732     -0.232122
  H      -7.162545      0.980926     -2.011157
  H      -4.691776      4.754239     -2.716277
  H      -2.503195      5.636085     -1.806673
  H      -1.285409      4.276075     -0.094697
  H      -1.899628      5.534168      4.466579
  H      -3.023985      5.912135      5.777208
  H      -4.207808      6.492421      3.846377
  H      -4.882778      4.908345      4.249303
  H      -3.008747      3.949073      2.633585
  H      -2.963965      5.599881      1.974721
  H      -4.256916      7.207172      1.356016
  H      -5.855130      8.640640      0.141950
  H      -9.485851      6.053010     -1.029924
  H     -10.086714      3.626499     -0.632297
  H      -8.494995      2.185187      0.632518
  H      -7.116487      1.846013      7.702200
  H      -6.923833      1.471737      5.986136
  H      -6.553435      3.987836      5.592200
  H      -7.171266      4.266623      7.229674
  H      -8.965517      4.468640      5.493079
  H      -9.329771      3.108742      6.600386
  H     -11.031322      3.781574      4.786938
  H     -12.826308      3.178280      3.199557
  H     -11.290784     -0.243668      0.544635
  H      -9.093819     -1.486038      0.389971
  H      -7.230455     -0.829409      1.927399
  N      -5.031317      2.339895      4.105439
  N      -5.905535      2.167728      3.180600
  H      -6.706777      1.502266      3.318405
  H      -6.035418      2.865602      2.415022
102
Coordinates from ORCA-job orca E -6484.777822564811
  N      -3.156162      0.474863      4.966739
  Mo     -3.881402      2.254031      5.453945
  N      -5.189473      2.154328      6.929661
  C      -4.693783      2.114994      8.306020
  C      -3.402964      1.312840      8.340112
  N      -2.520163      1.786691      7.246431
  C      -1.558075      0.751550      6.798243
  C      -2.267822     -0.231362      5.892672
  C      -1.828409      3.050425      7.601141
  C      -1.514849      3.805617      6.325547
  N      -2.721112      3.879602      5.483643
  H      -1.512276     -0.814824      5.337565
  H      -2.854499     -0.966974      6.478090
  H      -0.766533      1.261974      6.232544
  H      -1.092644      0.251243      7.664201
  H      -1.176993      4.819232      6.593008
  H      -0.679245      3.336257      5.775629
  H      -2.518135      3.650455      8.209456
  H      -0.925439      2.842688      8.201750
  H      -5.432775      1.631821      8.965625
  H      -4.531753      3.133984      8.706538
  H      -3.631329      0.255846      8.149809
  H      -2.889960      1.390958      9.313805
  C      -3.621318     -0.426688      3.905520
  C      -2.614795     -0.557280      2.749843
  C      -2.727748      0.563601      1.733371
  O      -3.945030      0.294761      0.991871
  C      -4.439180      1.089520      0.020423
  C      -5.620925      0.639945     -0.562965
  C      -6.242938      1.385478     -1.572240
  N      -5.793776      2.541627     -2.042029
  C      -4.630636      2.997846     -1.500175
  C      -4.105972      4.226251     -1.974713
  C      -2.914050      4.698843     -1.474934
  C      -2.241087      3.933863     -0.496151
  N      -2.698257      2.795021     -0.001972
  C      -3.882114      2.316954     -0.474700
  C      -2.861538      5.233344      4.931250
  C      -3.967952      5.427771      3.911014
  C      -3.574617      4.876871      2.546935
  O      -4.730635      4.498950      1.783245
  C      -5.484369      5.437090      1.180387
  C      -5.153197      6.763771      0.964639
  C      -6.056221      7.576011      0.239393
  N      -7.215740      7.178958     -0.261435
  C      -7.562981      5.877161     -0.034460
  C      -8.792878      5.378471     -0.531058
  C      -9.134017      4.065109     -0.288951
  C      -8.256828      3.254678      0.463935
  N      -7.102540      3.679161      0.956369
  C      -6.745213      4.965320      0.697108
  C      -6.643864      2.176645      6.777793
  C      -7.206965      3.554041      6.397478
  C      -8.627711      3.465634      5.868626
  O      -8.573522      2.537524      4.766860
  C      -9.652629      2.308726      4.007635
  C     -10.869933      2.964623      4.089389
  C     -11.898714      2.603373      3.189278
  N     -11.810735      1.660652      2.263698
  C     -10.621109      0.994123      2.185162
  C     -10.460740     -0.030401      1.220355
  C      -9.256217     -0.694575      1.128617
  C      -8.204832     -0.326799      1.995621
  N      -8.310389      0.624470      2.913998
  C      -9.499869      1.277668      3.023602
  H      -3.811511     -1.421140      4.346668
  H      -4.576339     -0.067118      3.504098
  H      -1.586210     -0.574049      3.142731
  H      -2.770503     -1.516316      2.230501
  H      -1.876488      0.581223      1.040983
  H      -2.797208      1.548844      2.215676
  H      -6.050674     -0.302943     -0.227001
  H      -7.171770      1.009729     -2.014646
  H      -4.674105      4.761064     -2.737705
  H      -2.482747      5.637064     -1.826531
  H      -1.279894      4.281489     -0.102574
  H      -1.897847      5.534323      4.474706
  H      -3.023924      5.928368      5.776099
  H      -4.200095      6.499542      3.839029
  H      -4.882613      4.920151      4.250050
  H      -3.013686      3.939175      2.650833
  H      -2.949410      5.583198      1.977930
  H      -4.215990      7.191946      1.318312
  H      -5.786255      8.622265      0.061432
  H      -9.438695      6.053200     -1.095532
  H     -10.068746      3.643330     -0.659391
  H      -8.514533      2.212942      0.662894
  H      -7.117772      1.829912      7.711385
  H      -6.928408      1.460957      5.995652
  H      -6.566503      3.984650      5.612907
  H      -7.185968      4.246941      7.252250
  H      -8.983270      4.448326      5.518999
  H      -9.334901      3.081524      6.623118
  H     -11.046323      3.751878      4.822716
  H     -12.851368      3.139081      3.246593
  H     -11.304115     -0.262936      0.568072
  H      -9.102287     -1.488544      0.397514
  H      -7.234180     -0.824815      1.928749
  N      -5.039891      2.350037      4.113144
  N      -5.918083      2.175692      3.192304
  H      -6.715819      1.507267      3.333176
  H      -6.054306      2.872097      2.424459
102
Coordinates from ORCA-job orca E -6484.777943683996
  N      -3.159047      0.483017      4.961415
  Mo     -3.887765      2.258239      5.458877
  N      -5.195305      2.145678      6.935140
  C      -4.698712      2.094856      8.311492
  C      -3.404552      1.297668      8.338123
  N      -2.523456      1.783413      7.247626
  C      -1.557785      0.756341      6.789144
  C      -2.266529     -0.224786      5.880882
  C      -1.837435      3.048412      7.612014
  C      -1.526262      3.816730      6.342948
  N      -2.729975      3.888005      5.498359
  H      -1.511369     -0.802715      5.320551
  H      -2.849786     -0.964660      6.463599
  H      -0.772365      1.274661      6.221877
  H      -1.085316      0.254192      7.650069
  H      -1.198284      4.832425      6.620024
  H      -0.684637      3.358996      5.790722
  H      -2.530268      3.639052      8.226667
  H      -0.932977      2.840082      8.209436
  H      -5.434903      1.601764      8.967548
  H      -4.541017      3.111112      8.721589
  H      -3.628495      0.240903      8.139553
  H      -2.892290      1.370654      9.312749
  C      -3.625471     -0.415938      3.899668
  C      -2.621999     -0.548458      2.740546
  C      -2.732745      0.574632      1.726636
  O      -3.958457      0.318754      0.994427
  C      -4.447545      1.113073      0.020881
  C      -5.631610      0.667055     -0.560093
  C      -6.251681      1.413620     -1.570783
  N      -5.797195      2.565646     -2.045306
  C      -4.630598      3.017330     -1.506317
  C      -4.099215      4.239461     -1.988254
  C      -2.905058      4.708780     -1.490066
  C      -2.237322      3.945967     -0.505639
  N      -2.700078      2.811805     -0.006481
  C      -3.885541      2.336788     -0.478217
  C      -2.859743      5.238445      4.935091
  C      -3.962590      5.433189      3.911601
  C      -3.571274      4.870720      2.551498
  O      -4.729228      4.496933      1.788980
  C      -5.466922      5.435510      1.167659
  C      -5.116625      6.753920      0.932383
  C      -6.002376      7.563894      0.183046
  N      -7.161278      7.171670     -0.323681
  C      -7.528122      5.878968     -0.075319
  C      -8.758322      5.386027     -0.576505
  C      -9.118891      4.082346     -0.312772
  C      -8.262057      3.277027      0.469392
  N      -7.108144      3.696962      0.966135
  C      -6.730174      4.971654      0.683012
  C      -6.649686      2.168265      6.784615
  C      -7.216484      3.547744      6.415033
  C      -8.635628      3.458058      5.880022
  O      -8.578200      2.534994      4.774346
  C      -9.660436      2.297540      4.021387
  C     -10.883660      2.940596      4.112727
  C     -11.917418      2.566394      3.223678
  N     -11.828681      1.621055      2.301561
  C     -10.632957      0.967526      2.213050
  C     -10.471072     -0.059318      1.250359
  C      -9.262251     -0.714284      1.152569
  C      -8.207143     -0.335699      2.010407
  N      -8.313521      0.619859      2.924771
  C      -9.506801      1.264761      3.039253
  H      -3.814038     -1.411300      4.342031
  H      -4.580339     -0.054033      3.499273
  H      -1.591768     -0.570994      3.129127
  H      -2.784811     -1.507075      2.221943
  H      -1.886085      0.583020      1.028702
  H      -2.787741      1.559890      2.209347
  H      -6.066153     -0.273043     -0.221409
  H      -7.180871      1.040302     -2.012739
  H      -4.663461      4.771706     -2.755840
  H      -2.468080      5.642014     -1.847810
  H      -1.275010      4.291807     -0.113017
  H      -1.891545      5.529747      4.479447
  H      -3.018701      5.941648      5.774737
  H      -4.186871      6.506205      3.832626
  H      -4.881355      4.933279      4.250960
  H      -3.019015      3.930547      2.664699
  H      -2.939229      5.565458      1.978985
  H      -4.176595      7.175660      1.286035
  H      -5.717783      8.603670     -0.011233
  H      -9.390571      6.056953     -1.160814
  H     -10.053654      3.665025     -0.687309
  H      -8.539104      2.245091      0.691279
  H      -7.122421      1.815016      7.716805
  H      -6.934947      1.456157      5.998570
  H      -6.574563      3.992087      5.640071
  H      -7.204272      4.228908      7.278952
  H      -8.992737      4.441868      5.536026
  H      -9.342872      3.067252      6.631301
  H     -11.059991      3.725730      4.846610
  H     -12.875232      3.090029      3.289138
  H     -11.317001     -0.301904      0.605271
  H      -9.108953     -1.509971      0.423012
  H      -7.234024     -0.828044      1.940525
  N      -5.046925      2.357187      4.118635
  N      -5.924856      2.179132      3.197973
  H      -6.722966      1.511411      3.342595
  H      -6.064744      2.874957      2.429194
102
Coordinates from ORCA-job orca E -6484.778062450101
  N      -3.156615      0.493078      4.953975
  Mo     -3.894405      2.261313      5.465079
  N      -5.200387      2.128746      6.941011
  C      -4.703518      2.064372      8.316414
  C      -3.403845      1.276602      8.334092
  N      -2.526615      1.780968      7.249538
  C      -1.553256      0.766981      6.778868
  C      -2.258147     -0.214512      5.868377
  C      -1.851504      3.046921      7.628964
  C      -1.546647      3.833746      6.370911
  N      -2.746485      3.899046      5.520708
  H      -1.501086     -0.786818      5.303939
  H      -2.836038     -0.959632      6.449917
  H      -0.776763      1.296950      6.210467
  H      -1.070739      0.264168      7.633819
  H      -1.235312      4.850111      6.662738
  H      -0.695689      3.395996      5.817661
  H      -2.549545      3.622514      8.251237
  H      -0.944775      2.839870      8.223445
  H      -5.435846      1.557730      8.966021
  H      -4.553876      3.076537      8.738534
  H      -3.620429      0.220902      8.123511
  H      -2.891461      1.342271      9.308989
  C      -3.623805     -0.405184      3.892529
  C      -2.625939     -0.537661      2.728908
  C      -2.737698      0.586392      1.716087
  O      -3.973062      0.340890      0.996578
  C      -4.458805      1.131299      0.018425
  C      -5.648078      0.690094     -0.557280
  C      -6.264942      1.434230     -1.572706
  N      -5.801473      2.578172     -2.057580
  C      -4.630000      3.024710     -1.523215
  C      -4.090572      4.239044     -2.015689
  C      -2.898027      4.709193     -1.516643
  C      -2.237965      3.953524     -0.522005
  N      -2.705307      2.823441     -0.016712
  C      -3.890169      2.348035     -0.489097
  C      -2.869948      5.246082      4.947523
  C      -3.965193      5.438927      3.915217
  C      -3.569180      4.867012      2.560095
  O      -4.726983      4.497956      1.794886
  C      -5.448146      5.436818      1.154654
  C      -5.081096      6.747018      0.902206
  C      -5.948644      7.552988      0.128304
  N      -7.104598      7.164470     -0.387537
  C      -7.489560      5.881251     -0.120134
  C      -8.718250      5.392975     -0.628465
  C      -9.100880      4.100353     -0.340325
  C      -8.266404      3.302126      0.472654
  N      -7.112495      3.717717      0.973169
  C      -6.712604      4.979922      0.666580
  C      -6.654993      2.152815      6.791721
  C      -7.222368      3.536385      6.437240
  C      -8.638673      3.450509      5.894585
  O      -8.576250      2.535933      4.781933
  C      -9.662604      2.290946      4.036690
  C     -10.888802      2.927436      4.135559
  C     -11.928036      2.541771      3.258390
  N     -11.841928      1.591167      2.341326
  C     -10.642694      0.946015      2.243226
  C     -10.482628     -0.084286      1.283286
  C      -9.270169     -0.730915      1.177314
  C      -8.210162     -0.342215      2.024362
  N      -8.314625      0.617137      2.935391
  C      -9.510708      1.255171      3.056629
  H      -3.808691     -1.400793      4.335398
  H      -4.581267     -0.045146      3.495608
  H      -1.593857     -0.563855      3.112257
  H      -2.794486     -1.495547      2.211660
  H      -1.896935      0.586943      1.010241
  H      -2.779457      1.572731      2.198098
  H      -6.091183     -0.243227     -0.210530
  H      -7.199489      1.065753     -2.010310
  H      -4.649516      4.767231     -2.789931
  H      -2.457088      5.638909     -1.880512
  H      -1.279008      4.301942     -0.126193
  H      -1.897635      5.532522      4.498210
  H      -3.033179      5.954052      5.781896
  H      -4.185260      6.512933      3.829676
  H      -4.887976      4.943924      4.252243
  H      -3.023842      3.923742      2.682133
  H      -2.929072      5.553707      1.987071
  H      -4.139998      7.163562      1.258098
  H      -5.651560      8.586097     -0.079710
  H      -9.333431      6.058537     -1.236274
  H     -10.036303      3.687224     -0.718727
  H      -8.564093      2.281187      0.718664
  H      -7.126371      1.790193      7.721149
  H      -6.940631      1.448519      5.999670
  H      -6.577520      3.993090      5.671838
  H      -7.217626      4.204503      7.311437
  H      -8.995566      4.436834      5.557844
  H      -9.348498      3.052730      6.640405
  H     -11.063758      3.715219      4.867029
  H     -12.889775      3.058120      3.330517
  H     -11.332616     -0.336107      0.647375
  H      -9.118225     -1.528109      0.448962
  H      -7.235555     -0.830671      1.949163
  N      -5.054914      2.362755      4.126905
  N      -5.933091      2.182890      3.206842
  H      -6.726971      1.510530      3.352352
  H      -6.080127      2.882259      2.442558
102
Coordinates from ORCA-job orca E -6484.778180592491
  N      -3.157758      0.501118      4.947467
  Mo     -3.902381      2.262850      5.470327
  N      -5.206968      2.115423      6.945349
  C      -4.710605      2.044850      8.320520
  C      -3.407743      1.262634      8.333068
  N      -2.532790      1.778567      7.251573
  C      -1.554792      0.772828      6.771058
  C      -2.257568     -0.207854      5.859071
  C      -1.862648      3.044008      7.640701
  C      -1.562247      3.844850      6.390081
  N      -2.759855      3.905913      5.537184
  H      -1.499691     -0.777139      5.293865
  H      -2.833248     -0.955481      6.439090
  H      -0.785078      1.311058      6.201252
  H      -1.064072      0.269148      7.620842
  H      -1.262572      4.862161      6.692818
  H      -0.704449      3.421835      5.835487
  H      -2.561656      3.610628      8.270316
  H      -0.953760      2.835819      8.230977
  H      -5.440870      1.529936      8.966602
  H      -4.566849      3.055534      8.749074
  H      -3.621044      0.207264      8.115816
  H      -2.894449      1.323792      9.307981
  C      -3.620584     -0.394926      3.881665
  C      -2.621712     -0.521893      2.718051
  C      -2.732452      0.604741      1.709241
  O      -3.974381      0.367675      0.998545
  C      -4.461041      1.154922      0.019540
  C      -5.654352      0.716650     -0.548728
  C      -6.273659      1.460965     -1.562655
  N      -5.807925      2.601861     -2.053607
  C      -4.631490      3.043539     -1.527516
  C      -4.086564      4.251614     -2.029079
  C      -2.888541      4.716338     -1.537186
  C      -2.228792      3.963819     -0.539620
  N      -2.700358      2.839217     -0.027909
  C      -3.889905      2.366992     -0.494564
  C      -2.873752      5.248814      4.954198
  C      -3.964369      5.439951      3.916096
  C      -3.568393      4.855315      2.566563
  O      -4.728314      4.494073      1.801709
  C      -5.429275      5.433699      1.140607
  C      -5.039688      6.732679      0.864955
  C      -5.887362      7.535536      0.066664
  N      -7.045145      7.155096     -0.451173
  C      -7.454536      5.884616     -0.159113
  C      -8.687285      5.405449     -0.666021
  C      -9.094462      4.126161     -0.351923
  C      -8.279926      3.332400      0.484823
  N      -7.122267      3.740172      0.983934
  C      -6.698437      4.987756      0.653278
  C      -6.661894      2.141144      6.795626
  C      -7.227661      3.527250      6.447408
  C      -8.643522      3.446386      5.899886
  O      -8.581535      2.532981      4.786855
  C      -9.673886      2.274811      4.054960
  C     -10.904770      2.901318      4.162204
  C     -11.947108      2.504978      3.295093
  N     -11.860778      1.554373      2.379527
  C     -10.657627      0.918437      2.272385
  C     -10.497927     -0.113244      1.314192
  C      -9.280448     -0.750152      1.199096
  C      -8.216494     -0.351028      2.036099
  N      -8.320995      0.609075      2.946275
  C      -9.521113      1.238663      3.075375
  H      -3.804317     -1.392108      4.320390
  H      -4.579506     -0.038990      3.484667
  H      -1.589827     -0.547802      3.102922
  H      -2.788478     -1.478672      2.196452
  H      -1.896762      0.603047      0.997669
  H      -2.764859      1.589749      2.194709
  H      -6.100823     -0.213628     -0.196771
  H      -7.212713      1.095860     -1.993311
  H      -4.645349      4.779589     -2.804013
  H      -2.443339      5.640728     -1.907308
  H      -1.266485      4.308448     -0.147102
  H      -1.898502      5.525767      4.506004
  H      -3.035019      5.962631      5.783215
  H      -4.178800      6.514283      3.823204
  H      -4.890826      4.952496      4.253921
  H      -3.032349      3.907795      2.696478
  H      -2.919252      5.531470      1.991263
  H      -4.093924      7.141096      1.218369
  H      -5.572075      8.559296     -0.161327
  H      -9.285486      6.066468     -1.294908
  H     -10.034286      3.721128     -0.729012
  H      -8.596891      2.322426      0.751536
  H      -7.131288      1.775103      7.724616
  H      -6.947285      1.439810      6.001214
  H      -6.579991      3.987943      5.685848
  H      -7.224823      4.188714      7.327243
  H      -8.995567      4.433476      5.562291
  H      -9.357607      3.051101      6.643171
  H     -11.081547      3.691204      4.890530
  H     -12.913947      3.013573      3.372463
  H     -11.351944     -0.374832      0.687701
  H      -9.128046     -1.548070      0.471587
  H      -7.238720     -0.833830      1.953963
  N      -5.063045      2.364763      4.131782
  N      -5.942034      2.183201      3.212592
  H      -6.730599      1.505137      3.358336
  H      -6.091883      2.886365      2.452743
102
Coordinates from ORCA-job orca E -6484.778210919601
  N      -3.161673      0.511153      4.944695
  Mo     -3.905182      2.270445      5.476833
  N      -5.215280      2.115218      6.945203
  C      -4.726171      2.035316      8.321998
  C      -3.424098      1.251822      8.334855
  N      -2.544611      1.775067      7.260671
  C      -1.564677      0.772799      6.775951
  C      -2.264232     -0.202805      5.856009
  C      -1.875278      3.036253      7.663039
  C      -1.568851      3.847045      6.420578
  N      -2.760463      3.911530      5.559586
  H      -1.504001     -0.770020      5.291148
  H      -2.841791     -0.953615      6.430801
  H      -0.794212      1.315884      6.211749
  H      -1.075184      0.264184      7.623602
  H      -1.274011      4.862481      6.733439
  H      -0.705795      3.430933      5.869131
  H      -2.576128      3.598402      8.294230
  H      -0.969169      2.822478      8.255847
  H      -5.460130      1.516093      8.960216
  H      -4.584778      3.042817      8.758263
  H      -3.638293      0.198625      8.108844
  H      -2.913757      1.304621      9.311747
  C      -3.622748     -0.380826      3.874668
  C      -2.625832     -0.496779      2.709153
  C      -2.748177      0.630286      1.702168
  O      -3.996162      0.389992      1.003008
  C      -4.490801      1.170301      0.022510
  C      -5.695824      0.736963     -0.523720
  C      -6.327248      1.480332     -1.530721
  N      -5.860436      2.613834     -2.037830
  C      -4.671301      3.048605     -1.536000
  C      -4.124595      4.248900     -2.055078
  C      -2.917639      4.709367     -1.583147
  C      -2.250361      3.961578     -0.586999
  N      -2.721839      2.843400     -0.060862
  C      -3.919680      2.374596     -0.508794
  C      -2.863402      5.251670      4.968194
  C      -3.951495      5.441325      3.926456
  C      -3.560710      4.838461      2.583286
  O      -4.726015      4.486844      1.821675
  C      -5.400013      5.428949      1.136995
  C      -4.972235      6.708296      0.829820
  C      -5.793564      7.515135      0.009435
  N      -6.961539      7.157029     -0.500605
  C      -7.410127      5.908227     -0.176184
  C      -8.657738      5.456076     -0.670374
  C      -9.106856      4.200086     -0.321622
  C      -8.317548      3.402285      0.534710
  N      -7.145912      3.784755      1.021639
  C      -6.682143      5.009020      0.659376
  C      -6.669730      2.140064      6.787576
  C      -7.235094      3.527019      6.441076
  C      -8.645025      3.443698      5.878965
  O      -8.568030      2.532382      4.764724
  C      -9.660512      2.249403      4.042776
  C     -10.900068      2.858117      4.151178
  C     -11.940436      2.437916      3.293012
  N     -11.844393      1.480233      2.385198
  C     -10.632831      0.860071      2.278418
  C     -10.463550     -0.180053      1.331113
  C      -9.237977     -0.802021      1.218020
  C      -8.176466     -0.379654      2.046594
  N      -8.289304      0.589602      2.945847
  C      -9.497226      1.205152      3.072947
  H      -3.802131     -1.381214      4.307529
  H      -4.584631     -0.028696      3.481862
  H      -1.593437     -0.514565      3.092247
  H      -2.784718     -1.452958      2.185661
  H      -1.918880      0.632652      0.983187
  H      -2.779563      1.614929      2.189118
  H      -6.143812     -0.186942     -0.157816
  H      -7.278047      1.121640     -1.940224
  H      -4.690318      4.775824     -2.825503
  H      -2.471974      5.628942     -1.965281
  H      -1.283128      4.304468     -0.206224
  H      -1.885703      5.518561      4.519737
  H      -3.022470      5.971889      5.791890
  H      -4.158139      6.516693      3.822941
  H      -4.882456      4.964609      4.269459
  H      -3.036572      3.884692      2.721814
  H      -2.902060      5.501585      2.002175
  H      -4.014932      7.097010      1.174193
  H      -5.446940      8.522090     -0.244740
  H      -9.233795      6.119637     -1.316744
  H     -10.060491      3.817121     -0.686782
  H      -8.666526      2.409947      0.827510
  H      -7.143276      1.768825      7.712580
  H      -6.948538      1.441857      5.988128
  H      -6.581874      3.991637      5.686704
  H      -7.241508      4.184626      7.323909
  H      -8.997202      4.429987      5.538288
  H      -9.365495      3.045032      6.614358
  H     -11.086030      3.653064      4.871945
  H     -12.914733      2.932519      3.370203
  H     -11.317204     -0.460594      0.712294
  H      -9.076954     -1.606175      0.499315
  H      -7.193369     -0.852080      1.966315
  N      -5.060139      2.388233      4.134825
  N      -5.937483      2.221685      3.210753
  H      -6.742771      1.563973      3.357957
  H      -6.074368      2.934842      2.458783
102
Coordinates from ORCA-job orca E -6484.778238342528
  N      -3.141443      0.509546      4.945707
  Mo     -3.908738      2.256037      5.484112
  N      -5.218969      2.084060      6.950388
  C      -4.732222      1.999366      8.327614
  C      -3.422110      1.229348      8.337908
  N      -2.547962      1.772160      7.269091
  C      -1.551397      0.787032      6.782922
  C      -2.231917     -0.193993      5.853492
  C      -1.899438      3.041319      7.680077
  C      -1.596705      3.859179      6.440229
  N      -2.783384      3.909596      5.570714
  H      -1.459744     -0.742611      5.285763
  H      -2.796099     -0.960765      6.421600
  H      -0.785972      1.345712      6.226584
  H      -1.058694      0.280028      7.629778
  H      -1.315547      4.878003      6.755451
  H      -0.725003      3.453836      5.893395
  H      -2.611743      3.593055      8.307830
  H      -0.994735      2.837717      8.279046
  H      -5.463379      1.469706      8.960330
  H      -4.601189      3.005031      8.771026
  H      -3.624094      0.175780      8.103043
  H      -2.913722      1.279836      9.315939
  C      -3.578505     -0.379011      3.863034
  C      -2.569449     -0.456563      2.705532
  C      -2.713084      0.676195      1.706574
  O      -3.948819      0.412255      0.993800
  C      -4.448132      1.186420      0.009929
  C      -5.653764      0.749166     -0.529077
  C      -6.294177      1.490907     -1.530872
  N      -5.831899      2.623255     -2.044798
  C      -4.639438      3.059731     -1.554869
  C      -4.096241      4.259057     -2.081469
  C      -2.886705      4.721043     -1.619232
  C      -2.214421      3.977563     -0.622758
  N      -2.683008      2.861524     -0.088552
  C      -3.882061      2.390524     -0.528560
  C      -2.901180      5.246574      4.972575
  C      -3.980990      5.411610      3.917779
  C      -3.560219      4.818262      2.579303
  O      -4.708434      4.444707      1.801097
  C      -5.383862      5.375027      1.102460
  C      -4.960260      6.654220      0.790352
  C      -5.780360      7.453553     -0.037861
  N      -6.946071      7.089454     -0.548272
  C      -7.391293      5.841203     -0.218979
  C      -8.639454      5.386513     -0.709141
  C      -9.085778      4.131479     -0.356507
  C      -8.292133      3.335345      0.496912
  N      -7.120226      3.719913      0.981557
  C      -6.660952      4.945948      0.618845
  C      -6.674364      2.109423      6.793513
  C      -7.240807      3.505310      6.482531
  C      -8.656389      3.440038      5.931737
  O      -8.592929      2.565620      4.786804
  C      -9.700510      2.286354      4.087386
  C     -10.942868      2.878264      4.240698
  C     -11.998740      2.469328      3.394383
  N     -11.914197      1.535616      2.459068
  C     -10.699994      0.927977      2.312548
  C     -10.542650     -0.089316      1.339001
  C      -9.315393     -0.699772      1.187682
  C      -8.240353     -0.286520      2.003558
  N      -8.340774      0.663230      2.924125
  C      -9.550736      1.265215      3.091371
  H      -3.739447     -1.389398      4.281457
  H      -4.545257     -0.042962      3.469251
  H      -1.541480     -0.448590      3.098864
  H      -2.694211     -1.410175      2.171238
  H      -1.878952      0.707103      0.994706
  H      -2.773613      1.655258      2.202330
  H      -6.095835     -0.174891     -0.158705
  H      -7.247740      1.131696     -1.928984
  H      -4.666642      4.783751     -2.849187
  H      -2.443436      5.639887     -2.006646
  H      -1.246167      4.322547     -0.246323
  H      -1.923344      5.528270      4.532068
  H      -3.083101      5.968306      5.791313
  H      -4.210779      6.482299      3.810294
  H      -4.905618      4.914390      4.250612
  H      -3.017367      3.875000      2.721126
  H      -2.908609      5.498075      2.008280
  H      -4.007108      7.049667      1.138872
  H      -5.434648      8.459225     -0.297030
  H      -9.218141      6.049488     -1.353816
  H     -10.040347      3.747758     -0.716540
  H      -8.636406      2.340957      0.789010
  H      -7.146333      1.715197      7.710237
  H      -6.953090      1.430115      5.976574
  H      -6.593850      3.984183      5.732867
  H      -7.235486      4.144056      7.378662
  H      -9.011445      4.437068      5.624220
  H      -9.369850      3.019156      6.660999
  H     -11.120298      3.652905      4.985132
  H     -12.973669      2.952902      3.504928
  H     -11.407392     -0.362551      0.732122
  H      -9.161837     -1.487669      0.449751
  H      -7.255773     -0.748789      1.892752
  N      -5.063495      2.368944      4.141995
  N      -5.937281      2.202531      3.214016
  H      -6.724133      1.518841      3.343825
  H      -6.094008      2.932536      2.483886
102
Coordinates from ORCA-job orca E -6484.777192766882
  N      -3.145014      0.507512      4.954445
  Mo     -3.914002      2.254235      5.486474
  N      -5.228101      2.089695      6.950094
  C      -4.746992      2.013045      8.329700
  C      -3.439312      1.238690      8.348029
  N      -2.561307      1.774374      7.278133
  C      -1.564141      0.785059      6.800748
  C      -2.238989     -0.194595      5.866207
  C      -1.909621      3.042905      7.684366
  C      -1.598260      3.850778      6.438646
  N      -2.784252      3.905746      5.568690
  H      -1.463116     -0.739806      5.302435
  H      -2.803753     -0.963759      6.429562
  H      -0.792203      1.341562      6.250947
  H      -1.079808      0.276367      7.651462
  H      -1.307853      4.870201      6.746753
  H      -0.729176      3.433799      5.894493
  H      -2.621608      3.604313      8.305223
  H      -1.009066      2.837961      8.289173
  H      -5.482923      1.489432      8.962571
  H      -4.614820      3.021224      8.768172
  H      -3.644292      0.184282      8.117856
  H      -2.933050      1.291836      9.327295
  C      -3.570048     -0.382422      3.867348
  C      -2.543195     -0.457220      2.724526
  C      -2.693783      0.655621      1.703590
  O      -3.902219      0.342157      0.965050
  C      -4.396421      1.078220     -0.050471
  C      -5.575864      0.596651     -0.603338
  C      -6.207789      1.291507     -1.643136
  N      -5.757882      2.416757     -2.184455
  C      -4.586753      2.893236     -1.684708
  C      -4.050127      4.081008     -2.243771
  C      -2.853312      4.574025     -1.777486
  C      -2.188946      3.876674     -0.741800
  N      -2.654349      2.776559     -0.174274
  C      -3.839469      2.273528     -0.619300
  C      -2.909592      5.255717      4.999802
  C      -3.988540      5.445169      3.949507
  C      -3.551150      4.916944      2.590931
  O      -4.689339      4.558068      1.793431
  C      -5.388281      5.505556      1.142692
  C      -4.992804      6.805427      0.882125
  C      -5.840384      7.626132      0.103758
  N      -7.009051      7.264250     -0.401677
  C      -7.426455      5.994338     -0.121334
  C      -8.677009      5.539473     -0.606413
  C      -9.091412      4.260546     -0.305012
  C      -8.264057      3.439150      0.490137
  N      -7.089920      3.822491      0.971140
  C      -6.663966      5.074678      0.659699
  C      -6.683514      2.108742      6.789286
  C      -7.256458      3.503076      6.481672
  C      -8.676776      3.434421      5.942230
  O      -8.617165      2.568683      4.790462
  C      -9.730138      2.268241      4.109387
  C     -10.981294      2.833594      4.282569
  C     -12.038445      2.412812      3.442944
  N     -11.946670      1.493009      2.494639
  C     -10.723828      0.907032      2.332453
  C     -10.558819     -0.098554      1.348996
  C      -9.322715     -0.687779      1.180808
  C      -8.247595     -0.263700      1.991241
  N      -8.355253      0.675173      2.921355
  C      -9.573837      1.256160      3.106067
  H      -3.733405     -1.393905      4.283153
  H      -4.533859     -0.050966      3.463841
  H      -1.522051     -0.421097      3.134552
  H      -2.637198     -1.420676      2.200732
  H      -1.845800      0.700054      1.010778
  H      -2.794726      1.639914      2.181717
  H      -6.004135     -0.325564     -0.212578
  H      -7.143430      0.899571     -2.047386
  H      -4.612404      4.568980     -3.040362
  H      -2.413303      5.481691     -2.190473
  H      -1.228335      4.244381     -0.362026
  H      -1.933369      5.553744      4.564246
  H      -3.095200      5.956838      5.836791
  H      -4.233394      6.515006      3.882107
  H      -4.906934      4.923258      4.258540
  H      -2.990880      3.979274      2.691315
  H      -2.912073      5.634902      2.053696
  H      -4.042308      7.204101      1.235103
  H      -5.514847      8.647778     -0.116997
  H      -9.280057      6.221191     -1.207848
  H     -10.046522      3.875905     -0.662694
  H      -8.578240      2.421903      0.732951
  H      -7.154565      1.708459      7.703935
  H      -6.956684      1.430997      5.967849
  H      -6.616773      3.980961      5.725233
  H      -7.242666      4.144959      7.375413
  H      -9.038427      4.431130      5.641461
  H      -9.383276      3.006575      6.672912
  H     -11.165458      3.598037      5.034552
  H     -13.019568      2.877040      3.568245
  H     -11.425164     -0.380201      0.747940
  H      -9.161120     -1.467215      0.435834
  H      -7.254565     -0.705529      1.864740
  N      -5.066075      2.362263      4.141118
  N      -5.936535      2.193993      3.209257
  H      -6.727805      1.514729      3.337237
  H      -6.074579      2.910216      2.462378
102
Coordinates from ORCA-job orca E -6484.778105480492
  N      -3.174082      0.500061      4.951114
  Mo     -3.921425      2.258688      5.476451
  N      -5.226546      2.110290      6.949490
  C      -4.736955      2.038366      8.325783
  C      -3.433550      1.257161      8.339645
  N      -2.558993      1.777588      7.260723
  C      -1.575545      0.776061      6.781439
  C      -2.268324     -0.205234      5.861610
  C      -1.893886      3.042070      7.655758
  C      -1.587709      3.843183      6.407623
  N      -2.777273      3.900616      5.543062
  H      -1.502727     -0.764510      5.295596
  H      -2.837133     -0.962540      6.436805
  H      -0.805326      1.321072      6.218942
  H      -1.086660      0.270624      7.631474
  H      -1.293786      4.860409      6.712327
  H      -0.723294      3.423554      5.861587
  H      -2.596718      3.608608      8.280361
  H      -0.989032      2.833904      8.253288
  H      -5.470176      1.520838      8.965432
  H      -4.597689      3.047431      8.758143
  H      -3.646542      0.203246      8.117979
  H      -2.920298      1.313651      9.314600
  C      -3.623196     -0.388374      3.872925
  C      -2.618173     -0.478990      2.712332
  C      -2.749618      0.656110      1.713728
  O      -3.991122      0.411399      1.005749
  C      -4.486295      1.201722      0.032052
  C      -5.695744      0.779483     -0.511492
  C      -6.324792      1.529972     -1.514238
  N      -5.849440      2.659820     -2.022145
  C      -4.654286      3.083119     -1.526237
  C      -4.094244      4.275177     -2.051664
  C      -2.876960      4.718932     -1.591066
  C      -2.213119      3.964413     -0.597507
  N      -2.697397      2.854632     -0.063264
  C      -3.904439      2.400991     -0.502207
  C      -2.873920      5.238317      4.941875
  C      -3.946625      5.431049      3.885998
  C      -3.531412      4.839687      2.546568
  O      -4.686606      4.501249      1.764245
  C      -5.346946      5.447962      1.071420
  C      -4.900920      6.717279      0.748549
  C      -5.714852      7.529899     -0.073286
  N      -6.893754      7.187084     -0.568067
  C      -7.360673      5.950401     -0.225261
  C      -8.624404      5.518082     -0.696251
  C      -9.093872      4.276144     -0.324224
  C      -8.307492      3.471023      0.527795
  N      -7.119723      3.832879      0.991962
  C      -6.639317      5.045725      0.610033
  C      -6.681281      2.122227      6.794135
  C      -7.259899      3.505494      6.457278
  C      -8.673130      3.411184      5.908729
  O      -8.591552      2.519481      4.777966
  C      -9.693525      2.204587      4.084634
  C     -10.942244      2.787385      4.218153
  C     -11.989808      2.347960      3.377005
  N     -11.890299      1.397471      2.460499
  C     -10.669070      0.799854      2.332601
  C     -10.495831     -0.232425      1.377941
  C      -9.261890     -0.833171      1.244269
  C      -8.197104     -0.397312      2.061683
  N      -8.312827      0.565734      2.966467
  C      -9.528563      1.161878      3.113410
  H      -3.795737     -1.394908      4.293013
  H      -4.587466     -0.040874      3.482095
  H      -1.588716     -0.482162      3.103766
  H      -2.754986     -1.431862      2.177467
  H      -1.917379      0.677634      0.999354
  H      -2.797456      1.635658      2.211189
  H      -6.149034     -0.140900     -0.143956
  H      -7.283843      1.182925     -1.915057
  H      -4.657505      4.808233     -2.819042
  H      -2.419732      5.629533     -1.980451
  H      -1.233881      4.289834     -0.231151
  H      -1.891101      5.501726      4.502958
  H      -3.041607      5.962689      5.760385
  H      -4.153954      6.506143      3.782647
  H      -4.881651      4.951812      4.212541
  H      -3.013237      3.881959      2.684756
  H      -2.860692      5.507651      1.983989
  H      -3.936368      7.095540      1.083843
  H      -5.351638      8.526812     -0.341576
  H      -9.195012      6.187020     -1.342013
  H     -10.062099      3.909432     -0.668050
  H      -8.671799      2.488727      0.836863
  H      -7.150477      1.739104      7.716213
  H      -6.953650      1.428400      5.989061
  H      -6.617487      3.975150      5.696451
  H      -7.260928      4.163892      7.339388
  H      -9.042826      4.396928      5.583696
  H      -9.380967      2.992096      6.644083
  H     -11.130205      3.579866      4.942130
  H     -12.970634      2.824804      3.472590
  H     -11.353782     -0.523145      0.769641
  H      -9.095237     -1.631261      0.520330
  H      -7.206391     -0.850587      1.963550
  N      -5.084057      2.363298      4.140496
  N      -5.965052      2.189724      3.220018
  H      -6.771126      1.535848      3.374616
  H      -6.094273      2.885292      2.451246
102
Coordinates from ORCA-job orca E -6484.777615664502
  N      -3.147442      0.515661      4.939121
  Mo     -3.903942      2.266925      5.478293
  N      -5.219248      2.096859      6.941807
  C      -4.734026      2.002892      8.319936
  C      -3.425237      1.230097      8.329021
  N      -2.546260      1.770620      7.262651
  C      -1.556269      0.780287      6.775125
  C      -2.244056     -0.195453      5.845575
  C      -1.891531      3.037243      7.676272
  C      -1.584583      3.859516      6.441272
  N      -2.769152      3.914282      5.570904
  H      -1.476449     -0.747991      5.275826
  H      -2.814260     -0.957989      6.412013
  H      -0.788110      1.333764      6.217948
  H      -1.066884      0.269920      7.621572
  H      -1.305204      4.877115      6.762046
  H      -0.712149      3.457031      5.894188
  H      -2.602577      3.587632      8.306158
  H      -0.987461      2.829245      8.273609
  H      -5.466179      1.470989      8.949742
  H      -4.601354      3.006046      8.768859
  H      -3.629193      0.177399      8.090989
  H      -2.919492      1.277106      9.308543
  C      -3.592951     -0.367291      3.855760
  C      -2.584938     -0.466227      2.697098
  C      -2.709925      0.664025      1.694430
  O      -3.949312      0.419493      0.981874
  C      -4.437283      1.207780      0.003960
  C      -5.640164      0.779246     -0.553279
  C      -6.264517      1.529762     -1.559343
  N      -5.791977      2.664329     -2.056860
  C      -4.603346      3.093718     -1.546842
  C      -4.048914      4.292404     -2.060841
  C      -2.843654      4.748522     -1.580499
  C      -2.187159      3.997146     -0.580296
  N      -2.665229      2.878605     -0.059875
  C      -3.859802      2.413652     -0.518143
  C      -2.870155      5.246089      4.962036
  C      -3.963554      5.416324      3.922535
  C      -3.583091      4.784515      2.589253
  O      -4.754704      4.417637      1.841686
  C      -5.430539      5.343010      1.135053
  C      -5.001654      6.616053      0.802579
  C      -5.811961      7.399700     -0.051102
  N      -6.967969      7.022521     -0.575143
  C      -7.417092      5.780106     -0.228242
  C      -8.649032      5.308069     -0.743376
  C      -9.098265      4.057571     -0.377628
  C      -8.326255      3.286234      0.518740
  N      -7.169366      3.687297      1.024896
  C      -6.703653      4.906310      0.645902
  C      -6.673199      2.124988      6.783603
  C      -7.242147      3.522674      6.490304
  C      -8.659329      3.456107      5.945198
  O      -8.593965      2.603147      4.784642
  C      -9.705697      2.310359      4.094972
  C     -10.958323      2.875491      4.272082
  C     -12.019731      2.449367      3.442000
  N     -11.929806      1.525175      2.499524
  C     -10.704728      0.947777      2.325966
  C     -10.541357     -0.058806      1.341548
  C      -9.307479     -0.649342      1.173321
  C      -8.230216     -0.227948      1.982066
  N      -8.335525      0.715813      2.908906
  C      -9.551080      1.300362      3.088997
  H      -3.767890     -1.373242      4.278362
  H      -4.553156     -0.013819      3.458799
  H      -1.555583     -0.472654      3.088700
  H      -2.726795     -1.422908      2.168732
  H      -1.872660      0.676701      0.985227
  H      -2.755616      1.646050      2.186133
  H      -6.090593     -0.147263     -0.197532
  H      -7.213503      1.174387     -1.977534
  H      -4.608494      4.822636     -2.834098
  H      -2.392122      5.667173     -1.959063
  H      -1.221864      4.337386     -0.193925
  H      -1.892789      5.504345      4.507680
  H      -3.026466      5.979533      5.774344
  H      -4.171315      6.489218      3.797078
  H      -4.891447      4.945664      4.279609
  H      -3.061579      3.833036      2.747191
  H      -2.924805      5.430691      1.991613
  H      -4.051094      7.016511      1.151771
  H      -5.463409      8.401401     -0.324596
  H      -9.212423      5.952427     -1.420212
  H     -10.038695      3.658793     -0.759114
  H      -8.678656      2.300440      0.829392
  H      -7.147396      1.720518      7.694203
  H      -6.952604      1.455296      5.960589
  H      -6.597715      4.016798      5.747167
  H      -7.240093      4.147837      7.396034
  H      -9.025028      4.455142      5.660818
  H      -9.363683      3.013413      6.671266
  H     -11.138086      3.639191      5.027486
  H     -13.005645      2.907294      3.576681
  H     -11.407732     -0.341993      0.742129
  H      -9.152583     -1.430572      0.428367
  H      -7.242371     -0.680444      1.865367
  N      -5.050142      2.389551      4.129994
  N      -5.918617      2.227691      3.197178
  H      -6.719782      1.560692      3.325878
  H      -6.049481      2.944826      2.448756
102
Coordinates from ORCA-job orca E -6484.778288829813
  N      -3.172083      0.523420      4.941431
  Mo     -3.926472      2.270738      5.494247
  N      -5.226812      2.092799      6.969083
  C      -4.732606      1.999519      8.343478
  C      -3.423382      1.227448      8.339965
  N      -2.555144      1.772354      7.266580
  C      -1.566708      0.785799      6.766706
  C      -2.259128     -0.187913      5.838356
  C      -1.899517      3.037828      7.679593
  C      -1.601464      3.863498      6.443718
  N      -2.790608      3.919184      5.579266
  H      -1.494239     -0.735438      5.261576
  H      -2.821691     -0.954928      6.406183
  H      -0.804405      1.344200      6.205979
  H      -1.068736      0.272725      7.606632
  H      -1.320516      4.881546      6.764766
  H      -0.730925      3.462852      5.890580
  H      -2.606266      3.587371      8.316100
  H      -0.991494      2.828234      8.270549
  H      -5.460063      1.465164      8.977235
  H      -4.598919      3.002556      8.793180
  H      -3.629390      0.174968      8.101498
  H      -2.908081      1.272075      9.314850
  C      -3.621202     -0.358619      3.858462
  C      -2.612832     -0.455166      2.700112
  C      -2.739002      0.671621      1.693393
  O      -3.976060      0.420463      0.979333
  C      -4.456762      1.192454     -0.014926
  C      -5.661844      0.763681     -0.561764
  C      -6.277521      1.496694     -1.585989
  N      -5.792007      2.613149     -2.113043
  C      -4.600939      3.042185     -1.612579
  C      -4.032013      4.221785     -2.154750
  C      -2.821685      4.674891     -1.683117
  C      -2.175400      3.942147     -0.661638
  N      -2.667620      2.843243     -0.114615
  C      -3.866731      2.380117     -0.564787
  C      -2.888621      5.254405      4.974538
  C      -3.965306      5.433478      3.919329
  C      -3.547777      4.846155      2.577389
  O      -4.698858      4.485580      1.797761
  C      -5.375259      5.421256      1.106430
  C      -4.954359      6.704158      0.804030
  C      -5.772669      7.504903     -0.025350
  N      -6.932887      7.137697     -0.546978
  C      -7.375818      5.885961     -0.226224
  C      -8.616914      5.426758     -0.730943
  C      -9.060332      4.168123     -0.387243
  C      -8.271965      3.373320      0.473033
  N      -7.105384      3.760832      0.968562
  C      -6.648636      4.990581      0.614383
  C      -6.682016      2.106424      6.817072
  C      -7.263163      3.497527      6.515061
  C      -8.677742      3.417147      5.963140
  O      -8.600530      2.559927      4.805779
  C      -9.708704      2.252965      4.117416
  C     -10.961246      2.821062      4.278664
  C     -12.015587      2.390657      3.441840
  N     -11.919763      1.460030      2.506336
  C     -10.695584      0.875780      2.351164
  C     -10.526381     -0.137703      1.375497
  C      -9.291604     -0.731597      1.220518
  C      -8.220886     -0.307378      2.036382
  N      -8.332338      0.640999      2.957434
  C      -9.548240      1.231018      3.124053
  H      -3.795487     -1.366093      4.278641
  H      -4.583204     -0.007694      3.465186
  H      -1.584376     -0.456187      3.094130
  H      -2.748234     -1.412549      2.171882
  H      -1.902229      0.684615      0.984729
  H      -2.787296      1.654889      2.181712
  H      -6.121939     -0.148694     -0.182047
  H      -7.229336      1.142414     -1.993168
  H      -4.583575      4.739107     -2.941557
  H      -2.358692      5.577920     -2.082325
  H      -1.207149      4.280814     -0.277743
  H      -1.905850      5.520112      4.534427
  H      -3.058878      5.981215      5.791144
  H      -4.185745      6.505950      3.816221
  H      -4.893867      4.942307      4.247229
  H      -3.012780      3.899150      2.714515
  H      -2.890254      5.522370      2.012051
  H      -4.004591      7.101526      1.159831
  H      -5.429379      8.514097     -0.276629
  H      -9.191891      6.088555     -1.380274
  H     -10.008899      3.780444     -0.759534
  H      -8.618559      2.379255      0.763842
  H      -7.148829      1.701224      7.731564
  H      -6.956283      1.430081      5.996418
  H      -6.620829      3.990749      5.769789
  H      -7.266809      4.129366      7.416259
  H      -9.048593      4.411899      5.669993
  H      -9.383789      2.974302      6.686621
  H     -11.146034      3.594626      5.021486
  H     -12.999642      2.854482      3.560260
  H     -11.388733     -0.422145      0.770551
  H      -9.129884     -1.516660      0.481206
  H      -7.230663     -0.758719      1.925897
  N      -5.093544      2.395418      4.163935
  N      -5.977620      2.237522      3.244556
  H      -6.779662      1.575300      3.390872
  H      -6.130055      2.967025      2.513018
102
Coordinates from ORCA-job orca E -6484.777493762848
  N      -3.131306      0.504823      4.953964
  Mo     -3.914631      2.247094      5.481192
  N      -5.234052      2.069736      6.938491
  C      -4.759849      1.988212      8.319248
  C      -3.444758      1.227495      8.340642
  N      -2.567667      1.776731      7.278967
  C      -1.557061      0.801306      6.803702
  C      -2.218096     -0.186995      5.868364
  C      -1.934162      3.048946      7.695983
  C      -1.623604      3.865742      6.459751
  N      -2.797429      3.906575      5.572160
  H      -1.433688     -0.724906      5.306053
  H      -2.775577     -0.961928      6.432484
  H      -0.792538      1.368567      6.255120
  H      -1.067231      0.299080      7.655337
  H      -1.356924      4.885605      6.778348
  H      -0.740039      3.469537      5.926993
  H      -2.657370      3.596629      8.313679
  H      -1.035099      2.852223      8.306897
  H      -5.493615      1.453190      8.943077
  H      -4.640850      2.993543      8.765198
  H      -3.637214      0.173352      8.103883
  H      -2.943899      1.280665      9.322060
  C      -3.556652     -0.388903      3.870122
  C      -2.545628     -0.447516      2.713852
  C      -2.713807      0.679992      1.711518
  O      -3.943466      0.388470      1.000297
  C      -4.466619      1.155497      0.021274
  C      -5.664366      0.690941     -0.512578
  C      -6.324595      1.414143     -1.513896
  N      -5.890582      2.555996     -2.031010
  C      -4.706901      3.021588     -1.546566
  C      -4.192969      4.231701     -2.079014
  C      -2.990481      4.720695     -1.626971
  C      -2.295507      3.994340     -0.633824
  N      -2.737262      2.870110     -0.091778
  C      -3.928567      2.371281     -0.522899
  C      -2.894460      5.241887      4.963159
  C      -3.956089      5.427153      3.895911
  C      -3.522196      4.836695      2.562639
  O      -4.668949      4.498125      1.769465
  C      -5.308441      5.438993      1.051238
  C      -4.835154      6.688367      0.693149
  C      -5.634392      7.497271     -0.146138
  N      -6.824774      7.169709     -0.623198
  C      -7.319352      5.955687     -0.241558
  C      -8.599299      5.544406     -0.686104
  C      -9.098798      4.329093     -0.269110
  C      -8.325843      3.529218      0.599730
  N      -7.122211      3.869779      1.038308
  C      -6.613373      5.056200      0.611839
  C      -6.687926      2.082698      6.772194
  C      -7.264534      3.476525      6.475913
  C      -8.679056      3.402873      5.929265
  O      -8.600068      2.552054      4.767265
  C      -9.707455      2.240862      4.081835
  C     -10.957060      2.816165      4.234547
  C     -12.009673      2.383543      3.394644
  N     -11.912576      1.447130      2.461649
  C     -10.689945      0.854850      2.318249
  C     -10.518367     -0.164521      1.349825
  C      -9.284088     -0.762366      1.205115
  C      -8.217575     -0.335527      2.025293
  N      -8.330706      0.617632      2.939979
  C      -9.546557      1.210190      3.098308
  H      -3.706113     -1.401660      4.284161
  H      -4.527697     -0.063574      3.478587
  H      -1.518812     -0.413878      3.109234
  H      -2.645955     -1.403892      2.180068
  H      -1.880982      0.729958      0.999391
  H      -2.798839      1.658306      2.207131
  H      -6.084120     -0.240579     -0.136642
  H      -7.275048      1.034540     -1.903259
  H      -4.779105      4.741957     -2.844117
  H      -2.568294      5.646224     -2.021744
  H      -1.327924      4.357358     -0.271895
  H      -1.908422      5.509933      4.534239
  H      -3.075781      5.968148      5.777404
  H      -4.168958      6.500935      3.787004
  H      -4.892365      4.943150      4.213999
  H      -3.004835      3.877852      2.706021
  H      -2.845214      5.506949      2.007095
  H      -3.860250      7.053212      1.013703
  H      -5.248820      8.476807     -0.443749
  H      -9.157914      6.209658     -1.346004
  H     -10.080433      3.979470     -0.590649
  H      -8.713244      2.566857      0.942187
  H      -7.162434      1.671705      7.679557
  H      -6.954951      1.413013      5.944627
  H      -6.622464      3.965405      5.727663
  H      -7.261310      4.110769      7.375371
  H      -9.050004      4.399940      5.638854
  H      -9.384690      2.958541      6.651140
  H     -11.142248      3.599383      4.970509
  H     -12.990583      2.855446      3.504480
  H     -11.378417     -0.448595      0.740974
  H      -9.117677     -1.551421      0.471538
  H      -7.227423     -0.787707      1.920688
  N      -5.060919      2.337237      4.130187
  N      -5.925394      2.150706      3.195440
  H      -6.709213      1.462647      3.322362
  H      -6.052181      2.839657      2.420314
102
Coordinates from ORCA-job orca E -6484.778524600741
  N      -3.162836      0.509214      4.942780
  Mo     -3.921520      2.259703      5.478430
  N      -5.229020      2.093092      6.948092
  C      -4.741682      2.010003      8.325039
  C      -3.432336      1.238458      8.334073
  N      -2.559621      1.775728      7.261307
  C      -1.567615      0.785834      6.775518
  C      -2.252837     -0.194926      5.849269
  C      -1.906362      3.043530      7.667877
  C      -1.602425      3.858477      6.427277
  N      -2.787413      3.908584      5.556249
  H      -1.482847     -0.744498      5.280065
  H      -2.816480     -0.960022      6.419217
  H      -0.801417      1.340694      6.216889
  H      -1.075472      0.278529      7.622469
  H      -1.322435      4.877642      6.741820
  H      -0.729671      3.453500      5.882158
  H      -2.616297      3.598612      8.295203
  H      -1.001749      2.838612      8.266421
  H      -5.472686      1.480769      8.958151
  H      -4.610482      3.015712      8.768191
  H      -3.636895      0.184742      8.102146
  H      -2.921291      1.289910      9.310619
  C      -3.606047     -0.377758      3.861254
  C      -2.595130     -0.470136      2.705741
  C      -2.719955      0.661989      1.703788
  O      -3.957902      0.418407      0.988907
  C      -4.440791      1.205967      0.007100
  C      -5.653243      0.793655     -0.536512
  C      -6.271927      1.545325     -1.545053
  N      -5.781998      2.665377     -2.060339
  C      -4.583100      3.078001     -1.564639
  C      -4.008529      4.260236     -2.095973
  C      -2.790794      4.696977     -1.629550
  C      -2.141910      3.945332     -0.623859
  N      -2.638719      2.843088     -0.086521
  C      -3.845506      2.396105     -0.531857
  C      -2.885766      5.242160      4.946640
  C      -3.964907      5.422356      3.894148
  C      -3.553966      4.831382      2.552232
  O      -4.710448      4.477210      1.777812
  C      -5.381738      5.415084      1.084014
  C      -4.949010      6.690157      0.766208
  C      -5.765020      7.492908     -0.063037
  N      -6.933704      7.134735     -0.571219
  C      -7.388262      5.891826     -0.234440
  C      -8.639594      5.443002     -0.723024
  C      -9.096876      4.194644     -0.359342
  C      -8.310958      3.399383      0.502292
  N      -7.134252      3.776324      0.981884
  C      -6.664857      4.996051      0.608858
  C      -6.683838      2.108682      6.791738
  C      -7.262612      3.501261      6.492602
  C      -8.679928      3.423772      5.950136
  O      -8.607797      2.570182      4.789479
  C      -9.721138      2.249825      4.116051
  C     -10.976314      2.808442      4.288749
  C     -12.036178      2.364463      3.465585
  N     -11.942579      1.430421      2.532116
  C     -10.715175      0.855477      2.366463
  C     -10.547508     -0.160174      1.392947
  C      -9.308790     -0.742410      1.225711
  C      -8.233195     -0.304095      2.027615
  N      -8.343007      0.646213      2.946547
  C      -9.562941      1.224241      3.126132
  H      -3.779490     -1.384992      4.280910
  H      -4.568388     -0.029893      3.466150
  H      -1.567925     -0.471407      3.102645
  H      -2.727735     -1.424629      2.173010
  H      -1.883247      0.679158      0.994729
  H      -2.767997      1.642711      2.198219
  H      -6.117226     -0.119528     -0.164548
  H      -7.232288      1.205682     -1.946745
  H      -4.562459      4.793175     -2.870246
  H      -2.323901      5.601986     -2.020640
  H      -1.167390      4.270303     -0.245060
  H      -1.904213      5.504966      4.503255
  H      -3.053368      5.971348      5.761358
  H      -4.182487      6.495425      3.788742
  H      -4.893929      4.935309      4.226918
  H      -3.023494      3.880420      2.687603
  H      -2.894665      5.504962      1.983805
  H      -3.991888      7.079862      1.109961
  H      -5.411723      8.494755     -0.326997
  H      -9.210400      6.104858     -1.375807
  H     -10.054542      3.815181     -0.717391
  H      -8.666598      2.412265      0.806121
  H      -7.153062      1.701746      7.704051
  H      -6.957050      1.435356      5.968924
  H      -6.623501      3.990788      5.741957
  H      -7.258476      4.135688      7.392043
  H      -9.053307      4.419416      5.661751
  H      -9.381501      2.978508      6.676229
  H     -11.160030      3.584744      5.030149
  H     -13.022768      2.820424      3.593782
  H     -11.414089     -0.454646      0.798875
  H      -9.146743     -1.528270      0.487421
  H      -7.239755     -0.745323      1.906585
  N      -5.078571      2.370978      4.138800
  N      -5.953621      2.203429      3.212398
  H      -6.759551      1.544262      3.353934
  H      -6.077343      2.905698      2.449869
102
Coordinates from ORCA-job orca E -6484.778290523381
  N      -3.157875      0.531569      4.943339
  Mo     -3.923630      2.270967      5.505654
  N      -5.229835      2.074446      6.973194
  C      -4.742010      1.969350      8.349135
  C      -3.427980      1.205540      8.344261
  N      -2.558449      1.766814      7.280389
  C      -1.560350      0.792393      6.776669
  C      -2.241499     -0.178996      5.837405
  C      -1.914897      3.033707      7.708190
  C      -1.613724      3.871417      6.481475
  N      -2.795380      3.923536      5.606935
  H      -1.469778     -0.714813      5.258411
  H      -2.799365     -0.955752      6.396743
  H      -0.800041      1.361468      6.223945
  H      -1.062219      0.276083      7.614500
  H      -1.344644      4.889413      6.812729
  H      -0.734979      3.482728      5.932776
  H      -2.630116      3.572642      8.344109
  H      -1.009548      2.825899      8.303750
  H      -5.469483      1.424150      8.973542
  H      -4.616510      2.968243      8.810211
  H      -3.625841      0.154241      8.094180
  H      -2.917702      1.243788      9.322016
  C      -3.594703     -0.346349      3.852003
  C      -2.580782     -0.422041      2.697080
  C      -2.732581      0.698819      1.687757
  O      -3.953328      0.404760      0.961879
  C      -4.458001      1.162640     -0.031687
  C      -5.631728      0.678014     -0.600506
  C      -6.267519      1.386086     -1.629465
  N      -5.831616      2.529826     -2.140193
  C      -4.671341      3.014905     -1.618256
  C      -4.156360      4.227116     -2.142053
  C      -2.979114      4.738913     -1.647381
  C      -2.311897      4.031880     -0.621478
  N      -2.754161      2.903634     -0.091597
  C      -3.919855      2.382427     -0.564571
  C      -2.884355      5.253343      4.989640
  C      -3.954157      5.424382      3.926299
  C      -3.532058      4.817141      2.594402
  O      -4.680775      4.459230      1.809520
  C      -5.331310      5.390369      1.087676
  C      -4.879495      6.655194      0.754994
  C      -5.671272      7.449904     -0.105566
  N      -6.833218      7.092762     -0.630566
  C      -7.306845      5.860572     -0.279601
  C      -8.551592      5.413831     -0.786455
  C      -9.026911      4.176108     -0.411368
  C      -8.266804      3.390475      0.482409
  N      -7.097592      3.766412      0.979911
  C      -6.609072      4.974257      0.594680
  C      -6.684019      2.088642      6.815217
  C      -7.265617      3.485122      6.541050
  C      -8.680206      3.414271      5.988991
  O      -8.601525      2.588729      4.808725
  C      -9.713978      2.276462      4.129463
  C     -10.971575      2.826068      4.314748
  C     -12.031506      2.393329      3.485990
  N     -11.935571      1.477099      2.536286
  C     -10.706008      0.910885      2.357575
  C     -10.536778     -0.088183      1.367097
  C      -9.298070     -0.667529      1.191846
  C      -8.223072     -0.242609      2.001758
  N      -8.333897      0.694221      2.934559
  C      -9.553670      1.269533      3.121168
  H      -3.757443     -1.358761      4.265091
  H      -4.559404     -0.003577      3.457985
  H      -1.553984     -0.396618      3.094454
  H      -2.690202     -1.383727      2.170621
  H      -1.889722      0.737172      0.987349
  H      -2.817339      1.680596      2.174344
  H      -6.050471     -0.259438     -0.234785
  H      -7.194218      0.987416     -2.053624
  H      -4.721636      4.721532     -2.934052
  H      -2.557193      5.667896     -2.032847
  H      -1.368630      4.416980     -0.220027
  H      -1.897698      5.510901      4.553613
  H      -3.057092      5.988815      5.797694
  H      -4.169398      6.496396      3.807965
  H      -4.886466      4.940956      4.254748
  H      -3.008533      3.865956      2.747093
  H      -2.862340      5.478953      2.026700
  H      -3.924942      7.041692      1.109871
  H      -5.303024      8.444014     -0.381054
  H      -9.103662      6.068603     -1.462483
  H      -9.979017      3.798178     -0.784297
  H      -8.638581      2.413264      0.797976
  H      -7.154391      1.663678      7.718842
  H      -6.954391      1.429420      5.979583
  H      -6.623874      3.994264      5.805975
  H      -7.269536      4.098653      7.454717
  H      -9.055991      4.415008      5.723565
  H      -9.382802      2.948617      6.701489
  H     -11.155741      3.587358      5.070669
  H     -13.019953      2.842436      3.624268
  H     -11.402751     -0.374279      0.768155
  H      -9.136585     -1.442084      0.441495
  H      -7.230342     -0.683962      1.877502
  N      -5.083987      2.404359      4.170487
  N      -5.962870      2.255444      3.244814
  H      -6.768964      1.595243      3.380957
  H      -6.109053      2.991870      2.519019
102
Coordinates from ORCA-job orca E -6484.778618320979
  N      -3.162401      0.525626      4.938177
  Mo     -3.926810      2.268299      5.491648
  N      -5.235630      2.079562      6.957871
  C      -4.750024      1.980089      8.334556
  C      -3.437093      1.214660      8.335476
  N      -2.565437      1.769791      7.270830
  C      -1.567866      0.791744      6.773200
  C      -2.248633     -0.182904      5.837228
  C      -1.920268      3.036145      7.694916
  C      -1.617196      3.869142      6.466305
  N      -2.797475      3.920273      5.589569
  H      -1.476382     -0.723080      5.262285
  H      -2.808753     -0.956118      6.399597
  H      -0.806161      1.357636      6.219322
  H      -1.071466      0.278490      7.614054
  H      -1.348319      4.886994      6.795570
  H      -0.737768      3.479123      5.920550
  H      -2.634958      3.578362      8.328091
  H      -1.015708      2.828759      8.292419
  H      -5.479272      1.438604      8.959512
  H      -4.624483      2.980470      8.791526
  H      -3.636076      0.162912      8.089859
  H      -2.927993      1.256374      9.313531
  C      -3.605024     -0.355600      3.851725
  C      -2.595982     -0.441360      2.693662
  C      -2.732376      0.687443      1.690092
  O      -3.968870      0.429634      0.977479
  C      -4.460627      1.204673     -0.009825
  C      -5.665510      0.770027     -0.553579
  C      -6.293339      1.505060     -1.568382
  N      -5.819897      2.629022     -2.089811
  C      -4.628413      3.063665     -1.594345
  C      -4.071672      4.251030     -2.132829
  C      -2.862710      4.711215     -1.665711
  C      -2.205070      3.977495     -0.652581
  N      -2.685050      2.870724     -0.109529
  C      -3.882734      2.400553     -0.555330
  C      -2.884454      5.251292      4.973363
  C      -3.955963      5.430856      3.913580
  C      -3.538498      4.829006      2.578599
  O      -4.690974      4.476587      1.797554
  C      -5.342346      5.409970      1.079339
  C      -4.891105      6.674601      0.745638
  C      -5.684757      7.469482     -0.112706
  N      -6.847505      7.112424     -0.635506
  C      -7.320653      5.880766     -0.282772
  C      -8.566026      5.433421     -0.787320
  C      -9.042088      4.196926     -0.407914
  C      -8.281640      3.412900      0.486799
  N      -7.110722      3.788532      0.980853
  C      -6.621957      4.995230      0.591434
  C      -6.689927      2.093781      6.800300
  C      -7.272443      3.489282      6.523513
  C      -8.689037      3.414504      5.978976
  O      -8.612345      2.580974      4.804365
  C      -9.726815      2.250665      4.137444
  C     -10.988195      2.790250      4.325499
  C     -12.049731      2.336008      3.510093
  N     -11.951165      1.409681      2.569731
  C     -10.717131      0.853773      2.388724
  C     -10.544279     -0.155342      1.409197
  C      -9.300690     -0.723974      1.232522
  C      -8.225101     -0.278779      2.030681
  N      -8.339234      0.667731      2.952994
  C      -9.563565      1.233017      3.140669
  H      -3.774561     -1.365229      4.267721
  H      -4.568562     -0.007870      3.459299
  H      -1.567666     -0.434056      3.087685
  H      -2.722636     -1.398159      2.163138
  H      -1.896561      0.709601      0.980145
  H      -2.788298      1.668749      2.182235
  H      -6.115880     -0.148321     -0.177908
  H      -7.246703      1.147270     -1.970728
  H      -4.631583      4.768662     -2.913409
  H      -2.408936      5.620259     -2.062823
  H      -1.237257      4.321376     -0.273107
  H      -1.898360      5.506482      4.535442
  H      -3.052801      5.985493      5.783278
  H      -4.168164      6.504144      3.800298
  H      -4.888985      4.949157      4.242629
  H      -3.015722      3.875677      2.725276
  H      -2.869634      5.493102      2.011002
  H      -3.935548      7.060828      1.097774
  H      -5.317049      8.463052     -0.389113
  H      -9.117529      6.086747     -1.465121
  H      -9.995199      3.818643     -0.778590
  H      -8.653737      2.436540      0.805191
  H      -7.159046      1.671198      7.705525
  H      -6.961045      1.432538      5.966984
  H      -6.634145      3.994696      5.782735
  H      -7.272539      4.107491      7.434097
  H      -9.067648      4.413020      5.708121
  H      -9.387826      2.952605      6.697419
  H     -11.175062      3.559276      5.073751
  H     -13.041964      2.776048      3.651229
  H     -11.411309     -0.457337      0.819595
  H      -9.135646     -1.505581      0.490388
  H      -7.228883     -0.711776      1.905318
  N      -5.081635      2.392153      4.150992
  N      -5.955541      2.233568      3.221597
  H      -6.764323      1.576267      3.357774
  H      -6.082236      2.948294      2.470790
102
Coordinates from ORCA-job orca E -6484.778543371815
  N      -3.165965      0.523963      4.940011
  Mo     -3.934553      2.264544      5.493363
  N      -5.234660      2.073331      6.966457
  C      -4.743128      1.979854      8.341272
  C      -3.426500      1.220983      8.338023
  N      -2.562859      1.776867      7.267121
  C      -1.564097      0.801098      6.766872
  C      -2.245353     -0.178885      5.836580
  C      -1.920763      3.046999      7.684180
  C      -1.626923      3.877873      6.451678
  N      -2.810542      3.921072      5.578959
  H      -1.473290     -0.716840      5.259509
  H      -2.799395     -0.953276      6.403204
  H      -0.807572      1.368755      6.207773
  H      -1.061167      0.291962      7.606365
  H      -1.361439      4.898031      6.776860
  H      -0.747687      3.490492      5.903613
  H      -2.634346      3.588405      8.319368
  H      -1.012459      2.844969      8.277885
  H      -5.467118      1.435981      8.970286
  H      -4.621091      2.981880      8.795601
  H      -3.621882      0.167567      8.096663
  H      -2.912502      1.267879      9.313300
  C      -3.604711     -0.357247      3.852094
  C      -2.590866     -0.441307      2.698110
  C      -2.716525      0.693114      1.699186
  O      -3.950825      0.447440      0.978951
  C      -4.427369      1.229577     -0.010012
  C      -5.632856      0.809960     -0.563386
  C      -6.242997      1.552872     -1.583468
  N      -5.750635      2.670444     -2.101810
  C      -4.558261      3.090197     -1.596337
  C      -3.980582      4.269011     -2.131720
  C      -2.769167      4.712819     -1.655146
  C      -2.130078      3.971753     -0.635313
  N      -2.629946      2.872624     -0.094773
  C      -3.830314      2.418321     -0.550287
  C      -2.897719      5.247093      4.951372
  C      -3.969410      5.420353      3.890661
  C      -3.552168      4.811267      2.559060
  O      -4.705983      4.455818      1.781834
  C      -5.354726      5.382905      1.053086
  C      -4.898831      6.640316      0.699219
  C      -5.693672      7.427532     -0.164946
  N      -6.862563      7.070479     -0.673795
  C      -7.341097      5.847359     -0.299268
  C      -8.595183      5.402367     -0.784007
  C      -9.077822      4.176315     -0.379362
  C      -8.314216      3.399430      0.518859
  N      -7.134230      3.772341      0.993447
  C      -6.640405      4.969354      0.580850
  C      -6.689519      2.079739      6.813138
  C      -7.280339      3.473331      6.544106
  C      -8.699507      3.395839      6.005800
  O      -8.626742      2.582615      4.816206
  C      -9.747769      2.247997      4.162184
  C     -11.011796      2.769265      4.380917
  C     -12.081885      2.317568      3.575540
  N     -11.988904      1.411025      2.615670
  C     -10.752010      0.873160      2.403156
  C     -10.584957     -0.113799      1.400403
  C      -9.338449     -0.664816      1.191012
  C      -8.254594     -0.224123      1.980261
  N      -8.363245      0.702091      2.923638
  C      -9.590093      1.250566      3.143650
  H      -3.776107     -1.367313      4.266096
  H      -4.567011     -0.009233      3.456901
  H      -1.564564     -0.439357      3.097589
  H      -2.717855     -1.395109      2.162287
  H      -1.877344      0.714216      0.993286
  H      -2.769087      1.672310      2.195918
  H      -6.097335     -0.103137     -0.191587
  H      -7.197681      1.207347     -1.993147
  H      -4.526848      4.793501     -2.917217
  H      -2.299589      5.614837     -2.049449
  H      -1.160096      4.301997     -0.248840
  H      -1.911714      5.498110      4.510586
  H      -3.064665      5.987842      5.755688
  H      -4.181660      6.492882      3.770953
  H      -4.902411      4.940822      4.222907
  H      -3.029896      3.858426      2.710669
  H      -2.883405      5.471993      1.987346
  H      -3.938997      7.026254      1.039761
  H      -5.322190      8.414862     -0.457815
  H      -9.148033      6.049758     -1.466324
  H     -10.038489      3.800881     -0.733324
  H      -8.691918      2.431987      0.858114
  H      -7.153475      1.650694      7.718069
  H      -6.958886      1.420585      5.977594
  H      -6.647704      3.985749      5.803098
  H      -7.278851      4.086962      7.457857
  H      -9.086602      4.395662      5.752437
  H      -9.391010      2.919163      6.721527
  H     -11.194776      3.522524      5.145805
  H     -13.076636      2.742558      3.742313
  H     -11.458658     -0.413214      0.819372
  H      -9.177203     -1.428896      0.430027
  H      -7.255524     -0.642468      1.828327
  N      -5.100514      2.377660      4.161497
  N      -5.981362      2.211118      3.240227
  H      -6.798100      1.569119      3.397865
  H      -6.107559      2.915139      2.479265
102
Coordinates from ORCA-job orca E -6484.778666974924
  N      -3.166103      0.533979      4.935192
  Mo     -3.936756      2.270598      5.498086
  N      -5.241578      2.068754      6.965922
  C      -4.754266      1.964450      8.341485
  C      -3.437445      1.205994      8.336542
  N      -2.570907      1.771129      7.273028
  C      -1.569289      0.800587      6.768616
  C      -2.246701     -0.173572      5.829424
  C      -1.931964      3.038631      7.702520
  C      -1.633461      3.878614      6.477595
  N      -2.812618      3.926153      5.599171
  H      -1.472288     -0.706619      5.250707
  H      -2.801266     -0.952613      6.389327
  H      -0.811872      1.373381      6.215946
  H      -1.068242      0.285972      7.605888
  H      -1.371144      4.896844      6.811261
  H      -0.750940      3.496398      5.931148
  H      -2.648857      3.574562      8.338528
  H      -1.026084      2.833049      8.298714
  H      -5.480167      1.415450      8.963775
  H      -4.633992      2.962754      8.804271
  H      -3.631445      0.154484      8.086042
  H      -2.926598      1.245347      9.313786
  C      -3.603657     -0.342927      3.843350
  C      -2.590713     -0.420019      2.688184
  C      -2.727699      0.711730      1.687805
  O      -3.960478      0.452063      0.969714
  C      -4.446497      1.224969     -0.022012
  C      -5.649046      0.790563     -0.570551
  C      -6.269654      1.522663     -1.591945
  N      -5.790076      2.642709     -2.116515
  C      -4.600234      3.076506     -1.616774
  C      -4.036266      4.258849     -2.159028
  C      -2.828735      4.717783     -1.687336
  C      -2.179865      3.988487     -0.665269
  N      -2.666744      2.886507     -0.118481
  C      -3.862819      2.417095     -0.569458
  C      -2.893398      5.252864      4.972545
  C      -3.959139      5.427137      3.906056
  C      -3.535041      4.815380      2.577749
  O      -4.684355      4.461864      1.792759
  C      -5.321551      5.389239      1.054388
  C      -4.855730      6.643352      0.701981
  C      -5.636282      7.431310     -0.174312
  N      -6.800070      7.077577     -0.696879
  C      -7.288559      5.857814     -0.324616
  C      -8.537589      5.416439     -0.825250
  C      -9.030508      4.193548     -0.423885
  C      -8.282319      3.416246      0.486843
  N      -7.107471      3.785767      0.976522
  C      -6.603218      4.979676      0.567427
  C      -6.696079      2.076407      6.810170
  C      -7.287516      3.472445      6.555520
  C      -8.707335      3.397334      6.019492
  O      -8.633598      2.589656      4.826379
  C      -9.754307      2.243975      4.177626
  C     -11.022324      2.754761      4.398230
  C     -12.090506      2.290448      3.597209
  N     -11.991738      1.381227      2.640189
  C     -10.750760      0.852792      2.427344
  C     -10.577003     -0.137632      1.429122
  C      -9.326824     -0.681364      1.222496
  C      -8.246029     -0.230141      2.010101
  N      -8.360714      0.700778      2.947990
  C      -9.590942      1.242700      3.164350
  H      -3.771922     -1.355154      4.253539
  H      -4.567223      0.004192      3.450448
  H      -1.563934     -0.409556      3.086022
  H      -2.710754     -1.375152      2.153525
  H      -1.889551      0.739393      0.980936
  H      -2.789182      1.691252      2.183011
  H      -6.102913     -0.125658     -0.193743
  H      -7.222121      1.165862     -1.997049
  H      -4.590099      4.774198     -2.945287
  H      -2.369785      5.623227     -2.086696
  H      -1.213134      4.331275     -0.282056
  H      -1.904509      5.502138      4.537225
  H      -3.063562      5.993551      5.776233
  H      -4.169278      6.499924      3.783932
  H      -4.894593      4.948970      4.233655
  H      -3.016187      3.861300      2.734033
  H      -2.860546      5.473659      2.009883
  H      -3.898301      7.026013      1.052794
  H      -5.256625      8.415907     -0.465789
  H      -9.078137      6.064010     -1.517217
  H      -9.987539      3.820841     -0.790112
  H      -8.668038      2.450965      0.823052
  H      -7.161137      1.637395      7.709817
  H      -6.964219      1.426027      5.967325
  H      -6.656664      3.991585      5.817736
  H      -7.284804      4.078137      7.474513
  H      -9.096466      4.397939      5.771976
  H      -9.396748      2.915096      6.733546
  H     -11.209908      3.509282      5.160829
  H     -13.088646      2.706745      3.765447
  H     -11.448818     -0.446195      0.850049
  H      -9.160507     -1.448418      0.465614
  H      -7.244608     -0.643788      1.861803
  N      -5.095475      2.395760      4.160996
  N      -5.971228      2.238873      3.232897
  H      -6.787584      1.591563      3.374482
  H      -6.089898      2.948641      2.475835
102
Coordinates from ORCA-job orca E -6484.778672365322
  N      -3.158091      0.547973      4.935154
  Mo     -3.937380      2.276465      5.510952
  N      -5.243903      2.054105      6.974325
  C      -4.759486      1.938718      8.350150
  C      -3.437888      1.188527      8.340697
  N      -2.572636      1.769225      7.284334
  C      -1.564194      0.809968      6.772098
  C      -2.235137     -0.160729      5.824726
  C      -1.943055      3.036743      7.727409
  C      -1.645839      3.890369      6.511811
  N      -2.820566      3.936478      5.627787
  H      -1.457338     -0.684894      5.242682
  H      -2.785761     -0.946925      6.378322
  H      -0.810598      1.392521      6.224379
  H      -1.059969      0.291676      7.605171
  H      -1.393936      4.907835      6.856359
  H      -0.757325      3.520925      5.966002
  H      -2.665322      3.561731      8.366485
  H      -1.037573      2.831531      8.324132
  H      -5.483498      1.378677      8.964938
  H      -4.646766      2.932931      8.823720
  H      -3.624693      0.138164      8.079825
  H      -2.929450      1.221841      9.319455
  C      -3.595581     -0.326830      3.841613
  C      -2.587137     -0.398771      2.681954
  C      -2.738717      0.728356      1.678885
  O      -3.974056      0.455417      0.970204
  C      -4.471878      1.215282     -0.025648
  C      -5.673851      0.764941     -0.562813
  C      -6.306640      1.481030     -1.587896
  N      -5.839823      2.599655     -2.126518
  C      -4.650762      3.048854     -1.638236
  C      -4.099848      4.229601     -2.196936
  C      -2.893661      4.704034     -1.736930
  C      -2.233589      3.992393     -0.709636
  N      -2.707880      2.892328     -0.148308
  C      -3.901724      2.406920     -0.588349
  C      -2.895606      5.262671      4.999661
  C      -3.954496      5.437282      3.926684
  C      -3.521126      4.824890      2.601734
  O      -4.664801      4.470431      1.809139
  C      -5.292214      5.393395      1.056939
  C      -4.820879      6.644181      0.699809
  C      -5.589360      7.424736     -0.193774
  N      -6.746121      7.066652     -0.729087
  C      -7.240691      5.850745     -0.351922
  C      -8.482788      5.404992     -0.865791
  C      -8.982100      4.186477     -0.459111
  C      -8.247586      3.418057      0.470304
  N      -7.078837      3.791329      0.971491
  C      -6.568081      4.980705      0.557501
  C      -6.697646      2.057498      6.814589
  C      -7.294038      3.454990      6.581630
  C      -8.713174      3.382521      6.043696
  O      -8.634816      2.598017      4.835462
  C      -9.754804      2.249134      4.186712
  C     -11.026495      2.746736      4.416857
  C     -12.093389      2.282389      3.614215
  N     -11.989667      1.386130      2.645850
  C     -10.745025      0.870534      2.423332
  C     -10.566123     -0.107486      1.413831
  C      -9.313385     -0.642999      1.201562
  C      -8.235095     -0.196254      1.995093
  N      -8.354424      0.724598      2.942276
  C      -9.586698      1.259692      3.162877
  H      -3.758721     -1.340522      4.250377
  H      -4.561726      0.017993      3.452829
  H      -1.558361     -0.379198      3.074437
  H      -2.702388     -1.356540      2.150392
  H      -1.905154      0.759791      0.966927
  H      -2.805211      1.709076      2.170961
  H      -6.117259     -0.151730     -0.174714
  H      -7.258154      1.111758     -1.984036
  H      -4.662515      4.731399     -2.985876
  H      -2.444528      5.608567     -2.149069
  H      -1.267861      4.347998     -0.335413
  H      -1.903582      5.510343      4.570540
  H      -3.069354      6.003945      5.801859
  H      -4.163779      6.509899      3.802653
  H      -4.891820      4.958914      4.248146
  H      -3.003837      3.871014      2.763297
  H      -2.842021      5.481775      2.038403
  H      -3.867514      7.029160      1.059103
  H      -5.205058      8.406562     -0.489222
  H      -9.012855      6.045749     -1.572180
  H      -9.933945      3.810654     -0.835427
  H      -8.639520      2.457286      0.812325
  H      -7.163496      1.601624      7.705390
  H      -6.960542      1.420015      5.960374
  H      -6.664542      3.989007      5.853070
  H      -7.294593      4.045372      7.510542
  H      -9.107704      4.385418      5.815204
  H      -9.399910      2.883007      6.748421
  H     -11.217590      3.491773      5.187900
  H     -13.094760      2.687873      3.790754
  H     -11.436456     -0.414511      0.831740
  H      -9.143653     -1.401207      0.436564
  H      -7.232190     -0.605404      1.844915
  N      -5.093784      2.407604      4.172355
  N      -5.967173      2.254788      3.241344
  H      -6.787151      1.610787      3.378762
  H      -6.078287      2.963557      2.481898
102
Coordinates from ORCA-job orca E -6484.778705194917
  N      -3.165110      0.558594      4.928339
  Mo     -3.949887      2.279492      5.518251
  N      -5.249889      2.039406      6.984375
  C      -4.762110      1.917467      8.358226
  C      -3.435975      1.175607      8.339826
  N      -2.577793      1.768391      7.284406
  C      -1.566303      0.817774      6.761913
  C      -2.235819     -0.150772      5.810963
  C      -1.954614      3.036504      7.734227
  C      -1.664287      3.899822      6.524118
  N      -2.838521      3.942961      5.639423
  H      -1.457097     -0.667309      5.223415
  H      -2.780573     -0.942915      6.361726
  H      -0.817988      1.407789      6.215050
  H      -1.056000      0.296772      7.589592
  H      -1.420049      4.916959      6.875063
  H      -0.772915      3.540736      5.976028
  H      -2.678736      3.553070      8.377980
  H      -1.046859      2.832968      8.328066
  H      -5.481371      1.348221      8.970114
  H      -4.654932      2.908627      8.839258
  H      -3.617116      0.125836      8.072857
  H      -2.924482      1.205724      9.317070
  C      -3.601563     -0.310114      3.829673
  C      -2.591766     -0.378202      2.670758
  C      -2.740223      0.752410      1.670860
  O      -3.975021      0.484696      0.959473
  C      -4.464424      1.244349     -0.040790
  C      -5.667072      0.799450     -0.581021
  C      -6.290541      1.514591     -1.612576
  N      -5.813462      2.627140     -2.154955
  C      -4.623781      3.071120     -1.663220
  C      -4.061832      4.244629     -2.226283
  C      -2.854943      4.713659     -1.762761
  C      -2.205559      4.004638     -0.726882
  N      -2.690023      2.911000     -0.161628
  C      -3.884192      2.429968     -0.606070
  C      -2.906006      5.264977      5.001560
  C      -3.960808      5.436874      3.924132
  C      -3.525158      4.812552      2.605569
  O      -4.667807      4.457793      1.811905
  C      -5.281154      5.373118      1.038910
  C      -4.796465      6.613146      0.662712
  C      -5.551811      7.384013     -0.250200
  N      -6.708226      7.026752     -0.786685
  C      -7.216776      5.822869     -0.390115
  C      -8.460771      5.380115     -0.902085
  C      -8.975471      4.175379     -0.473732
  C      -8.253939      3.417221      0.474088
  N      -7.082591      3.786827      0.972168
  C      -6.557640      4.963145      0.538755
  C      -6.703357      2.037294      6.826892
  C      -7.306136      3.435692      6.619340
  C      -8.726840      3.365013      6.086859
  O      -8.647633      2.602889      4.864183
  C      -9.768581      2.248413      4.219732
  C     -11.041837      2.739074      4.455825
  C     -12.108930      2.273452      3.654227
  N     -12.003712      1.383494      2.680278
  C     -10.757703      0.873676      2.452644
  C     -10.577228     -0.099151      1.438410
  C      -9.324116     -0.633439      1.224972
  C      -8.247323     -0.191703      2.023245
  N      -8.367981      0.725626      2.973639
  C      -9.599788      1.262026      3.193290
  H      -3.767060     -1.325546      4.232918
  H      -4.566903      0.038432      3.441829
  H      -1.563426     -0.360811      3.064690
  H      -2.706842     -1.334015      2.135459
  H      -1.905490      0.784728      0.960404
  H      -2.806270      1.731790      2.165723
  H      -6.117707     -0.112929     -0.190829
  H      -7.243112      1.149933     -2.011084
  H      -4.617238      4.745695     -3.020789
  H      -2.397733      5.612734     -2.177819
  H      -1.239728      4.356575     -0.349421
  H      -1.911537      5.505241      4.573853
  H      -3.078566      6.012403      5.798132
  H      -4.164882      6.509359      3.791100
  H      -4.901139      4.964933      4.246224
  H      -3.013616      3.857319      2.777496
  H      -2.840119      5.461202      2.040101
  H      -3.842313      6.996480      1.021477
  H      -5.156661      8.356778     -0.560769
  H      -8.979810      6.012603     -1.623929
  H      -9.929814      3.802790     -0.847286
  H      -8.659051      2.468660      0.834865
  H      -7.166016      1.562800      7.709653
  H      -6.963568      1.414394      5.961400
  H      -6.682208      3.983737      5.895965
  H      -7.304355      4.011684      7.557291
  H      -9.128555      4.369334      5.878244
  H      -9.407418      2.848450      6.785184
  H     -11.233696      3.481458      5.229311
  H     -13.111689      2.673598      3.835744
  H     -11.446991     -0.404165      0.854438
  H      -9.153259     -1.387874      0.456501
  H      -7.244411     -0.601363      1.874244
  N      -5.111424      2.413744      4.184502
  N      -5.987355      2.264069      3.255435
  H      -6.808353      1.620096      3.390747
  H      -6.095085      2.970190      2.493018
102
Coordinates from ORCA-job orca E -6484.778719886872
  N      -3.165943      0.563726      4.925755
  Mo     -3.954642      2.280682      5.520554
  N      -5.253056      2.032527      6.986568
  C      -4.766029      1.909152      8.360239
  C      -3.437328      1.172023      8.340276
  N      -2.581783      1.769880      7.285652
  C      -1.567918      0.822784      6.760972
  C      -2.234467     -0.145016      5.806843
  C      -1.962425      3.038793      7.737811
  C      -1.672868      3.904160      6.529007
  N      -2.845465      3.945289      5.641836
  H      -1.453584     -0.657083      5.218101
  H      -2.776498     -0.940688      6.355362
  H      -0.820115      1.415845      6.216735
  H      -1.057223      0.300199      7.587435
  H      -1.431321      4.921589      6.881021
  H      -0.779827      3.547733      5.981697
  H      -2.688664      3.553171      8.380991
  H      -1.055100      2.836943      8.333055
  H      -5.484081      1.335841      8.969718
  H      -4.662883      2.899099      8.844374
  H      -3.614886      0.122202      8.071322
  H      -2.925315      1.201866      9.317241
  C      -3.598099     -0.301898      3.823108
  C      -2.583949     -0.365287      2.667931
  C      -2.734933      0.763494      1.665735
  O      -3.962121      0.485321      0.945173
  C      -4.446959      1.240451     -0.060867
  C      -5.640914      0.787609     -0.612660
  C      -6.258655      1.498387     -1.650834
  N      -5.782592      2.613192     -2.189884
  C      -4.600591      3.064544     -1.687059
  C      -4.039905      4.241412     -2.244804
  C      -2.841974      4.718999     -1.767530
  C      -2.200526      4.016143     -0.722372
  N      -2.683814      2.919509     -0.161945
  C      -3.868634      2.429306     -0.620915
  C      -2.910427      5.265745      4.999970
  C      -3.961678      5.434407      3.918461
  C      -3.519819      4.808894      2.602412
  O      -4.659036      4.450861      1.805574
  C      -5.267960      5.363060      1.025734
  C      -4.781043      6.601817      0.648838
  C      -5.531332      7.370925     -0.269370
  N      -6.685581      7.013579     -0.810020
  C      -7.196814      5.811139     -0.413084
  C      -8.439587      5.369147     -0.928748
  C      -8.957016      4.165619     -0.500598
  C      -8.238968      3.407138      0.449215
  N      -7.068998      3.776015      0.951332
  C      -6.542080      4.952293      0.519761
  C      -6.706642      2.026115      6.828560
  C      -7.316562      3.425179      6.645539
  C      -8.741500      3.356736      6.124064
  O      -8.669072      2.619065      4.885481
  C      -9.794337      2.252930      4.254856
  C     -11.071550      2.719520      4.516435
  C     -12.143300      2.245566      3.725809
  N     -12.039250      1.368050      2.740207
  C     -10.789206      0.879971      2.488720
  C     -10.609105     -0.078763      1.461138
  C      -9.351136     -0.590683      1.222331
  C      -8.269227     -0.139904      2.008477
  N      -8.389579      0.765558      2.970222
  C      -9.626280      1.279476      3.215926
  H      -3.764568     -1.318931      4.222138
  H      -4.562624      0.047123      3.433816
  H      -1.557460     -0.341489      3.066007
  H      -2.690630     -1.321662      2.132689
  H      -1.895629      0.802786      0.961163
  H      -2.813264      1.742810      2.159112
  H      -6.088820     -0.127641     -0.226248
  H      -7.205255      1.128140     -2.057741
  H      -4.589962      4.738777     -3.045019
  H      -2.386825      5.621789     -2.176882
  H      -1.243627      4.377029     -0.331089
  H      -1.914528      5.504793      4.574478
  H      -3.085940      6.015365      5.794110
  H      -4.166729      6.506466      3.782506
  H      -4.902559      4.961830      4.238417
  H      -3.006208      3.854960      2.777184
  H      -2.834616      5.459342      2.038733
  H      -3.828884      6.986109      1.011757
  H      -5.133678      8.342226     -0.580494
  H      -8.954722      6.001371     -1.653427
  H      -9.910676      3.793745     -0.876648
  H      -8.644660      2.457912      0.807506
  H      -7.166839      1.533984      7.703184
  H      -6.963624      1.417270      5.952148
  H      -6.700806      3.985297      5.924456
  H      -7.308121      3.988614      7.591052
  H      -9.151306      4.362457      5.938557
  H      -9.412887      2.822553      6.817849
  H     -11.263854      3.449217      5.301629
  H     -13.149211      2.626300      3.928311
  H     -11.483071     -0.391117      0.887362
  H      -9.179771     -1.333696      0.442937
  H      -7.262184     -0.531540      1.839672
  N      -5.116661      2.416142      4.187664
  N      -5.991677      2.269198      3.257849
  H      -6.822698      1.637526      3.396331
  H      -6.085270      2.966294      2.485452
102
Coordinates from ORCA-job orca E -6484.778744430510
  N      -3.170092      0.579502      4.922549
  Mo     -3.963716      2.289237      5.531088
  N      -5.258038      2.022284      6.997319
  C      -4.769621      1.891465      8.369616
  C      -3.436528      1.162590      8.342403
  N      -2.586205      1.772693      7.290528
  C      -1.568932      0.834818      6.755914
  C      -2.233331     -0.130264      5.797287
  C      -1.973289      3.041415      7.751463
  C      -1.688604      3.917658      6.549634
  N      -2.859328      3.956865      5.660021
  H      -1.451392     -0.635252      5.203842
  H      -2.770697     -0.931475      6.342362
  H      -0.826360      1.435831      6.213165
  H      -1.052451      0.309459      7.577028
  H      -1.455632      4.934319      6.909834
  H      -0.791707      3.572488      6.001195
  H      -2.701904      3.546725      8.399104
  H      -1.064410      2.840220      8.344500
  H      -5.483583      1.308430      8.974770
  H      -4.672778      2.878041      8.861890
  H      -3.608186      0.113613      8.066538
  H      -2.923167      1.188785      9.318755
  C      -3.604067     -0.281724      3.817343
  C      -2.593518     -0.341632      2.658739
  C      -2.747559      0.788941      1.659094
  O      -3.980460      0.516377      0.946150
  C      -4.463019      1.267668     -0.063864
  C      -5.663146      0.820357     -0.607065
  C      -6.279089      1.527797     -1.648454
  N      -5.795712      2.633913     -2.198799
  C      -4.607918      3.079557     -1.704468
  C      -4.039271      4.246305     -2.275310
  C      -2.835368      4.717675     -1.807045
  C      -2.196366      4.019233     -0.757483
  N      -2.686915      2.932041     -0.185205
  C      -3.877494      2.447564     -0.635427
  C      -2.913976      5.272578      5.007803
  C      -3.959276      5.438280      3.920309
  C      -3.516024      4.794652      2.613446
  O      -4.654724      4.440541      1.814610
  C      -5.239874      5.346047      1.009546
  C      -4.726928      6.566829      0.609248
  C      -5.455553      7.328755     -0.332146
  N      -6.612589      6.981293     -0.873273
  C      -7.150147      5.798527     -0.452468
  C      -8.398792      5.370169     -0.965182
  C      -8.943543      4.188182     -0.511821
  C      -8.246691      3.437605      0.459866
  N      -7.071553      3.793539      0.959471
  C      -6.518256      4.948392      0.503789
  C      -6.711326      2.006585      6.839373
  C      -7.332651      3.402895      6.675852
  C      -8.757463      3.328919      6.154948
  O      -8.680010      2.608737      4.906214
  C      -9.803489      2.234064      4.277323
  C     -11.084056      2.686979      4.546166
  C     -12.154290      2.207835      3.756705
  N     -12.045600      1.336902      2.765860
  C     -10.792024      0.861773      2.507183
  C     -10.606796     -0.089313      1.473404
  C      -9.345154     -0.588418      1.227189
  C      -8.264502     -0.132415      2.011953
  N      -8.389744      0.766762      2.979086
  C      -9.630093      1.267964      3.232354
  H      -3.770000     -1.300180      4.213073
  H      -4.569350      0.069179      3.431641
  H      -1.565590     -0.318622      3.053131
  H      -2.702125     -1.296989      2.121912
  H      -1.912399      0.826329      0.949496
  H      -2.819842      1.767945      2.153995
  H      -6.117417     -0.087744     -0.211264
  H      -7.230488      1.162379     -2.048534
  H      -4.587888      4.740657     -3.078438
  H      -2.373499      5.612091     -2.227117
  H      -1.234621      4.375292     -0.373626
  H      -1.914667      5.502388      4.585164
  H      -3.088231      6.029447      5.795190
  H      -4.155340      6.510372      3.772111
  H      -4.905246      4.976120      4.240757
  H      -3.014002      3.837215      2.802687
  H      -2.820199      5.431086      2.046974
  H      -3.770558      6.941600      0.971135
  H      -5.037131      8.285071     -0.662147
  H      -8.897091      5.995898     -1.707116
  H      -9.902705      3.827578     -0.884732
  H      -8.675058      2.506717      0.839189
  H      -7.167819      1.498472      7.706807
  H      -6.963181      1.408136      5.954575
  H      -6.722359      3.978040      5.961918
  H      -7.327610      3.953255      7.629031
  H      -9.176589      4.333361      5.984028
  H      -9.423040      2.779124      6.842092
  H     -11.279861      3.410819      5.336056
  H     -13.162894      2.578775      3.964451
  H     -11.479835     -0.406192      0.900692
  H      -9.170177     -1.325117      0.442625
  H      -7.254630     -0.514164      1.837833
  N      -5.129246      2.428498      4.201396
  N      -6.006519      2.283717      3.273533
  H      -6.837774      1.652113      3.413143
  H      -6.102055      2.981858      2.501921
102
Coordinates from ORCA-job orca E -6484.778758322111
  N      -3.168864      0.598846      4.917418
  Mo     -3.972092      2.297200      5.544562
  N      -5.262133      2.002355      7.009299
  C      -4.772772      1.860608      8.380086
  C      -3.433070      1.144315      8.343926
  N      -2.589578      1.773202      7.297469
  C      -1.565889      0.849817      6.750057
  C      -2.225415     -0.111644      5.784314
  C      -1.987776      3.042111      7.771985
  C      -1.709558      3.934533      6.580888
  N      -2.876522      3.970279      5.686448
  H      -1.441086     -0.606072      5.185303
  H      -2.756316     -0.920877      6.323748
  H      -0.830470      1.462569      6.210654
  H      -1.041999      0.320841      7.564128
  H      -1.490401      4.950039      6.953463
  H      -0.806331      3.606825      6.031790
  H      -2.721192      3.533413      8.425009
  H      -1.077338      2.842850      8.363102
  H      -5.481267      1.263785      8.978391
  H      -4.685256      2.842184      8.884032
  H      -3.595229      0.096620      8.057512
  H      -2.918904      1.165371      9.319993
  C      -3.603663     -0.257638      3.809036
  C      -2.596144     -0.315446      2.647402
  C      -2.755211      0.813361      1.646887
  O      -3.992405      0.540345      0.941471
  C      -4.474280      1.280988     -0.076769
  C      -5.674130      0.826991     -0.615450
  C      -6.289126      1.521347     -1.666037
  N      -5.805211      2.620348     -2.229770
  C      -4.618015      3.072603     -1.739645
  C      -4.048374      4.231038     -2.326153
  C      -2.845844      4.709615     -1.861599
  C      -2.210088      4.027628     -0.799368
  N      -2.700814      2.947711     -0.213868
  C      -3.889080      2.454779     -0.661393
  C      -2.921848      5.282705      5.026970
  C      -3.959130      5.446363      3.931697
  C      -3.508619      4.794745      2.631185
  O      -4.643195      4.438790      1.827544
  C      -5.213917      5.335719      1.002827
  C      -4.690379      6.548247      0.591140
  C      -5.403217      7.298757     -0.371412
  N      -6.554754      6.948248     -0.922247
  C      -7.103963      5.775020     -0.489504
  C      -8.348975      5.345580     -1.009981
  C      -8.906602      4.174840     -0.543293
  C      -8.226093      3.436459      0.449186
  N      -7.053934      3.792921      0.955409
  C      -6.488303      4.936813      0.487626
  C      -6.714956      1.978881      6.850819
  C      -7.345924      3.374056      6.719338
  C      -8.771493      3.301910      6.200350
  O      -8.692509      2.609090      4.936201
  C      -9.815466      2.233925      4.306207
  C     -11.097880      2.677051      4.582907
  C     -12.167607      2.201025      3.791057
  N     -12.056675      1.341652      2.790681
  C     -10.801291      0.876117      2.523730
  C     -10.613850     -0.064252      1.480559
  C      -9.350802     -0.556407      1.227987
  C      -8.270835     -0.104737      2.016073
  N      -8.398278      0.785139      2.991550
  C      -9.639702      1.280133      3.250563
  H      -3.769189     -1.277331      4.201920
  H      -4.569470      0.095059      3.426097
  H      -1.566807     -0.290166      3.038113
  H      -2.704772     -1.271775      2.111788
  H      -1.923634      0.848762      0.933130
  H      -2.824591      1.793360      2.139991
  H      -6.128895     -0.076243     -0.209092
  H      -7.240047      1.150864     -2.062826
  H      -4.595290      4.713332     -3.137873
  H      -2.383096      5.597786     -2.293654
  H      -1.250118      4.390590     -0.417394
  H      -1.918661      5.507041      4.610538
  H      -3.098473      6.043820      5.809496
  H      -4.150886      6.518182      3.776615
  H      -4.908438      4.988431      4.247872
  H      -3.010628      3.837440      2.830547
  H      -2.806935      5.425458      2.066253
  H      -3.737045      6.924462      0.959393
  H      -4.975747      8.247838     -0.711082
  H      -8.835065      5.961922     -1.767754
  H      -9.863714      3.814268     -0.921427
  H      -8.666107      2.516057      0.840896
  H      -7.168192      1.447726      7.706132
  H      -6.962125      1.399223      5.952597
  H      -6.741046      3.969125      6.017013
  H      -7.341977      3.902878      7.684618
  H      -9.197405      4.307070      6.052851
  H      -9.431705      2.732721      6.876853
  H     -11.295112      3.391840      5.380706
  H     -13.177630      2.565443      4.004416
  H     -11.486436     -0.379229      0.906144
  H      -9.174767     -1.285105      0.436196
  H      -7.260017     -0.482097      1.838347
  N      -5.140055      2.441428      4.217375
  N      -6.018120      2.299306      3.290183
  H      -6.851895      1.670047      3.428441
  H      -6.105888      2.991535      2.512500
102
Coordinates from ORCA-job orca E -6484.778769724487
  N      -3.172138      0.599844      4.915613
  Mo     -3.973152      2.299396      5.542483
  N      -5.261975      2.005101      7.008743
  C      -4.771646      1.866192      8.379424
  C      -3.432514      1.148880      8.343321
  N      -2.589846      1.775415      7.294867
  C      -1.568068      0.849937      6.747444
  C      -2.229940     -0.111399      5.783225
  C      -1.985991      3.044172      7.767129
  C      -1.707564      3.934905      6.574870
  N      -2.874805      3.970995      5.680793
  H      -1.446744     -0.608356      5.184829
  H      -2.762387     -0.918756      6.324026
  H      -0.831815      1.460747      6.206939
  H      -1.044507      0.320732      7.561583
  H      -1.487256      4.950642      6.946243
  H      -0.804917      3.605982      6.025467
  H      -2.718265      3.537333      8.420104
  H      -1.075389      2.844615      8.357912
  H      -5.480023      1.271100      8.979612
  H      -4.682949      2.848764      8.881156
  H      -3.595616      0.100727      8.059085
  H      -2.917231      1.171567      9.318765
  C      -3.609202     -0.257463      3.808762
  C      -2.600272     -0.324202      2.648760
  C      -2.750680      0.803138      1.645496
  O      -3.990443      0.538517      0.941384
  C      -4.467466      1.281310     -0.077649
  C      -5.669508      0.833704     -0.616644
  C      -6.281731      1.532640     -1.665685
  N      -5.793351      2.630653     -2.227379
  C      -4.603919      3.076651     -1.737085
  C      -4.030127      4.234434     -2.320844
  C      -2.825609      4.707210     -1.855540
  C      -2.192264      4.020340     -0.795022
  N      -2.687027      2.941027     -0.211797
  C      -3.877030      2.453329     -0.660601
  C      -2.919327      5.283443      5.020959
  C      -3.957393      5.448404      3.926618
  C      -3.509594      4.796617      2.625194
  O      -4.645812      4.440841      1.823640
  C      -5.217808      5.338375      1.000449
  C      -4.694276      6.550885      0.588612
  C      -5.408317      7.302618     -0.372125
  N      -6.561151      6.953482     -0.920968
  C      -7.110377      5.780274     -0.488084
  C      -8.356820      5.352382     -1.006338
  C      -8.914550      4.181734     -0.539579
  C      -8.232409      3.441703      0.450457
  N      -7.058985      3.796729      0.954737
  C      -6.493461      4.940730      0.487156
  C      -6.715176      1.979437      6.851996
  C      -7.348895      3.373307      6.719501
  C      -8.775364      3.298098      6.202920
  O      -8.697652      2.601349      4.940929
  C      -9.820564      2.226311      4.310749
  C     -11.103639      2.667393      4.588286
  C     -12.173007      2.190250      3.796602
  N     -12.061373      1.330923      2.796236
  C     -10.805333      0.867786      2.528189
  C     -10.617156     -0.072602      1.485225
  C      -9.353060     -0.560808      1.230200
  C      -8.272764     -0.104809      2.015329
  N      -8.401097      0.784411      2.991257
  C      -9.643736      1.274506      3.253550
  H      -3.780527     -1.275254      4.204169
  H      -4.572579      0.098900      3.423215
  H      -1.571286     -0.304341      3.040660
  H      -2.714221     -1.281104      2.115308
  H      -1.919118      0.830429      0.931387
  H      -2.812040      1.784707      2.136346
  H      -6.128921     -0.067346     -0.210778
  H      -7.234549      1.167317     -2.062542
  H      -4.575426      4.720648     -3.131281
  H      -2.359522      5.594596     -2.285614
  H      -1.231191      4.379178     -0.411885
  H      -1.916292      5.506775      4.603615
  H      -3.094543      6.044749      5.803629
  H      -4.147838      6.520505      3.771870
  H      -4.906889      4.992026      4.243776
  H      -3.011272      3.839308      2.823509
  H      -2.809077      5.427550      2.059042
  H      -3.740147      6.926379      0.955473
  H      -4.980449      8.251368     -0.712220
  H      -8.844241      5.969763     -1.762378
  H      -9.872933      3.822521     -0.915740
  H      -8.671832      2.520699      0.841451
  H      -7.166634      1.448659      7.708502
  H      -6.962601      1.398360      5.954828
  H      -6.746119      3.967900      6.015122
  H      -7.344002      3.903819      7.683841
  H      -9.202078      4.302593      6.053134
  H      -9.434295      2.730455      6.881947
  H     -11.301959      3.380491      5.387331
  H     -13.183380      2.553336      4.010353
  H     -11.489918     -0.390532      0.912698
  H      -9.176483     -1.289545      0.438561
  H      -7.260916     -0.477957      1.834599
  N      -5.142143      2.444288      4.216119
  N      -6.021677      2.302775      3.290361
  H      -6.854077      1.671771      3.428190
  H      -6.108380      2.993326      2.511323
102
Coordinates from ORCA-job orca E -6484.778785598007
  N      -3.180226      0.612709      4.908451
  Mo     -3.983186      2.307126      5.546580
  N      -5.265555      1.998458      7.016131
  C      -4.771203      1.858466      8.385162
  C      -3.429673      1.146231      8.342761
  N      -2.593853      1.779376      7.292948
  C      -1.572062      0.858634      6.737626
  C      -2.235448     -0.100235      5.771949
  C      -1.992202      3.047947      7.768146
  C      -1.718129      3.944001      6.579094
  N      -2.884723      3.978830      5.684103
  H      -1.452848     -0.594885      5.170850
  H      -2.765985     -0.909625      6.311809
  H      -0.838696      1.473028      6.197196
  H      -1.044456      0.326776      7.547445
  H      -1.502306      4.959436      6.954232
  H      -0.813916      3.621662      6.028136
  H      -2.724370      3.537033      8.424363
  H      -1.080025      2.848882      8.356733
  H      -5.475792      1.259355      8.985771
  H      -4.684581      2.839990      8.889058
  H      -3.589664      0.098193      8.056459
  H      -2.910603      1.168623      9.316194
  C      -3.618674     -0.241125      3.799675
  C      -2.607136     -0.314898      2.642348
  C      -2.747674      0.812299      1.637734
  O      -3.991608      0.559908      0.936544
  C      -4.458426      1.301851     -0.087826
  C      -5.660886      0.860671     -0.630773
  C      -6.265178      1.562117     -1.682615
  N      -5.767778      2.656107     -2.244209
  C      -4.577033      3.094933     -1.750804
  C      -3.994162      4.248651     -2.333693
  C      -2.789326      4.715426     -1.863480
  C      -2.165183      4.027260     -0.798318
  N      -2.668446      2.951499     -0.215691
  C      -3.858391      2.469015     -0.670300
  C      -2.923143      5.288238      5.017255
  C      -3.955911      5.450636      3.917540
  C      -3.505730      4.788798      2.621892
  O      -4.640703      4.431467      1.819145
  C      -5.201973      5.323347      0.982534
  C      -4.666490      6.526303      0.558339
  C      -5.368518      7.271296     -0.416319
  N      -6.520729      6.924593     -0.967631
  C      -7.082328      5.761879     -0.522511
  C      -8.329263      5.337920     -1.042418
  C      -8.900109      4.178547     -0.563413
  C      -8.229798      3.445410      0.439628
  N      -7.055993      3.796648      0.945772
  C      -6.478184      4.929872      0.467154
  C      -6.719333      1.964346      6.864551
  C      -7.363506      3.354972      6.748385
  C      -8.793170      3.274578      6.241213
  O      -8.720240      2.587236      4.973893
  C      -9.844838      2.208749      4.348978
  C     -11.129978      2.632909      4.643022
  C     -12.201541      2.152335      3.856306
  N     -12.090150      1.303782      2.846572
  C     -10.831647      0.857462      2.561890
  C     -10.643311     -0.071600      1.508923
  C      -9.376073     -0.541740      1.235952
  C      -8.292863     -0.078267      2.012622
  N      -8.421598      0.800241      2.998105
  C      -9.667477      1.271115      3.279336
  H      -3.797679     -1.258110      4.194083
  H      -4.578649      0.121163      3.411305
  H      -1.578868     -0.300963      3.036204
  H      -2.725738     -1.271498      2.109660
  H      -1.917244      0.830076      0.921907
  H      -2.797556      1.795082      2.127281
  H      -6.128035     -0.036066     -0.224310
  H      -7.219026      1.202535     -2.081985
  H      -4.533325      4.736847     -3.146916
  H      -2.316472      5.599831     -2.292395
  H      -1.205018      4.382645     -0.409837
  H      -1.917709      5.506528      4.602875
  H      -3.099525      6.054005      5.795340
  H      -4.141064      6.522618      3.755156
  H      -4.908783      5.000739      4.233607
  H      -3.010965      3.831263      2.828354
  H      -2.801542      5.414187      2.054149
  H      -3.711530      6.898996      0.925668
  H      -4.930165      8.211434     -0.766605
  H      -8.806966      5.949100     -1.809584
  H      -9.859771      3.823166     -0.939893
  H      -8.678570      2.532479      0.839168
  H      -7.163822      1.422204      7.717676
  H      -6.966383      1.390341      5.962812
  H      -6.769560      3.959078      6.044758
  H      -7.355043      3.877453      7.717053
  H      -9.226408      4.277822      6.101536
  H      -9.444276      2.698394      6.920550
  H     -11.328917      3.333945      5.452486
  H     -13.213634      2.501994      4.083299
  H     -11.518326     -0.395687      0.943318
  H      -9.199322     -1.262088      0.436702
  H      -7.278239     -0.435726      1.816254
  N      -5.156935      2.456482      4.224559
  N      -6.040765      2.318524      3.302541
  H      -6.873677      1.688377      3.440562
  H      -6.118506      3.000734      2.515559
102
Coordinates from ORCA-job orca E -6484.778801081890
  N      -3.189176      0.629556      4.902762
  Mo     -3.993028      2.318938      5.553151
  N      -5.269386      1.994724      7.025319
  C      -4.771284      1.852912      8.392854
  C      -3.427399      1.145590      8.344137
  N      -2.598202      1.785761      7.293445
  C      -1.576659      0.870117      6.729319
  C      -2.242305     -0.085736      5.762221
  C      -1.998432      3.053500      7.772672
  C      -1.727691      3.955370      6.587654
  N      -2.892798      3.989575      5.690799
  H      -1.460834     -0.579062      5.158648
  H      -2.771672     -0.896464      6.301350
  H      -0.846515      1.488321      6.188861
  H      -1.044599      0.335223      7.534251
  H      -1.516682      4.970205      6.967388
  H      -0.821501      3.639979      6.035743
  H      -2.730552      3.538290      8.432150
  H      -1.085021      2.854178      8.359299
  H      -5.472285      1.249711      8.993462
  H      -4.686636      2.833171      8.899297
  H      -3.584416      0.097870      8.055259
  H      -2.904662      1.167176      9.315601
  C      -3.632659     -0.222019      3.794611
  C      -2.621968     -0.306077      2.637288
  C      -2.754743      0.819453      1.629893
  O      -4.006051      0.580313      0.937260
  C      -4.462335      1.315951     -0.096329
  C      -5.663339      0.876480     -0.643631
  C      -6.256850      1.572217     -1.705404
  N      -5.749038      2.657975     -2.273619
  C      -4.559186      3.094494     -1.775902
  C      -3.965206      4.239022     -2.365613
  C      -2.762379      4.704714     -1.889353
  C      -2.151644      4.025068     -0.811003
  N      -2.664622      2.956899     -0.222767
  C      -3.852317      2.475074     -0.683975
  C      -2.921780      5.295116      5.015668
  C      -3.948071      5.456448      3.909906
  C      -3.497981      4.781111      2.621097
  O      -4.633515      4.427527      1.817410
  C      -5.182332      5.318052      0.971058
  C      -4.632928      6.512091      0.539650
  C      -5.322887      7.256516     -0.443940
  N      -6.476331      6.917682     -0.997242
  C      -7.052354      5.765071     -0.544353
  C      -8.302218      5.351145     -1.064843
  C      -8.888791      4.203220     -0.577122
  C      -8.230414      3.471042      0.434385
  N      -7.053677      3.812332      0.940760
  C      -6.461111      4.934606      0.454482
  C      -6.723433      1.949941      6.878017
  C      -7.379769      3.335931      6.774544
  C      -8.811272      3.246835      6.273937
  O      -8.739030      2.565339      5.003677
  C      -9.863253      2.182466      4.380993
  C     -11.151223      2.588960      4.687275
  C     -12.222255      2.103052      3.903053
  N     -12.107777      1.264586      2.885139
  C     -10.845976      0.836200      2.587741
  C     -10.653674     -0.081364      1.525454
  C      -9.382360     -0.531807      1.238345
  C      -8.299192     -0.059717      2.009862
  N      -8.431932      0.807865      3.004432
  C      -9.681863      1.258293      3.300375
  H      -3.819765     -1.237244      4.190187
  H      -4.589679      0.146922      3.405189
  H      -1.593164     -0.298563      3.029838
  H      -2.748026     -1.263290      2.107539
  H      -1.928653      0.824280      0.908633
  H      -2.788517      1.804432      2.116195
  H      -6.138416     -0.013872     -0.232285
  H      -7.209946      1.214454     -2.108236
  H      -4.495113      4.721880     -3.187988
  H      -2.281479      5.582633     -2.322693
  H      -1.194054      4.380643     -0.416526
  H      -1.913136      5.505604      4.604981
  H      -3.098122      6.066418      5.788254
  H      -4.123784      6.528627      3.738225
  H      -4.906165      5.017225      4.225203
  H      -3.011357      3.821272      2.836298
  H      -2.787312      5.397185      2.051375
  H      -3.675900      6.878238      0.908009
  H      -4.872924      8.188957     -0.799872
  H      -8.770172      5.960649     -1.839276
  H      -9.851847      3.856466     -0.953026
  H      -8.691463      2.567410      0.841032
  H      -7.160659      1.397635      7.728397
  H      -6.968746      1.380723      5.972860
  H      -6.794194      3.949196      6.071877
  H      -7.370800      3.852009      7.746612
  H      -9.252148      4.247636      6.140350
  H      -9.455087      2.663224      6.953880
  H     -11.353326      3.279035      5.505295
  H     -13.236783      2.438686      4.139818
  H     -11.528742     -0.412462      0.964018
  H      -9.202496     -1.243294      0.431871
  H      -7.281173     -0.399862      1.800603
  N      -5.170636      2.474869      4.234928
  N      -6.059064      2.342263      3.316718
  H      -6.889370      1.708530      3.451577
  H      -6.128329      3.017181      2.522693
102
Coordinates from ORCA-job orca E -6484.778811871407
  N      -3.195562      0.642072      4.897888
  Mo     -4.001980      2.326130      5.559099
  N      -5.272438      1.989236      7.033938
  C      -4.769945      1.844813      8.399774
  C      -3.423721      1.142461      8.344561
  N      -2.600784      1.789607      7.293227
  C      -1.578733      0.879415      6.721275
  C      -2.245731     -0.074481      5.753155
  C      -2.003707      3.057245      7.775869
  C      -1.737671      3.964595      6.594195
  N      -2.902655      3.997214      5.697292
  H      -1.465072     -0.565470      5.146692
  H      -2.772851     -0.887171      6.291533
  H      -0.852487      1.501842      6.180452
  H      -1.041925      0.342648      7.521817
  H      -1.531170      4.978950      6.977738
  H      -0.830204      3.655660      6.040654
  H      -2.735937      3.537212      8.438715
  H      -1.088616      2.858487      8.360061
  H      -5.467250      1.237640      9.000552
  H      -4.686897      2.823757      8.908896
  H      -3.577817      0.095163      8.052761
  H      -2.897614      1.162853      9.314197
  C      -3.641861     -0.207007      3.789129
  C      -2.631355     -0.297421      2.631928
  C      -2.755978      0.829146      1.624448
  O      -4.012765      0.603968      0.937074
  C      -4.459280      1.335263     -0.104022
  C      -5.661431      0.900346     -0.652446
  C      -6.247021      1.593144     -1.720634
  N      -5.730044      2.671710     -2.294148
  C      -4.539007      3.103754     -1.795117
  C      -3.935959      4.240768     -2.390024
  C      -2.732292      4.702617     -1.912152
  C      -2.129991      4.026815     -0.826732
  N      -2.651358      2.965287     -0.233661
  C      -3.839760      2.486906     -0.696806
  C      -2.926953      5.299769      5.016239
  C      -3.948851      5.458351      3.906215
  C      -3.498145      4.770891      2.624176
  O      -4.632935      4.417943      1.819049
  C      -5.171836      5.305003      0.962634
  C      -4.612869      6.492114      0.524539
  C      -5.293422      7.233353     -0.467943
  N      -6.446358      6.897571     -1.024096
  C      -7.031851      5.752264     -0.564848
  C      -8.282014      5.342458     -1.087688
  C      -8.878929      4.202827     -0.592820
  C      -8.230521      3.474911      0.428221
  N      -7.053302      3.811956      0.936475
  C      -6.450669      4.925851      0.443285
  C      -6.726542      1.937819      6.890564
  C      -7.389424      3.321291      6.795935
  C      -8.822486      3.227893      6.300867
  O      -8.752275      2.553419      5.026939
  C      -9.877351      2.168494      4.407202
  C     -11.166389      2.562470      4.724752
  C     -12.238447      2.074178      3.943348
  N     -12.123784      1.245220      2.917698
  C     -10.860485      0.829717      2.608563
  C     -10.667395     -0.077421      1.537443
  C      -9.394348     -0.515655      1.239277
  C      -8.310393     -0.042018      2.008754
  N      -8.443960      0.816220      3.011274
  C      -9.695452      1.254916      3.317674
  H      -3.834700     -1.221284      4.184591
  H      -4.596688      0.166990      3.399059
  H      -1.602399     -0.296861      3.024182
  H      -2.763777     -1.253954      2.102474
  H      -1.933026      0.823750      0.899521
  H      -2.775501      1.814676      2.110042
  H      -6.143646      0.015683     -0.237098
  H      -7.201349      1.239308     -2.124194
  H      -4.459801      4.721273     -3.217665
  H      -2.244330      5.574589     -2.349636
  H      -1.171747      4.379219     -0.431025
  H      -1.916330      5.505758      4.608107
  H      -3.104120      6.075105      5.784528
  H      -4.117976      6.530193      3.725979
  H      -4.910517      5.026883      4.221603
  H      -3.018024      3.809918      2.848302
  H      -2.781883      5.378312      2.052262
  H      -3.655430      6.855303      0.894730
  H      -4.836056      8.160438     -0.828374
  H      -8.742074      5.948432     -1.869600
  H      -9.842701      3.859639     -0.970223
  H      -8.700268      2.578797      0.841583
  H      -7.158491      1.379182      7.739463
  H      -6.971881      1.371722      5.983443
  H      -6.809279      3.940408      6.093831
  H      -7.379243      3.832729      7.770432
  H      -9.268737      4.227180      6.173803
  H      -9.460456      2.638002      6.980935
  H     -11.368758      3.244597      5.549355
  H     -13.254166      2.399479      4.189413
  H     -11.543152     -0.410521      0.978281
  H      -9.213770     -1.219018      0.425857
  H      -7.291071     -0.372602      1.790850
  N      -5.183648      2.486155      4.244820
  N      -6.076187      2.357466      3.330222
  H      -6.905637      1.722857      3.464406
  H      -6.138941      3.025920      2.530237
102
Coordinates from ORCA-job orca E -6484.778821668125
  N      -3.199273      0.650138      4.894450
  Mo     -4.007750      2.330728      5.562723
  N      -5.273640      1.987690      7.040366
  C      -4.766687      1.841358      8.404641
  C      -3.419202      1.141816      8.344248
  N      -2.600818      1.793182      7.291912
  C      -1.578557      0.886631      6.714528
  C      -2.247130     -0.066731      5.747023
  C      -2.005389      3.061040      7.776014
  C      -1.743339      3.971353      6.595869
  N      -2.908980      4.001990      5.700008
  H      -1.467633     -0.557045      5.138624
  H      -2.772608     -0.880055      6.285964
  H      -0.855914      1.511965      6.172302
  H      -1.037585      0.349462      7.511997
  H      -1.539622      4.985616      6.981120
  H      -0.835439      3.666200      6.040912
  H      -2.737389      3.537877      8.441327
  H      -1.088830      2.862904      8.358091
  H      -5.461346      1.232395      9.006528
  H      -4.683520      2.819689      8.914929
  H      -3.572026      0.094859      8.050627
  H      -2.890257      1.161152      9.312328
  C      -3.649825     -0.199082      3.787473
  C      -2.641775     -0.297219      2.628547
  C      -2.758881      0.830292      1.620901
  O      -4.021952      0.620399      0.940526
  C      -4.459027      1.348203     -0.107104
  C      -5.661593      0.917785     -0.658109
  C      -6.239084      1.608708     -1.732138
  N      -5.713515      2.681419     -2.308680
  C      -4.522291      3.109520     -1.806320
  C      -3.911449      4.241311     -2.402943
  C      -2.707982      4.700030     -1.921368
  C      -2.113766      4.026152     -0.830416
  N      -2.642517      2.969141     -0.235510
  C      -3.830727      2.493959     -0.702442
  C      -2.932187      5.302874      5.015712
  C      -3.951473      5.459290      3.903195
  C      -3.501260      4.762074      2.626608
  O      -4.635674      4.410604      1.820004
  C      -5.168416      5.296536      0.958333
  C      -4.602570      6.478613      0.515651
  C      -5.278266      7.219466     -0.480419
  N      -6.432373      6.887303     -1.036464
  C      -7.024224      5.746910     -0.573210
  C      -8.275857      5.341236     -1.095837
  C      -8.879815      4.207467     -0.595858
  C      -8.237307      3.481563      0.430433
  N      -7.058433      3.814191      0.937920
  C      -6.448586      4.921826      0.439274
  C      -6.727918      1.932689      6.900527
  C      -7.392903      3.314936      6.803513
  C      -8.826819      3.218247      6.311720
  O      -8.757953      2.544370      5.037549
  C      -9.883758      2.157782      4.420102
  C     -11.173314      2.544799      4.743615
  C     -12.245647      2.054639      3.963620
  N     -12.130660      1.231634      2.933322
  C     -10.866502      0.823646      2.617721
  C     -10.672378     -0.076248      1.540605
  C      -9.398431     -0.508513      1.237635
  C      -8.314790     -0.036727      2.008732
  N      -8.449305      0.815420      3.016273
  C      -9.701497      1.249396      3.326187
  H      -3.846687     -1.211769      4.185133
  H      -4.603599      0.178359      3.398073
  H      -1.612067     -0.304574      3.018850
  H      -2.782359     -1.253091      2.099917
  H      -1.940344      0.813637      0.891037
  H      -2.762130      1.816282      2.105521
  H      -6.150090      0.037427     -0.240899
  H      -7.193811      1.258402     -2.137946
  H      -4.429326      4.720926     -3.234901
  H      -2.214167      5.568033     -2.360154
  H      -1.155617      4.375748     -0.431978
  H      -1.920550      5.507310      4.609271
  H      -3.110775      6.080300      5.781519
  H      -4.115144      6.530793      3.716209
  H      -4.915766      5.034228      4.219571
  H      -3.027565      3.799723      2.857642
  H      -2.779743      5.361304      2.052716
  H      -3.643438      6.838009      0.885232
  H      -4.815941      8.142967     -0.843751
  H      -8.731220      5.945829     -1.881573
  H      -9.844771      3.867469     -0.973200
  H      -8.713665      2.591580      0.849511
  H      -7.156426      1.375626      7.752096
  H      -6.974634      1.363134      5.995790
  H      -6.814810      3.933293      6.099010
  H      -7.382336      3.828440      7.776936
  H      -9.276378      4.216092      6.185071
  H      -9.461167      2.626990      6.994049
  H     -11.375991      3.223757      5.570727
  H     -13.262180      2.373326      4.215131
  H     -11.548039     -0.408758      0.980950
  H      -9.216780     -1.205949      0.419360
  H      -7.294927     -0.363657      1.788028
  N      -5.192495      2.492806      4.251542
  N      -6.088635      2.367293      3.340325
  H      -6.915428      1.729376      3.472708
  H      -6.147378      3.031187      2.536472
102
Coordinates from ORCA-job orca E -6484.778830693379
  N      -3.203424      0.662077      4.888788
  Mo     -4.016190      2.336610      5.567685
  N      -5.275567      1.982636      7.048460
  C      -4.763593      1.832519      8.410479
  C      -3.413445      1.138963      8.342643
  N      -2.601687      1.798219      7.290075
  C      -1.577972      0.898203      6.704933
  C      -2.246851     -0.054440      5.736891
  C      -2.010407      3.066732      7.777434
  C      -1.754438      3.982471      6.600211
  N      -2.920215      4.009460      5.704558
  H      -1.467807     -0.541425      5.125288
  H      -2.768604     -0.870381      6.275553
  H      -0.860406      1.528679      6.161903
  H      -1.031259      0.360303      7.497992
  H      -1.556258      4.996642      6.988696
  H      -0.845047      3.684395      6.043672
  H      -2.743046      3.537974      8.446036
  H      -1.091908      2.870323      8.357045
  H      -5.454111      1.218611      9.012068
  H      -4.682583      2.809111      8.924418
  H      -3.562861      0.092570      8.045269
  H      -2.881148      1.156526      9.308902
  C      -3.658278     -0.186602      3.783162
  C      -2.652898     -0.292489      2.622667
  C      -2.761098      0.836094      1.615245
  O      -4.031448      0.644961      0.943395
  C      -4.455945      1.368051     -0.112712
  C      -5.659316      0.944489     -0.666878
  C      -6.225451      1.633254     -1.748428
  N      -5.687509      2.697356     -2.329408
  C      -4.495553      3.119016     -1.823236
  C      -3.872856      4.242590     -2.422950
  C      -2.669432      4.696124     -1.936271
  C      -2.087592      4.025616     -0.836676
  N      -2.627425      2.975773     -0.238855
  C      -3.815237      2.505279     -0.711416
  C      -2.942014      5.307931      5.015250
  C      -3.957222      5.459888      3.898454
  C      -3.504945      4.751831      2.628805
  O      -4.637660      4.399679      1.819910
  C      -5.160632      5.281049      0.947602
  C      -4.583113      6.453350      0.494383
  C      -5.249855      7.190380     -0.510450
  N      -6.405950      6.863403     -1.065355
  C      -7.009309      5.733310     -0.591908
  C      -8.264193      5.334810     -1.112258
  C      -8.880615      4.212939     -0.600795
  C      -8.247214      3.491507      0.434287
  N      -7.065141      3.816777      0.939318
  C      -6.443244      4.912808      0.429755
  C      -6.730091      1.921336      6.912533
  C      -7.401055      3.301060      6.822545
  C      -8.836638      3.199933      6.336782
  O      -8.770003      2.535620      5.057355
  C      -9.896616      2.144669      4.443999
  C     -11.187061      2.519338      4.777929
  C     -12.260055      2.027168      3.999931
  N     -12.144818      1.213917      2.961992
  C     -10.879431      0.818035      2.635868
  C     -10.684389     -0.070519      1.549529
  C      -9.409009     -0.491255      1.236490
  C      -8.324928     -0.019550      2.007024
  N      -8.460386      0.822788      3.022686
  C      -9.713915      1.245932      3.342069
  H      -3.859503     -1.197874      4.182446
  H      -4.610890      0.194646      3.394714
  H      -1.622538     -0.308816      3.010964
  H      -2.802496     -1.247149      2.094395
  H      -1.947806      0.806778      0.879838
  H      -2.745802      1.822264      2.098951
  H      -6.157456      0.071251     -0.246063
  H      -7.181070      1.288626     -2.156797
  H      -4.381949      4.720798     -3.261095
  H      -2.166851      5.558084     -2.376988
  H      -1.130316      4.371838     -0.433205
  H      -1.928950      5.511356      4.611791
  H      -3.123917      6.088153      5.777426
  H      -4.116184      6.530612      3.703153
  H      -4.924108      5.040798      4.215064
  H      -3.037044      3.788899      2.869000
  H      -2.777921      5.342840      2.053256
  H      -3.621371      6.807368      0.862359
  H      -4.778138      8.105722     -0.882211
  H      -8.711978      5.935975     -1.904948
  H      -9.848512      3.878938     -0.975960
  H      -8.733806      2.611611      0.862999
  H      -7.153410      1.359476      7.763521
  H      -6.977169      1.353532      6.006686
  H      -6.828424      3.923913      6.117673
  H      -7.388537      3.811389      7.797633
  H      -9.293078      4.195726      6.218882
  H      -9.463838      2.600353      7.018465
  H     -11.390168      3.190902      5.610930
  H     -13.277553      2.335559      4.260244
  H     -11.560508     -0.403821      0.991044
  H      -9.226339     -1.179486      0.410685
  H      -7.303973     -0.338274      1.779319
  N      -5.205459      2.500794      4.260943
  N      -6.105919      2.379293      3.353884
  H      -6.931090      1.739014      3.484962
  H      -6.159582      3.037194      2.545077
102
Coordinates from ORCA-job orca E -6484.778853197559
  N      -3.208618      0.675447      4.879203
  Mo     -4.028262      2.341601      5.571995
  N      -5.276808      1.976684      7.059457
  C      -4.755446      1.822344      8.417438
  C      -3.401867      1.137031      8.337892
  N      -2.600511      1.805969      7.283450
  C      -1.575021      0.914683      6.687761
  C      -2.244669     -0.038862      5.721131
  C      -2.014995      3.076518      7.772499
  C      -1.769670      3.997909      6.597303
  N      -2.936791      4.017122      5.703412
  H      -1.466653     -0.521888      5.105200
  H      -2.760231     -0.857873      6.261241
  H      -0.865698      1.551945      6.141791
  H      -1.019012      0.377500      7.474825
  H      -1.579276      5.012725      6.988031
  H      -0.858845      3.709081      6.038016
  H      -2.747879      3.540670      8.445812
  H      -1.092998      2.883935      8.347848
  H      -5.439295      1.202433      9.020433
  H      -4.676334      2.797086      8.935195
  H      -3.547121      0.091212      8.036393
  H      -2.863788      1.152876      9.300975
  C      -3.672088     -0.174415      3.778031
  C      -2.672899     -0.294863      2.614076
  C      -2.760220      0.839421      1.611193
  O      -4.044919      0.692644      0.956613
  C      -4.443423      1.409398     -0.114074
  C      -5.648981      1.002970     -0.675510
  C      -6.190324      1.689199     -1.771431
  N      -5.625101      2.734628     -2.360010
  C      -4.431541      3.140755     -1.844829
  C      -3.782578      4.246486     -2.449416
  C      -2.578995      4.687305     -1.951251
  C      -2.024150      4.022289     -0.834672
  N      -2.588273      2.987534     -0.232613
  C      -3.775829      2.529037     -0.717267
  C      -2.962278      5.312770      5.007993
  C      -3.972590      5.455371      3.885388
  C      -3.517338      4.732867      2.625277
  O      -4.647856      4.377557      1.813899
  C      -5.163199      5.253428      0.931272
  C      -4.572606      6.412705      0.462074
  C      -5.233705      7.146469     -0.548797
  N      -6.396449      6.828347     -1.094713
  C      -7.012378      5.711764     -0.605864
  C      -8.275271      5.324689     -1.115570
  C      -8.905110      4.218254     -0.587174
  C      -8.277115      3.500667      0.453795
  N      -7.087664      3.814639      0.948695
  C      -6.452583      4.895330      0.422663
  C      -6.732301      1.908478      6.931389
  C      -7.408738      3.285372      6.841901
  C      -8.846907      3.178446      6.365215
  O      -8.784885      2.521359      5.081556
  C      -9.913325      2.127832      4.472873
  C     -11.203903      2.492559      4.816991
  C     -12.278245      2.000795      4.040312
  N     -12.164394      1.197440      2.994702
  C     -10.898663      0.811098      2.658358
  C     -10.704373     -0.065414      1.562183
  C      -9.428356     -0.475981      1.238448
  C      -8.342950     -0.006395      2.008408
  N      -8.477848      0.825255      3.032982
  C      -9.731998      1.238732      3.362616
  H      -3.880102     -1.182684      4.181804
  H      -4.623105      0.212563      3.391647
  H      -1.641495     -0.333315      2.998028
  H      -2.843508     -1.244740      2.083617
  H      -1.958431      0.785184      0.864372
  H      -2.704630      1.823253      2.096279
  H      -6.168711      0.145490     -0.248428
  H      -7.147819      1.357990     -2.186146
  H      -4.272238      4.722697     -3.300153
  H      -2.056814      5.535949     -2.394999
  H      -1.068253      4.359530     -0.420442
  H      -1.948257      5.519709      4.608857
  H      -3.152419      6.095373      5.765713
  H      -4.127173      6.524530      3.678261
  H      -4.941804      5.043016      4.203467
  H      -3.055777      3.769977      2.877842
  H      -2.784072      5.313242      2.046673
  H      -3.604792      6.757893      0.822306
  H      -4.751497      8.050842     -0.933626
  H      -8.718060      5.923237     -1.912953
  H      -9.879566      3.893626     -0.953540
  H      -8.774363      2.633508      0.896202
  H      -7.148184      1.347342      7.786450
  H      -6.982509      1.336705      6.028679
  H      -6.842337      3.908080      6.132174
  H      -7.392111      3.798025      7.815761
  H      -9.311333      4.171416      6.255200
  H      -9.464981      2.571397      7.048670
  H     -11.406611      3.156872      5.655880
  H     -13.295984      2.300971      4.309099
  H     -11.581581     -0.397642      1.004736
  H      -9.245675     -1.153984      0.404232
  H      -7.321395     -0.318043      1.773303
  N      -5.225292      2.506242      4.272853
  N      -6.133366      2.390722      3.373659
  H      -6.954338      1.744536      3.502407
  H      -6.181296      3.040223      2.558511
102
Coordinates from ORCA-job orca E -6484.778877913182
  N      -3.213491      0.688661      4.869348
  Mo     -4.040118      2.346244      5.575986
  N      -5.277675      1.970834      7.070144
  C      -4.746774      1.812367      8.423948
  C      -3.389891      1.135375      8.332645
  N      -2.599037      1.813884      7.276368
  C      -1.571833      0.931373      6.670264
  C      -2.242160     -0.023244      5.705164
  C      -2.019359      3.086559      7.766924
  C      -1.784831      4.013310      6.593572
  N      -2.953332      4.024469      5.701550
  H      -1.465175     -0.502352      5.084988
  H      -2.751449     -0.845271      6.246794
  H      -0.870881      1.575375      6.121360
  H      -1.006528      0.395132      7.451331
  H      -1.602174      5.028783      6.986297
  H      -0.872714      3.733594      6.031545
  H      -2.752439      3.543686      8.444853
  H      -1.093888      2.897981      8.338034
  H      -5.423898      1.186579      9.028403
  H      -4.669436      2.785281      8.945426
  H      -3.531042      0.090165      8.027031
  H      -2.845997      1.149553      9.292486
  C      -3.685631     -0.162691      3.772988
  C      -2.692716     -0.297735      2.605821
  C      -2.758392      0.842199      1.607905
  O      -4.055857      0.741549      0.971024
  C      -4.428901      1.450264     -0.114294
  C      -5.636005      1.060007     -0.683021
  C      -6.152726      1.742185     -1.793459
  N      -5.560953      2.768249     -2.389675
  C      -4.366460      3.159905     -1.865381
  C      -3.692049      4.247393     -2.474760
  C      -2.489000      4.676705     -1.965002
  C      -1.961062      4.018802     -0.831460
  N      -2.548734      2.999526     -0.225231
  C      -3.735304      2.551862     -0.722001
  C      -2.983332      5.317413      5.000293
  C      -3.988762      5.450230      3.871936
  C      -3.530498      4.713605      2.621422
  O      -4.658877      4.354998      1.807691
  C      -5.167362      5.225583      0.915614
  C      -4.564234      6.371741      0.430798
  C      -5.220552      7.102842     -0.585035
  N      -6.390304      6.794270     -1.121196
  C      -7.018214      5.691226     -0.617310
  C      -8.289414      5.316349     -1.115599
  C      -8.932015      4.225448     -0.570590
  C      -8.308495      3.511006      0.475163
  N      -7.111412      3.812936      0.959206
  C      -6.463785      4.878202      0.416986
  C      -6.734096      1.895909      6.949923
  C      -7.415684      3.270028      6.859949
  C      -8.856295      3.157317      6.392199
  O      -8.798870      2.507266      5.104443
  C      -9.929123      2.111595      4.500182
  C     -11.219607      2.466954      4.854107
  C     -12.295348      1.976311      4.078357
  N     -12.183147      1.183033      3.025067
  C     -10.917294      0.805610      2.678890
  C     -10.724071     -0.058560      1.572813
  C      -9.447666     -0.459472      1.238690
  C      -8.360858      0.007157      2.008470
  N      -8.494900      0.827837      3.042045
  C      -9.749446      1.232184      3.381626
  H      -3.900379     -1.167808      4.181463
  H      -4.635039      0.229840      3.388578
  H      -1.660843     -0.358869      2.985556
  H      -2.884479     -1.242165      2.072942
  H      -1.969308      0.763342      0.849537
  H      -2.661732      1.821958      2.094354
  H      -6.176663      0.218775     -0.249600
  H      -7.111557      1.423614     -2.214602
  H      -4.162284      4.720388     -3.338124
  H      -1.947868      5.511815     -2.411700
  H      -1.007157      4.348056     -0.406346
  H      -1.968540      5.528703      4.605553
  H      -3.182322      6.102028      5.753661
  H      -4.139231      6.517654      3.653066
  H      -4.960153      5.044346      4.191483
  H      -3.075135      3.750943      2.886097
  H      -2.791149      5.283426      2.039880
  H      -3.590170      6.707563      0.782804
  H      -4.728318      7.996159     -0.982676
  H      -8.727861      5.912876     -1.916809
  H      -9.913222      3.910785     -0.927575
  H      -8.815831      2.656607      0.930962
  H      -7.142663      1.336264      7.809410
  H      -6.987456      1.319527      6.050786
  H      -6.855316      3.891947      6.145071
  H      -7.394977      3.785674      7.832207
  H      -9.328637      4.147336      6.289850
  H      -9.465243      2.543010      7.077410
  H     -11.421727      3.124036      5.698809
  H     -13.313144      2.268714      4.355334
  H     -11.602419     -0.389043      1.016091
  H      -9.265190     -1.126936      0.395979
  H      -7.338875     -0.297927      1.766248
  N      -5.244888      2.511078      4.284504
  N      -6.160652      2.401663      3.393444
  H      -6.977151      1.749285      3.519770
  H      -6.202863      3.042467      2.571941
102
Coordinates from ORCA-job orca E -6484.778898377038
  N      -3.218203      0.701169      4.859429
  Mo     -4.051551      2.350454      5.579164
  N      -5.278346      1.965391      7.079795
  C      -4.738129      1.802914      8.429431
  C      -3.378176      1.134058      8.326724
  N      -2.597533      1.821724      7.268753
  C      -1.568731      0.947729      6.652768
  C      -2.239636     -0.008144      5.689330
  C      -2.023580      3.096520      7.760635
  C      -1.799691      4.028250      6.588949
  N      -2.969599      4.031437      5.698894
  H      -1.463667     -0.483429      5.065053
  H      -2.742695     -0.833072      6.232519
  H      -0.876019      1.598181      6.100978
  H      -0.994429      0.412679      7.428070
  H      -1.624496      5.044341      6.983467
  H      -0.886467      3.757288      6.024231
  H      -2.756780      3.546853      8.442998
  H      -1.094736      2.911967      8.327597
  H      -5.408674      1.171445      9.035256
  H      -4.662464      2.774023      8.954546
  H      -3.515401      0.089483      8.017095
  H      -2.828679      1.146636      9.283396
  C      -3.698555     -0.151957      3.768014
  C      -2.711405     -0.300971      2.598285
  C      -2.755269      0.844334      1.605613
  O      -4.062839      0.789183      0.985134
  C      -4.411538      1.488919     -0.114175
  C      -5.619535      1.113694     -0.690275
  C      -6.112293      1.790887     -1.814795
  N      -5.495273      2.797684     -2.418025
  C      -4.300584      3.176168     -1.884424
  C      -3.602147      4.245857     -2.497828
  C      -2.400407      4.665081     -1.976279
  C      -1.898777      4.015268     -0.826401
  N      -2.508659      3.011058     -0.216769
  C      -3.693409      2.572824     -0.725777
  C      -3.004545      5.321823      4.992182
  C      -4.005510      5.444986      3.858583
  C      -3.544538      4.695117      2.617248
  O      -4.671135      4.333331      1.801675
  C      -5.173176      5.198542      0.900517
  C      -4.557611      6.330945      0.399672
  C      -5.209539      7.059387     -0.620809
  N      -6.386553      6.760958     -1.146527
  C      -7.026321      5.672106     -0.627156
  C      -8.306032      5.310202     -1.113308
  C      -8.961212      4.235563     -0.551255
  C      -8.341777      3.524229      0.499014
  N      -7.136870      3.813381      0.971543
  C      -6.476890      4.862502      0.412654
  C      -6.735560      1.884084      6.967167
  C      -7.422072      3.255482      6.876556
  C      -8.864942      3.136911      6.417633
  O      -8.812054      2.494092      5.125737
  C      -9.944102      2.095851      4.526268
  C     -11.234263      2.441486      4.890525
  C     -12.311696      1.951872      4.116180
  N     -12.201549      1.169004      3.055064
  C     -10.935742      0.800893      2.698479
  C     -10.744055     -0.050374      1.582215
  C      -9.467465     -0.441232      1.237090
  C      -8.378958      0.022190      2.006412
  N      -8.511704      0.831381      3.049279
  C      -9.766463      1.226326      3.399340
  H      -3.919664     -1.153911      4.181219
  H      -4.646361      0.245669      3.385213
  H      -1.679772     -0.384340      2.974442
  H      -2.923354     -1.239526      2.062745
  H      -1.978908      0.742567      0.836634
  H      -2.619322      1.818488      2.093507
  H      -6.180047      0.288609     -0.250961
  H      -7.071890      1.484023     -2.242507
  H      -4.053401      4.714867     -3.373379
  H      -1.841419      5.487052     -2.425340
  H      -0.947502      4.337640     -0.390273
  H      -1.989217      5.537815      4.601516
  H      -3.212236      6.108131      5.741442
  H      -4.152296      6.510596      3.628583
  H      -4.978832      5.045033      4.179675
  H      -3.095038      3.732834      2.893295
  H      -2.799515      5.254761      2.032879
  H      -3.577107      6.656854      0.742877
  H      -4.707401      7.941121     -1.031611
  H      -8.740359      5.904746     -1.918180
  H      -9.949319      3.931472     -0.898295
  H      -8.859076      2.683216      0.968544
  H      -7.137090      1.326156      7.831006
  H      -6.991940      1.303049      6.071639
  H      -6.867684      3.876581      6.156617
  H      -7.397379      3.774165      7.847161
  H      -9.345252      4.123835      6.323071
  H      -9.464648      2.515251      7.104411
  H     -11.435363      3.091182      5.741156
  H     -13.329395      2.236189      4.401834
  H     -11.623744     -0.378969      1.026456
  H      -9.285589     -1.097655      0.385629
  H      -7.356668     -0.276073      1.756566
  N      -5.263827      2.515152      4.295142
  N      -6.187029      2.411532      3.412101
  H      -6.999288      1.753388      3.536392
  H      -6.224377      3.044237      2.584844
102
Coordinates from ORCA-job orca E -6484.778918455877
  N      -3.222277      0.700599      4.854151
  Mo     -4.056652      2.348065      5.577421
  N      -5.278142      1.968154      7.083347
  C      -4.732192      1.803698      8.430246
  C      -3.372285      1.135860      8.321341
  N      -2.595319      1.824005      7.260950
  C      -1.567374      0.950788      6.641867
  C      -2.239677     -0.006863      5.680965
  C      -2.021563      3.100325      7.749462
  C      -1.803114      4.030875      6.575367
  N      -2.975480      4.029369      5.688698
  H      -1.464905     -0.481177      5.054524
  H      -2.739321     -0.832499      6.226352
  H      -0.877936      1.602272      6.087142
  H      -0.989292      0.417338      7.415445
  H      -1.628553      5.048131      6.967099
  H      -0.891078      3.760098      6.008550
  H      -2.753303      3.550411      8.433607
  H      -1.090693      2.917720      8.313723
  H      -5.400096      1.171224      9.038014
  H      -4.655105      2.774282      8.956262
  H      -3.510383      0.091488      8.011210
  H      -2.819544      1.147357      9.276208
  C      -3.710210     -0.152820      3.766208
  C      -2.731456     -0.306819      2.590871
  C      -2.759000      0.848160      1.608816
  O      -4.074149      0.833262      1.002148
  C      -4.404598      1.532266     -0.103435
  C      -5.616443      1.177792     -0.684027
  C      -6.087460      1.855753     -1.817521
  N      -5.444920      2.843392     -2.425787
  C      -4.247383      3.203071     -1.885777
  C      -3.523504      4.254149     -2.501774
  C      -2.319804      4.656847     -1.971440
  C      -1.842160      4.009274     -0.810071
  N      -2.475585      3.020916     -0.198533
  C      -3.662186      2.598823     -0.716421
  C      -3.018784      5.319537      4.981372
  C      -4.019869      5.435435      3.846657
  C      -3.556631      4.682636      2.607912
  O      -4.682035      4.315899      1.792221
  C      -5.185565      5.177664      0.888277
  C      -4.564918      6.301075      0.373676
  C      -5.219026      7.026908     -0.647261
  N      -6.403037      6.734553     -1.160452
  C      -7.047395      5.655080     -0.627609
  C      -8.335064      5.301441     -1.099161
  C      -8.995386      4.238179     -0.521878
  C      -8.373081      3.529575      0.528439
  N      -7.160990      3.810642      0.987029
  C      -6.495966      4.848498      0.413494
  C      -6.736372      1.887063      6.975546
  C      -7.422706      3.257677      6.874987
  C      -8.866786      3.135475      6.420619
  O      -8.816225      2.492510      5.128164
  C      -9.948671      2.088441      4.532874
  C     -11.239129      2.432363      4.898002
  C     -12.316515      1.939909      4.125233
  N     -12.206368      1.155805      3.065140
  C     -10.940405      0.788400      2.708288
  C     -10.748573     -0.063373      1.592540
  C      -9.471780     -0.452580      1.246274
  C      -8.383173      0.012983      2.014125
  N      -8.516224      0.822931      3.056425
  C      -9.771175      1.216380      3.407714
  H      -3.932801     -1.153819      4.181126
  H      -4.658750      0.247737      3.388647
  H      -1.699475     -0.411296      2.960738
  H      -2.962235     -1.236941      2.048492
  H      -1.993490      0.733253      0.830723
  H      -2.592354      1.814329      2.103275
  H      -6.196720      0.368384     -0.241126
  H      -7.049972      1.564865     -2.249519
  H      -3.957227      4.723441     -3.385968
  H      -1.741984      5.465054     -2.421584
  H      -0.891240      4.320246     -0.364942
  H      -2.004857      5.542851      4.591477
  H      -3.233190      6.104568      5.730124
  H      -4.169400      6.499900      3.613052
  H      -4.991714      5.034233      4.169943
  H      -3.106118      3.721652      2.887263
  H      -2.811515      5.240475      2.021884
  H      -3.578529      6.620179      0.706082
  H      -4.712571      7.900414     -1.070122
  H      -8.770947      5.894645     -1.904087
  H      -9.989905      3.941314     -0.856657
  H      -8.894449      2.697941      1.010336
  H      -7.135449      1.337222      7.845688
  H      -6.995942      1.298045      6.086003
  H      -6.870091      3.872096      6.148198
  H      -7.394815      3.784926      7.840915
  H      -9.351301      4.120440      6.327710
  H      -9.461941      2.511641      7.109393
  H     -11.440799      3.083388      5.747484
  H     -13.334262      2.223072      4.411636
  H     -11.628432     -0.393492      1.037924
  H      -9.289292     -1.108315      0.394431
  H      -7.360546     -0.284759      1.764296
  N      -5.273331      2.511003      4.297958
  N      -6.200785      2.411728      3.419482
  H      -7.010503      1.749502      3.541128
  H      -6.240094      3.046093      2.594144
102
Coordinates from ORCA-job orca E -6484.778924308175
  N      -3.225424      0.701137      4.851469
  Mo     -4.057689      2.349278      5.575813
  N      -5.277415      1.972155      7.083848
  C      -4.728973      1.805906      8.429539
  C      -3.369668      1.137224      8.317737
  N      -2.593616      1.825078      7.256487
  C      -1.566999      0.951436      6.635703
  C      -2.241203     -0.006326      5.676151
  C      -2.018762      3.101300      7.744031
  C      -1.801845      4.031695      6.569454
  N      -2.975370      4.029871      5.684342
  H      -1.467800     -0.480859      5.048125
  H      -2.739827     -0.831799      6.222745
  H      -0.878545      1.602724      6.079508
  H      -0.987583      0.418075      7.408321
  H      -1.626714      5.049026      6.960688
  H      -0.890591      3.760605      6.001513
  H      -2.749521      3.551491      8.429169
  H      -1.087135      2.918517      8.306954
  H      -5.396061      1.173287      9.038076
  H      -4.650326      2.775999      8.956288
  H      -3.509046      0.093119      8.007168
  H      -2.815605      1.147598      9.271885
  C      -3.720444     -0.153442      3.767598
  C      -2.747672     -0.314722      2.588634
  C      -2.766511      0.842431      1.609165
  O      -4.084276      0.845394      1.007807
  C      -4.405832      1.544588     -0.100446
  C      -5.619165      1.200060     -0.683939
  C      -6.080145      1.879561     -1.820570
  N      -5.426777      2.859870     -2.429029
  C      -4.228619      3.211194     -1.884974
  C      -3.495492      4.257267     -2.498414
  C      -2.292070      4.653358     -1.962377
  C      -1.824128      4.003982     -0.798046
  N      -2.466541      3.020090     -0.188738
  C      -3.653003      2.604578     -0.712142
  C      -3.021717      5.320981      4.978802
  C      -4.023236      5.436388      3.844310
  C      -3.559345      4.684329      2.605371
  O      -4.684210      4.316159      1.789257
  C      -5.188995      5.176444      0.884437
  C      -4.568302      6.298383      0.366436
  C      -5.223208      7.022128     -0.655535
  N      -6.407875      6.728913     -1.166780
  C      -7.052353      5.651342     -0.630229
  C      -8.340844      5.297210     -1.099427
  C      -9.001958      4.236985     -0.517544
  C      -8.379445      3.531529      0.534812
  N      -7.166335      3.812469      0.990518
  C      -6.500473      4.847314      0.412535
  C      -6.735920      1.890568      6.978112
  C      -7.422949      3.260314      6.873027
  C      -8.867543      3.135146      6.421104
  O      -8.817706      2.491799      5.128719
  C      -9.949795      2.083699      4.535499
  C     -11.240808      2.424261      4.902064
  C     -12.317900      1.927873      4.131413
  N     -12.206999      1.142781      3.072171
  C     -10.940478      0.778723      2.713889
  C     -10.747783     -0.073612      1.598736
  C      -9.470410     -0.459263      1.250814
  C      -8.381956      0.010665      2.016175
  N      -8.515904      0.821575      3.057617
  C      -9.771446      1.211158      3.410870
  H      -3.944953     -1.152585      4.186026
  H      -4.668871      0.249793      3.392676
  H      -1.715282     -0.430512      2.954197
  H      -2.990243     -1.241626      2.045727
  H      -2.005620      0.719737      0.827660
  H      -2.586066      1.805561      2.104689
  H      -6.208238      0.397082     -0.241103
  H      -7.043582      1.595937     -2.255379
  H      -3.921988      4.728271     -3.385244
  H      -1.707106      5.457503     -2.410564
  H      -0.873698      4.309776     -0.348325
  H      -2.008437      5.547198      4.589111
  H      -3.237783      6.104457      5.728685
  H      -4.173590      6.500821      3.611047
  H      -4.994530      5.034348      4.167844
  H      -3.108058      3.723596      2.884610
  H      -2.814504      5.242552      2.019568
  H      -3.581256      6.617385      0.696947
  H      -4.716779      7.894299     -1.081250
  H      -8.777008      5.888273     -1.905754
  H      -9.997212      3.940167     -0.850155
  H      -8.901757      2.702948      1.020948
  H      -7.133961      1.344311      7.850959
  H      -6.996741      1.297909      6.091300
  H      -6.871731      3.872193      6.143098
  H      -7.393992      3.791433      7.836799
  H      -9.354531      4.118929      6.329111
  H      -9.460082      2.509904      7.110894
  H     -11.443110      3.075506      5.751267
  H     -13.336011      2.208617      4.418940
  H     -11.627504     -0.407143      1.045946
  H      -9.287338     -1.115278      0.399304
  H      -7.358846     -0.284453      1.765407
  N      -5.276175      2.512821      4.298295
  N      -6.205256      2.415592      3.421684
  H      -7.013717      1.751237      3.542008
  H      -6.244169      3.049140      2.595716
102
Coordinates from ORCA-job orca E -6484.778929105520
  N      -3.229063      0.701447      4.851171
  Mo     -4.056894      2.351942      5.574789
  N      -5.276994      1.977707      7.083186
  C      -4.728186      1.810236      8.428621
  C      -3.370040      1.139062      8.316138
  N      -2.593058      1.825402      7.254587
  C      -1.568261      0.949914      6.633343
  C      -2.244479     -0.007034      5.674287
  C      -2.015679      3.100576      7.741716
  C      -1.797458      4.030275      6.566803
  N      -2.971599      4.030736      5.682400
  H      -1.472257     -0.482162      5.045162
  H      -2.743158     -0.832154      6.221415
  H      -0.878948      1.599978      6.076785
  H      -0.989350      0.415635      7.405694
  H      -1.619857      5.047278      6.957712
  H      -0.887161      3.757053      5.998388
  H      -2.745456      3.552291      8.426900
  H      -1.084226      2.916222      8.304434
  H      -5.395875      1.178467      9.037366
  H      -4.647692      2.780003      8.955644
  H      -3.511521      0.095215      8.005639
  H      -2.815569      1.148351      9.270082
  C      -3.730585     -0.153990      3.770900
  C      -2.762823     -0.321375      2.588779
  C      -2.777656      0.835554      1.609069
  O      -4.095893      0.844172      1.008262
  C      -4.413431      1.544355     -0.100751
  C      -5.627173      1.204562     -0.686156
  C      -6.084110      1.886351     -1.822927
  N      -5.426871      2.865147     -2.429570
  C      -4.228729      3.212608     -1.883277
  C      -3.492717      4.258672     -2.493346
  C      -2.289518      4.651266     -1.954439
  C      -1.824345      3.998135     -0.791035
  N      -2.469835      3.014548     -0.184555
  C      -3.656564      2.602670     -0.710408
  C      -3.018351      5.323122      4.979363
  C      -4.020471      5.440407      3.845505
  C      -3.556826      4.690409      2.605215
  O      -4.681859      4.322972      1.788933
  C      -5.186683      5.182850      0.883773
  C      -4.566971      6.305966      0.366923
  C      -5.221557      7.029062     -0.655703
  N      -6.404959      6.734022     -1.168890
  C      -7.048723      5.655631     -0.633140
  C      -8.336125      5.299613     -1.104058
  C      -8.997029      4.238997     -0.522700
  C      -8.375139      3.534529      0.530673
  N      -7.162849      3.816859      0.987465
  C      -6.497272      4.852338      0.410359
  C      -6.735477      1.895026      6.977343
  C      -7.423818      3.263915      6.870730
  C      -8.868528      3.136491      6.419520
  O      -8.818067      2.494169      5.126659
  C      -9.948881      2.080031      4.535320
  C     -11.241148      2.414946      4.902989
  C     -12.316844      1.912250      4.134607
  N     -12.203614      1.125608      3.076729
  C     -10.935890      0.766875      2.717538
  C     -10.740764     -0.087405      1.604316
  C      -9.462098     -0.467918      1.255497
  C      -8.374805      0.009422      2.017845
  N      -8.511139      0.822457      3.057253
  C      -9.767911      1.206626      3.411833
  H      -3.956646     -1.151495      4.192414
  H      -4.679056      0.251312      3.398292
  H      -1.729860     -0.443453      2.950787
  H      -3.013092     -1.246977      2.047141
  H      -2.017840      0.709577      0.827026
  H      -2.593279      1.798104      2.104258
  H      -6.219828      0.403537     -0.244767
  H      -7.047931      1.606161     -2.259145
  H      -3.916996      4.732405     -3.379775
  H      -1.702338      5.455329     -2.399913
  H      -0.873803      4.300806     -0.339456
  H      -2.005364      5.549843      4.589279
  H      -3.233808      6.105336      5.730737
  H      -4.171039      6.505224      3.614031
  H      -4.991570      5.037792      4.168679
  H      -3.104668      3.729341      2.882310
  H      -2.812679      5.250531      2.020343
  H      -3.581090      6.626714      0.699267
  H      -4.716005      7.902321     -1.080197
  H      -8.771927      5.889556     -1.911353
  H      -9.991508      3.941042     -0.856601
  H      -8.897231      2.705725      1.016640
  H      -7.133401      1.349289      7.850580
  H      -6.995809      1.301589      6.090866
  H      -6.873761      3.875127      6.139362
  H      -7.394656      3.796713      7.833564
  H      -9.357139      4.119599      6.328808
  H      -9.459878      2.509493      7.108748
  H     -11.445580      3.066447      5.751524
  H     -13.335864      2.188931      4.422769
  H     -11.619708     -0.426757      1.053839
  H      -9.277227     -1.125612      0.405662
  H      -7.350712     -0.281366      1.766384
  N      -5.275523      2.517735      4.297695
  N      -6.204608      2.422590      3.421107
  H      -7.011748      1.755868      3.538904
  H      -6.242017      3.055942      2.594889
102
Coordinates from ORCA-job orca E -6484.778931516084
  N      -3.238498      0.705655      4.846483
  Mo     -4.061013      2.357646      5.572938
  N      -5.276765      1.985159      7.085103
  C      -4.723080      1.815049      8.428291
  C      -3.365918      1.142697      8.310220
  N      -2.591818      1.829381      7.246780
  C      -1.569909      0.953603      6.621179
  C      -2.250352     -0.003129      5.664836
  C      -2.011992      3.103810      7.732766
  C      -1.796334      4.033669      6.557360
  N      -2.972702      4.034668      5.675823
  H      -1.480848     -0.478281      5.032359
  H      -2.746536     -0.828362      6.214178
  H      -0.882734      1.603689      6.062014
  H      -0.987931      0.418886      7.390912
  H      -1.617095      5.050473      6.947902
  H      -0.887630      3.759892      5.986664
  H      -2.739640      3.555856      8.419990
  H      -1.079200      2.918524      8.293008
  H      -5.389046      1.183144      9.038715
  H      -4.639690      2.784014      8.956276
  H      -3.509685      0.099372      7.998997
  H      -2.808154      1.150126      9.262275
  C      -3.751976     -0.152058      3.773581
  C      -2.792169     -0.333926      2.587601
  C      -2.789918      0.825097      1.610678
  O      -4.109380      0.859673      1.013577
  C      -4.410427      1.559055     -0.100815
  C      -5.623440      1.231858     -0.694386
  C      -6.064055      1.916013     -1.836187
  N      -5.391237      2.885645     -2.440319
  C      -4.194151      3.222046     -1.885096
  C      -3.443830      4.260858     -2.489992
  C      -2.242180      4.643774     -1.940817
  C      -1.792806      3.987938     -0.772758
  N      -2.452033      3.010662     -0.170926
  C      -3.637796      2.608498     -0.706461
  C      -3.021552      5.327438      4.973418
  C      -4.023816      5.443907      3.839405
  C      -3.561609      4.691030      2.600435
  O      -4.687923      4.324568      1.785197
  C      -5.189750      5.181093      0.875327
  C      -4.565685      6.298815      0.352080
  C      -5.217876      7.019320     -0.673796
  N      -6.402829      6.726462     -1.184669
  C      -7.051012      5.654110     -0.642338
  C      -8.340803      5.301863     -1.109621
  C      -9.007283      4.249114     -0.520383
  C      -8.388232      3.547982      0.536938
  N      -7.173437      3.826024      0.989717
  C      -6.502501      4.853963      0.405181
  C      -6.735394      1.897953      6.982666
  C      -7.428031      3.264277      6.873672
  C      -8.873833      3.130429      6.427881
  O      -8.824906      2.493191      5.132327
  C      -9.954775      2.066277      4.548459
  C     -11.248244      2.385206      4.925995
  C     -12.323389      1.871881      4.163956
  N     -12.208616      1.089554      3.103048
  C     -10.939422      0.746432      2.733954
  C     -10.742379     -0.102021      1.616639
  C      -9.461970     -0.466909      1.257635
  C      -8.374920      0.020161      2.014084
  N      -8.513303      0.828351      3.056991
  C      -9.771745      1.197462      3.421600
  H      -3.983243     -1.145646      4.201635
  H      -4.699396      0.258071      3.403695
  H      -1.759934     -0.475024      2.944848
  H      -3.061036     -1.254129      2.045738
  H      -2.035112      0.687186      0.825694
  H      -2.586810      1.783080      2.107161
  H      -6.228961      0.439387     -0.255033
  H      -7.027599      1.645409     -2.278897
  H      -3.856415      4.737474     -3.380352
  H      -1.644388      5.442585     -2.381666
  H      -0.843620      4.282635     -0.313155
  H      -2.008956      5.555590      4.583216
  H      -3.238110      6.109169      5.724985
  H      -4.172682      6.508549      3.605935
  H      -4.995489      5.043634      4.163849
  H      -3.111000      3.729346      2.878360
  H      -2.816529      5.249054      2.014565
  H      -3.578335      6.617184      0.682403
  H      -4.708994      7.888189     -1.103203
  H      -8.774105      5.888882     -1.920370
  H     -10.003853      3.954791     -0.851293
  H      -8.914685      2.725797      1.029537
  H      -7.129737      1.353885      7.858518
  H      -6.996354      1.301087      6.098472
  H      -6.882823      3.874468      6.137946
  H      -7.396910      3.800666      7.834468
  H      -9.368779      4.110867      6.342552
  H      -9.458652      2.497547      7.117321
  H     -11.454439      3.032826      5.777106
  H     -13.343498      2.135926      4.460080
  H     -11.621281     -0.449540      1.071197
  H      -9.275474     -1.119684      0.404371
  H      -7.349340     -0.258608      1.755097
  N      -5.283305      2.526383      4.299831
  N      -6.215750      2.436302      3.426878
  H      -7.019747      1.764812      3.541450
  H      -6.249474      3.065945      2.597915
102
Coordinates from ORCA-job orca E -6484.778937444227
  N      -3.233456      0.702861      4.851002
  Mo     -4.057016      2.355158      5.575237
  N      -5.276298      1.981281      7.084386
  C      -4.726077      1.812734      8.429208
  C      -3.368801      1.139861      8.315116
  N      -2.592160      1.825819      7.253026
  C      -1.569206      0.949639      6.629826
  C      -2.247761     -0.006574      5.671721
  C      -2.012568      3.099901      7.740289
  C      -1.794031      4.029978      6.565697
  N      -2.968932      4.032470      5.682277
  H      -1.476921     -0.481840      5.041026
  H      -2.745765     -0.831689      6.219494
  H      -0.880326      1.599375      6.072368
  H      -0.989345      0.414611      7.400952
  H      -1.614860      5.046491      6.957182
  H      -0.884495      3.756033      5.996421
  H      -2.741175      3.552222      8.426319
  H      -1.080855      2.914056      8.302106
  H      -5.393669      1.181652      9.038729
  H      -4.643635      2.782302      8.956232
  H      -3.511985      0.096297      8.004486
  H      -2.813192      1.148219      9.268399
  C      -3.740712     -0.153185      3.773871
  C      -2.777015     -0.327424      2.589283
  C      -2.786050      0.829445      1.609438
  O      -4.105597      0.845582      1.010930
  C      -4.420697      1.545063     -0.099305
  C      -5.632792      1.204469     -0.687556
  C      -6.088168      1.886530     -1.824804
  N      -5.430943      2.866657     -2.429190
  C      -4.233915      3.214411     -1.880658
  C      -3.497113      4.260768     -2.489370
  C      -2.294587      4.652875     -1.948750
  C      -1.830481      3.998731     -0.785439
  N      -2.476704      3.014908     -0.180248
  C      -3.663198      2.603729     -0.707402
  C      -3.014585      5.325085      4.979798
  C      -4.016348      5.443404      3.845735
  C      -3.554192      4.692662      2.605367
  O      -4.680520      4.327182      1.790137
  C      -5.184603      5.187737      0.885427
  C      -4.566346      6.313265      0.372118
  C      -5.220446      7.036931     -0.650415
  N      -6.401941      6.740059     -1.167112
  C      -7.044198      5.658940     -0.635099
  C      -8.329114      5.299658     -1.110303
  C      -8.988235      4.235550     -0.533351
  C      -8.367326      3.531139      0.520642
  N      -7.157407      3.816736      0.981483
  C      -6.493344      4.855288      0.408456
  C      -6.734822      1.897147      6.979170
  C      -7.424089      3.265464      6.870735
  C      -8.868586      3.137205      6.418537
  O      -8.816973      2.494819      5.125868
  C      -9.946853      2.077861      4.534818
  C     -11.239873      2.410979      4.901538
  C     -12.314329      1.905361      4.133491
  N     -12.199425      1.117274      3.076888
  C     -10.931026      0.760389      2.718503
  C     -10.734123     -0.095491      1.606798
  C      -9.454658     -0.474106      1.258781
  C      -8.368421      0.006905      2.020281
  N      -8.506513      0.821309      3.058337
  C      -9.764019      1.203439      3.412356
  H      -3.969184     -1.148907      4.198368
  H      -4.688784      0.254331      3.402635
  H      -1.743936     -0.457339      2.948246
  H      -3.035925     -1.251270      2.048728
  H      -2.028636      0.698520      0.825834
  H      -2.594791      1.790751      2.104174
  H      -6.226093      0.402964     -0.247942
  H      -7.050869      1.605548     -2.262961
  H      -3.920268      4.734850     -3.376131
  H      -1.706962      5.457389     -2.392835
  H      -0.880157      4.300708     -0.332931
  H      -2.001312      5.550741      4.589727
  H      -3.229315      6.107457      5.731222
  H      -4.165276      6.508417      3.614120
  H      -4.988160      5.042439      4.168793
  H      -3.102710      3.731028      2.881368
  H      -2.810114      5.252732      2.020239
  H      -3.582092      6.635926      0.707508
  H      -4.716209      7.912474     -1.071732
  H      -8.764719      5.889214     -1.917948
  H      -9.980516      3.934846     -0.871315
  H      -8.887973      2.699558      1.003396
  H      -7.131975      1.352352      7.853291
  H      -6.995151      1.302358      6.093520
  H      -6.874155      3.876048      6.138818
  H      -7.395794      3.799283      7.833019
  H      -9.357130      4.120317      6.327338
  H      -9.460538      2.510259      7.107292
  H     -11.445931      3.063717      5.748730
  H     -13.333964      2.180851      4.420490
  H     -11.612319     -0.437595      1.056837
  H      -9.268506     -1.133262      0.410354
  H      -7.343755     -0.282432      1.769561
  N      -5.276581      2.523140      4.299251
  N      -6.206597      2.429623      3.423659
  H      -7.011243      1.759578      3.539839
  H      -6.241558      3.060485      2.595562
102
Coordinates from ORCA-job orca E -6484.778939147395
  N      -3.230826      0.704300      4.851858
  Mo     -4.056416      2.355272      5.577043
  N      -5.275940      1.977521      7.085074
  C      -4.726438      1.808764      8.430132
  C      -3.368275      1.137673      8.316392
  N      -2.592020      1.825714      7.255354
  C      -1.567714      0.951447      6.631869
  C      -2.244725     -0.004654      5.672588
  C      -2.014340      3.100016      7.744348
  C      -1.796040      4.031603      6.570968
  N      -2.970152      4.033702      5.686521
  H      -1.472952     -0.478421      5.041953
  H      -2.742092     -0.830851      6.219304
  H      -0.879278      1.602494      6.075377
  H      -0.987616      0.416343      7.402782
  H      -1.618513      5.047927      6.963761
  H      -0.885676      3.759561      6.002087
  H      -2.743986      3.550777      8.430301
  H      -1.082825      2.914732      8.306670
  H      -5.393755      1.176572      9.038810
  H      -4.645347      2.778085      8.957833
  H      -3.509809      0.094179      8.004809
  H      -2.813261      1.146082      9.270012
  C      -3.735548     -0.151632      3.773447
  C      -2.770320     -0.323100      2.589575
  C      -2.783850      0.832719      1.608444
  O      -4.103135      0.841693      1.009470
  C      -4.421633      1.538386     -0.101409
  C      -5.632817      1.192170     -0.688238
  C      -6.092956      1.872535     -1.824586
  N      -5.440974      2.855845     -2.429451
  C      -4.244119      3.208024     -1.883164
  C      -3.512168      4.256962     -2.493284
  C      -2.309632      4.652881     -1.955386
  C      -1.840981      4.000363     -0.793013
  N      -2.482741      3.014510     -0.186295
  C      -3.668891      2.599444     -0.711075
  C      -3.014977      5.326100      4.983601
  C      -4.015973      5.444344      3.848998
  C      -3.553573      4.693052      2.609019
  O      -4.679743      4.327564      1.793645
  C      -5.182968      5.187976      0.888409
  C      -4.564761      6.314030      0.376236
  C      -5.218215      7.037809     -0.646657
  N      -6.399146      6.740777     -1.164513
  C      -7.041214      5.658771     -0.634025
  C      -8.325302      5.298932     -1.110914
  C      -8.983617      4.233054     -0.536336
  C      -8.362924      3.527760      0.517188
  N      -7.154127      3.814464      0.980342
  C      -6.490744      4.854582      0.409344
  C      -6.734283      1.892867      6.979161
  C      -7.423847      3.261368      6.874382
  C      -8.868032      3.134507      6.420959
  O      -8.815743      2.493800      5.127512
  C      -9.945701      2.081444      4.533375
  C     -11.238363      2.418586      4.897548
  C     -12.312798      1.917850      4.126187
  N     -12.198118      1.130817      3.068739
  C     -10.930096      0.769867      2.712994
  C     -10.733480     -0.085337      1.600718
  C      -9.454537     -0.468331      1.255591
  C      -8.368486      0.007605      2.020583
  N      -8.506218      0.821354      3.059212
  C      -9.763242      1.207800      3.410292
  H      -3.962498     -1.148106      4.197011
  H      -4.684009      0.254416      3.401638
  H      -1.737016     -0.448737      2.949294
  H      -3.025283     -1.248372      2.049581
  H      -2.025631      0.704289      0.825184
  H      -2.597170      1.795529      2.102111
  H      -6.221904      0.387930     -0.247938
  H      -7.054998      1.587423     -2.261487
  H      -3.938781      4.729547     -3.379195
  H      -1.725443      5.459085     -2.400901
  H      -0.890488      4.305383     -0.342843
  H      -2.001341      5.551431      4.594228
  H      -3.230031      6.108777      5.734613
  H      -4.164439      6.509300      3.616907
  H      -4.988128      5.043761      4.171609
  H      -3.102458      3.731493      2.885704
  H      -2.809238      5.252688      2.023826
  H      -3.581034      6.637159      0.712701
  H      -4.713949      7.913817     -1.067020
  H      -8.760899      5.889184     -1.918083
  H      -9.975069      3.931525     -0.875956
  H      -8.882511      2.694055      0.997252
  H      -7.131491      1.345431      7.851608
  H      -6.994019      1.300429      6.091794
  H      -6.873512      3.874241      6.144632
  H      -7.396241      3.792326      7.838257
  H      -9.355681      4.118151      6.330587
  H      -9.461001      2.507187      7.108459
  H     -11.444043      3.070881      5.745173
  H     -13.332124      2.196571      4.411127
  H     -11.611501     -0.423428      1.047997
  H      -9.268690     -1.127127      0.406825
  H      -7.344226     -0.285057      1.772067
  N      -5.275448      2.522897      4.300412
  N      -6.204918      2.428530      3.424162
  H      -7.009728      1.758784      3.540479
  H      -6.239085      3.058261      2.595120
102
Coordinates from ORCA-job orca E -6484.778939925303
  N      -3.231517      0.703691      4.852308
  Mo     -4.056015      2.355613      5.576774
  N      -5.275719      1.978004      7.084658
  C      -4.726349      1.809378      8.429768
  C      -3.368432      1.137796      8.316256
  N      -2.591924      1.825551      7.255225
  C      -1.567928      0.950953      6.631820
  C      -2.245292     -0.005235      5.672895
  C      -2.013804      3.099626      7.744277
  C      -1.795181      4.031243      6.571012
  N      -2.969223      4.033829      5.686485
  H      -1.473630     -0.479092      5.042188
  H      -2.742557     -0.831387      6.219780
  H      -0.879435      1.601735      6.075089
  H      -0.987786      0.415903      7.402750
  H      -1.617454      5.047454      6.964009
  H      -0.884821      3.759139      6.002180
  H      -2.743277      3.550636      8.430233
  H      -1.082360      2.913992      8.306605
  H      -5.393923      1.177613      9.038592
  H      -4.644858      2.778808      8.957203
  H      -3.510268      0.094326      8.004768
  H      -2.813480      1.146169      9.269907
  C      -3.736218     -0.152455      3.774071
  C      -2.771012     -0.323925      2.590214
  C      -2.784586      0.832157      1.609374
  O      -4.103796      0.840632      1.010242
  C      -4.422432      1.536938     -0.100801
  C      -5.632611      1.188966     -0.688629
  C      -6.093465      1.869666     -1.824526
  N      -5.442838      2.854629     -2.428159
  C      -4.246412      3.207792     -1.881489
  C      -3.515323      4.257639     -2.491072
  C      -2.313040      4.654166     -1.953058
  C      -1.843784      4.001359     -0.791113
  N      -2.484766      3.014720     -0.184808
  C      -3.670661      2.599104     -0.709730
  C      -3.013308      5.326157      4.983422
  C      -4.014311      5.445002      3.848923
  C      -3.552765      4.693801      2.608532
  O      -4.679666      4.328941      1.793920
  C      -5.183053      5.189448      0.888938
  C      -4.565502      6.316159      0.377444
  C      -5.219234      7.039967     -0.645235
  N      -6.399848      6.742442     -1.163492
  C      -7.041250      5.659634     -0.633830
  C      -8.324912      5.299146     -1.111252
  C      -8.982330      4.232042     -0.537866
  C      -8.361121      3.526207      0.514984
  N      -7.152883      3.813891      0.979068
  C      -6.490406      4.855202      0.409175
  C      -6.734040      1.893456      6.978787
  C      -7.423620      3.261975      6.873920
  C      -8.867639      3.135167      6.420012
  O      -8.815053      2.493728      5.126963
  C      -9.944989      2.081585      4.532678
  C     -11.237576      2.419076      4.896719
  C     -12.312087      1.918422      4.125409
  N     -12.197495      1.131188      3.068076
  C     -10.929509      0.769948      2.712438
  C     -10.733005     -0.085482      1.600314
  C      -9.454098     -0.468650      1.255207
  C      -8.367966      0.007345      2.020065
  N      -8.505577      0.821198      3.058643
  C      -9.762596      1.207762      3.409721
  H      -3.962923     -1.148876      4.197869
  H      -4.684793      0.253275      3.402177
  H      -1.737780     -0.450234      2.949868
  H      -3.026450     -1.248886      2.049913
  H      -2.026279      0.704235      0.826137
  H      -2.598454      1.794961      2.103287
  H      -6.220620      0.383380     -0.249286
  H      -7.054926      1.583463     -2.262030
  H      -3.942391      4.730376     -3.376686
  H      -1.729495      5.461070     -2.398148
  H      -0.893401      4.306825     -0.341022
  H      -1.999545      5.550963      4.594083
  H      -3.227982      6.108990      5.734373
  H      -4.162304      6.510077      3.617049
  H      -4.986678      5.044874      4.171593
  H      -3.101700      3.732077      2.884682
  H      -2.808733      5.253427      2.022943
  H      -3.582041      6.639827      0.714167
  H      -4.715450      7.916508     -1.065063
  H      -8.761009      5.889742     -1.917919
  H      -9.973417      3.929925     -0.878038
  H      -8.879718      2.691074      0.993621
  H      -7.131140      1.346190      7.851380
  H      -6.993827      1.300850      6.091566
  H      -6.873101      3.875002      6.144405
  H      -7.396392      3.792775      7.837893
  H      -9.354864      4.118956      6.328836
  H      -9.461125      2.508498      7.107652
  H     -11.443150      3.071408      5.744341
  H     -13.331407      2.197339      4.410267
  H     -11.611066     -0.423533      1.047635
  H      -9.268368     -1.127594      0.406532
  H      -7.343710     -0.285234      1.771344
  N      -5.274898      2.523369      4.299952
  N      -6.204338      2.428972      3.423561
  H      -7.009113      1.759268      3.539960
  H      -6.237411      3.057473      2.593529
102
Coordinates from ORCA-job orca E -6484.778941495035
  N      -3.232579      0.702532      4.852794
  Mo     -4.055405      2.355834      5.576309
  N      -5.275005      1.978744      7.084276
  C      -4.725525      1.810201      8.429312
  C      -3.367881      1.138122      8.315744
  N      -2.591262      1.825529      7.254561
  C      -1.567745      0.950503      6.631086
  C      -2.245677     -0.006026      5.672871
  C      -2.012597      3.099416      7.743440
  C      -1.793992      4.031003      6.570155
  N      -2.968176      4.033901      5.685832
  H      -1.474235     -0.479790      5.041808
  H      -2.742335     -0.832260      6.220190
  H      -0.879374      1.600940      6.073793
  H      -0.987289      0.415681      7.401954
  H      -1.616003      5.047140      6.963214
  H      -0.883759      3.758828      6.001170
  H      -2.741750      3.550741      8.429519
  H      -1.081106      2.913480      8.305597
  H      -5.393273      1.178869      9.038374
  H      -4.643521      2.779708      8.956526
  H      -3.510103      0.094694      8.004345
  H      -2.812831      1.146396      9.269336
  C      -3.738100     -0.154175      3.775389
  C      -2.774035     -0.325931      2.590730
  C      -2.786717      0.831231      1.611106
  O      -4.106220      0.841709      1.012547
  C      -4.423494      1.537024     -0.099529
  C      -5.632462      1.188096     -0.689166
  C      -6.092385      1.868949     -1.825433
  N      -5.441650      2.854585     -2.427851
  C      -4.245874      3.208011     -1.879906
  C      -3.514234      4.257902     -2.488750
  C      -2.312455      4.654412     -1.949572
  C      -1.844358      4.001621     -0.787169
  N      -2.485945      3.015024     -0.181406
  C      -3.671263      2.599406     -0.707562
  C      -3.012324      5.326340      4.982992
  C      -4.013744      5.445613      3.848919
  C      -3.553093      4.695208      2.607668
  O      -4.680820      4.330496      1.794145
  C      -5.184529      5.190532      0.889004
  C      -4.567723      6.317629      0.377518
  C      -5.222057      7.041156     -0.644965
  N      -6.402663      6.743180     -1.162904
  C      -7.043307      5.659836     -0.633413
  C      -8.326973      5.298950     -1.110422
  C      -8.983366      4.230887     -0.537559
  C      -8.361051      3.524476      0.514209
  N      -7.152975      3.812918      0.978365
  C      -6.491635      4.855289      0.409073
  C      -6.733343      1.894214      6.978558
  C      -7.423136      3.262633      6.873499
  C      -8.866992      3.135610      6.419185
  O      -8.814037      2.493828      5.126286
  C      -9.943862      2.081788      4.531701
  C     -11.236448      2.419756      4.895247
  C     -12.310873      1.919355      4.123636
  N     -12.196170      1.131941      3.066420
  C     -10.928166      0.770161      2.711342
  C     -10.731568     -0.085563      1.599469
  C      -9.452658     -0.469154      1.254789
  C      -8.366605      0.006759      2.019827
  N      -8.504299      0.820758      3.058293
  C      -9.761349      1.207696      3.408981
  H      -3.964188     -1.150448      4.199854
  H      -4.687155      0.251113      3.404210
  H      -1.740834     -0.454892      2.949451
  H      -3.031773     -1.249688      2.049468
  H      -2.028937      0.703439      0.827372
  H      -2.599538      1.793372      2.105930
  H      -6.220417      0.381879     -0.250852
  H      -7.053152      1.582347     -2.264205
  H      -3.940467      4.730654     -3.374753
  H      -1.728462      5.461329     -2.394053
  H      -0.894407      4.307139     -0.336210
  H      -1.998664      5.551338      4.593522
  H      -3.226942      6.108991      5.734165
  H      -4.161877      6.510814      3.617658
  H      -4.985992      5.045364      4.171883
  H      -3.101318      3.733509      2.882742
  H      -2.809964      5.255450      2.021493
  H      -3.584388      6.641889      0.714041
  H      -4.718799      7.917977     -1.064815
  H      -8.763986      5.889972     -1.916286
  H      -9.974510      3.928530     -0.877365
  H      -8.878531      2.688094      0.991922
  H      -7.130211      1.347183      7.851405
  H      -6.993152      1.301327      6.091539
  H      -6.872596      3.875808      6.144109
  H      -7.396226      3.793434      7.837481
  H      -9.354126      4.119411      6.327512
  H      -9.460767      2.509213      7.106809
  H     -11.442102      3.072132      5.742811
  H     -13.330203      2.198655      4.408094
  H     -11.609573     -0.423453      1.046598
  H      -9.266853     -1.128294      0.406285
  H      -7.342320     -0.285985      1.771314
  N      -5.274408      2.523691      4.299588
  N      -6.204033      2.429837      3.423298
  H      -7.008421      1.759622      3.539204
  H      -6.236342      3.057608      2.592692
102
Coordinates from ORCA-job orca E -6484.778942182728
  N      -3.233573      0.701372      4.852867
  Mo     -4.054891      2.355877      5.575560
  N      -5.274286      1.979652      7.083798
  C      -4.724537      1.811274      8.428738
  C      -3.367183      1.138661      8.315031
  N      -2.590507      1.825552      7.253540
  C      -1.567539      0.949988      6.629971
  C      -2.246144     -0.006875      5.672552
  C      -2.011204      3.099279      7.742044
  C      -1.792805      4.030718      6.568600
  N      -2.967334      4.033813      5.684742
  H      -1.475059     -0.480819      5.041169
  H      -2.742389     -0.832979      6.220438
  H      -0.879308      1.600012      6.072006
  H      -0.986763      0.415423      7.400784
  H      -1.614453      5.046825      6.961560
  H      -0.882821      3.758346      5.999317
  H      -2.739933      3.550931      8.428360
  H      -1.079562      2.913072      8.303867
  H      -5.392400      1.180404      9.038147
  H      -4.642004      2.780899      8.955658
  H      -3.509865      0.095236      8.003852
  H      -2.811945      1.146897      9.268513
  C      -3.740212     -0.155955      3.776482
  C      -2.777378     -0.328648      2.591032
  C      -2.788401      0.829405      1.612474
  O      -4.108254      0.842947      1.014665
  C      -4.423854      1.537807     -0.098211
  C      -5.632119      1.189157     -0.689382
  C      -6.090508      1.870333     -1.826121
  N      -5.438787      2.855867     -2.427625
  C      -4.243548      3.208879     -1.878253
  C      -3.510909      4.258662     -2.486059
  C      -2.309688      4.654798     -1.945335
  C      -1.843201      4.001729     -0.782449
  N      -2.485799      3.015247     -0.177579
  C      -3.670553      2.600024     -0.705257
  C      -3.012013      5.326532      4.982463
  C      -4.014099      5.446260      3.849032
  C      -3.554028      4.696880      2.606954
  O      -4.682256      4.332197      1.794098
  C      -5.186192      5.191722      0.888641
  C      -4.569881      6.318942      0.376843
  C      -5.224540      7.041887     -0.645857
  N      -6.405034      6.743287     -1.163658
  C      -7.045216      5.659805     -0.633856
  C      -8.328820      5.298382     -1.110604
  C      -8.984748      4.230195     -0.537379
  C      -8.361987      3.524166      0.514355
  N      -7.153926      3.813121      0.978299
  C      -6.493143      4.855715      0.408756
  C      -6.732671      1.895249      6.978342
  C      -7.422457      3.263588      6.872353
  C      -8.866297      3.136182      6.418114
  O      -8.813354      2.493591      5.125601
  C      -9.943207      2.081347      4.531209
  C     -11.235766      2.419298      4.894854
  C     -12.310263      1.918609      4.123525
  N     -12.195641      1.130941      3.066489
  C     -10.927646      0.769202      2.711307
  C     -10.731138     -0.086784      1.599629
  C      -9.452237     -0.470258      1.254780
  C      -8.366097      0.006078      2.019429
  N      -8.503699      0.820312      3.057727
  C      -9.760760      1.207070      3.408626
  H      -3.966035     -1.151922      4.201800
  H      -4.689607      0.249200      3.406001
  H      -1.744238     -0.460501      2.948864
  H      -3.037739     -1.251259      2.049036
  H      -2.031275      0.701008      0.828213
  H      -2.599263      1.790744      2.108108
  H      -6.220747      0.382992     -0.251874
  H      -7.050828      1.584076     -2.266093
  H      -3.935922      4.731651     -3.372518
  H      -1.724920      5.461606     -2.388985
  H      -0.893710      4.306920     -0.330296
  H      -1.998602      5.551951      4.592621
  H      -3.226453      6.108795      5.734107
  H      -4.162647      6.511580      3.618568
  H      -4.986058      5.045573      4.172315
  H      -3.101530      3.735211      2.880993
  H      -2.811649      5.257807      2.020498
  H      -3.586698      6.643770      0.713259
  H      -4.721628      7.918764     -1.066006
  H      -8.766180      5.889158     -1.916461
  H      -9.975913      3.927528     -0.876859
  H      -8.879047      2.687592      0.992225
  H      -7.129408      1.348970      7.851715
  H      -6.992640      1.301661      6.091843
  H      -6.871934      3.876366      6.142626
  H      -7.395606      3.794986      7.836010
  H      -9.353518      4.119873      6.325749
  H      -9.460024      2.510223      7.106175
  H     -11.441337      3.071791      5.742349
  H     -13.329578      2.197862      4.408099
  H     -11.609212     -0.424970      1.047047
  H      -9.266482     -1.129580      0.406408
  H      -7.341810     -0.286498      1.770715
  N      -5.274200      2.523799      4.299127
  N      -6.204148      2.430546      3.423171
  H      -7.008152      1.759789      3.538687
  H      -6.236440      3.058315      2.592600
102
Coordinates from ORCA-job orca E -6484.778943466519
  N      -3.233638      0.700415      4.853065
  Mo     -4.054453      2.355432      5.575203
  N      -5.273689      1.979595      7.083593
  C      -4.723878      1.811773      8.428570
  C      -3.366549      1.139097      8.315014
  N      -2.589932      1.825608      7.253213
  C      -1.567166      0.949711      6.629751
  C      -2.245973     -0.007473      5.672778
  C      -2.010380      3.099373      7.741282
  C      -1.792268      4.030531      6.567549
  N      -2.967120      4.033487      5.684102
  H      -1.474990     -0.481552      5.041360
  H      -2.742007     -0.833463      6.221025
  H      -0.878966      1.599468      6.071421
  H      -0.986277      0.415382      7.400644
  H      -1.613666      5.046714      6.960187
  H      -0.882503      3.757925      5.998025
  H      -2.738878      3.551262      8.427696
  H      -1.078620      2.913181      8.302920
  H      -5.391783      1.181208      9.038250
  H      -4.641287      2.781607      8.955105
  H      -3.509276      0.095571      8.004192
  H      -2.811224      1.147620      9.268441
  C      -3.740410     -0.157194      3.776996
  C      -2.778060     -0.329701      2.591176
  C      -2.788511      0.829044      1.613426
  O      -4.108718      0.844271      1.016399
  C      -4.423630      1.538437     -0.097131
  C      -5.631600      1.189719     -0.688797
  C      -6.089247      1.870535     -1.826069
  N      -5.437035      2.855708     -2.427623
  C      -4.242116      3.208846     -1.877670
  C      -3.509081      4.258454     -2.485292
  C      -2.308250      4.654804     -1.943840
  C      -1.842576      4.002148     -0.780389
  N      -2.485579      3.015846     -0.175651
  C      -3.669909      2.600409     -0.704074
  C      -3.012528      5.326376      4.982183
  C      -4.015211      5.446082      3.849268
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  O      -4.683410      4.332606      1.793992
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  C      -4.571436      6.319314      0.376632
  C      -5.226234      7.042098     -0.646109
  N      -6.406606      6.743176     -1.163974
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  C      -8.985776      4.229560     -0.537620
  C      -8.362838      3.523642      0.514050
  N      -7.154739      3.812701      0.977873
  C      -6.494235      4.855489      0.408331
  C      -6.732101      1.895226      6.978196
  C      -7.421872      3.263548      6.871965
  C      -8.865802      3.136019      6.418057
  O      -8.813096      2.492911      5.125782
  C      -9.943080      2.081336      4.531174
  C     -11.235559      2.419645      4.894769
  C     -12.310128      1.919566      4.123128
  N     -12.195673      1.132146      3.065893
  C     -10.927763      0.770023      2.710783
  C     -10.731425     -0.085750      1.598917
  C      -9.452613     -0.469559      1.254106
  C      -8.366400      0.006284      2.018958
  N      -8.503827      0.820325      3.057426
  C      -9.760813      1.207338      3.408345
  H      -3.965796     -1.153209      4.202442
  H      -4.690123      0.247661      3.406991
  H      -1.744938     -0.462743      2.948629
  H      -3.039376     -1.251668      2.048535
  H      -2.031888      0.700581      0.828687
  H      -2.598215      1.789829      2.109710
  H      -6.220458      0.383744     -0.251270
  H      -7.049367      1.584289     -2.266462
  H      -3.933450      4.731177     -3.372194
  H      -1.723183      5.461475     -2.387338
  H      -0.893452      4.307519     -0.327584
  H      -1.999389      5.552232      4.591898
  H      -3.226881      6.108373      5.734146
  H      -4.164436      6.511424      3.619328
  H      -4.986795      5.044736      4.172814
  H      -3.101981      3.735948      2.880136
  H      -2.813270      5.259085      2.020254
  H      -3.588461      6.644563      0.713236
  H      -4.723543      7.919137     -1.066169
  H      -8.767452      5.888573     -1.916809
  H      -9.976957      3.926758     -0.876942
  H      -8.879761      2.687039      0.992023
  H      -7.128825      1.349098      7.851675
  H      -6.992056      1.301496      6.091789
  H      -6.871422      3.876132      6.142033
  H      -7.394841      3.795218      7.835472
  H      -9.353099      4.119635      6.325300
  H      -9.459366      2.510355      7.106526
  H     -11.441006      3.071942      5.742441
  H     -13.329357      2.199132      4.407672
  H     -11.609570     -0.423518      1.046189
  H      -9.266919     -1.128730      0.405604
  H      -7.342182     -0.286527      1.770246
  N      -5.273964      2.523154      4.298938
  N      -6.204093      2.430338      3.423205
  H      -7.007977      1.759422      3.538478
  H      -6.236614      3.058438      2.592937
102
Coordinates from ORCA-job orca E -6484.778944027762
  N      -3.233685      0.699009      4.853326
  Mo     -4.053748      2.354691      5.574741
  N      -5.272688      1.979582      7.083457
  C      -4.722673      1.812641      8.428468
  C      -3.365417      1.139779      8.315087
  N      -2.588885      1.825604      7.252736
  C      -1.566536      0.949119      6.629343
  C      -2.245798     -0.008471      5.673104
  C      -2.008762      3.099366      7.740095
  C      -1.791211      4.030073      6.565871
  N      -2.966844      4.032969      5.683418
  H      -1.475131     -0.482968      5.041610
  H      -2.741709     -0.834113      6.221975
  H      -0.878414      1.598436      6.070387
  H      -0.985459      0.415107      7.400310
  H      -1.611965      5.046357      6.957939
  H      -0.881994      3.756899      5.995743
  H      -2.736764      3.551606      8.426820
  H      -1.076725      2.913100      8.301241
  H      -5.390604      1.182573      9.038648
  H      -4.639944      2.782829      8.954346
  H      -3.508295      0.096078      8.004897
  H      -2.809905      1.148765      9.268400
  C      -3.740880     -0.159054      3.777851
  C      -2.779401     -0.331425      2.591367
  C      -2.789019      0.828259      1.614742
  O      -4.109813      0.846250      1.019137
  C      -4.423636      1.539243     -0.095453
  C      -5.631222      1.190444     -0.687797
  C      -6.087690      1.870526     -1.825983
  N      -5.434745      2.855097     -2.427705
  C      -4.240413      3.208645     -1.876767
  C      -3.507041      4.258257     -2.483939
  C      -2.307020      4.655299     -1.941164
  C      -1.842450      4.003255     -0.776917
  N      -2.485805      3.016928     -0.172590
  C      -3.669349      2.600873     -0.702271
  C      -3.013429      5.326225      4.982234
  C      -4.017307      5.446096      3.850352
  C      -3.557232      4.698914      2.607031
  O      -4.685482      4.333932      1.794276
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  C      -7.047608      5.658908     -0.635850
  C      -8.330745      5.296540     -1.113253
  C      -8.986617      4.228666     -0.539410
  C      -8.364276      3.523787      0.513302
  N      -7.156375      3.813183      0.977454
  C      -6.495733      4.855691      0.407491
  C      -6.731110      1.895199      6.978147
  C      -7.420816      3.263482      6.871317
  C      -8.864883      3.135651      6.417907
  O      -8.812511      2.491600      5.126095
  C      -9.942700      2.081055      4.531209
  C     -11.235045      2.419705      4.894945
  C     -12.309771      1.920436      4.122986
  N     -12.195626      1.133469      3.065414
  C     -10.927855      0.771018      2.710127
  C     -10.731844     -0.084296      1.597850
  C      -9.453184     -0.468468      1.252914
  C      -8.366802      0.006625      2.017992
  N      -8.503903      0.820300      3.056784
  C      -9.760757      1.207579      3.407893
  H      -3.965498     -1.155130      4.203579
  H      -4.691104      0.245349      3.408666
  H      -1.746236     -0.466033      2.948178
  H      -3.042128     -1.252590      2.048010
  H      -2.033328      0.699452      0.829154
  H      -2.596673      1.788209      2.111884
  H      -6.220554      0.384961     -0.250028
  H      -7.047469      1.584187     -2.267040
  H      -3.930458      4.730540     -3.371532
  H      -1.721758      5.462043     -2.384261
  H      -0.894016      4.309135     -0.322993
  H      -2.000792      5.552630      4.590952
  H      -3.227212      6.107745      5.734861
  H      -4.167675      6.511484      3.621400
  H      -4.988220      5.043590      4.174390
  H      -3.103286      3.737421      2.879429
  H      -2.815898      5.261434      2.020822
  H      -3.590906      6.646170      0.713454
  H      -4.725310      7.919385     -1.067299
  H      -8.767460      5.886601     -1.919971
  H      -9.977499      3.925305     -0.879123
  H      -8.881548      2.687775      0.991918
  H      -7.127893      1.349372      7.851796
  H      -6.991023      1.301153      6.091941
  H      -6.870422      3.875665      6.141034
  H      -7.393566      3.795672      7.834542
  H      -9.352452      4.119057      6.324498
  H      -9.458056      2.510403      7.107107
  H     -11.440226      3.071685      5.742915
  H     -13.328879      2.200263      4.407706
  H     -11.610128     -0.421447      1.044967
  H      -9.267639     -1.127314      0.404123
  H      -7.342711     -0.286588      1.769256
  N      -5.273650      2.522243      4.298827
  N      -6.204110      2.430270      3.423454
  H      -7.007839      1.759088      3.538213
  H      -6.236784      3.058851      2.593675
102
Coordinates from ORCA-job orca E -6484.778944989725
  N      -3.233403      0.698565      4.853725
  Mo     -4.053582      2.354177      5.574926
  N      -5.272405      1.979254      7.083795
  C      -4.722379      1.813154      8.428904
  C      -3.365106      1.140247      8.315836
  N      -2.588633      1.825568      7.253100
  C      -1.566446      0.948680      6.629948
  C      -2.245841     -0.008963      5.673866
  C      -2.008230      3.099408      7.739932
  C      -1.790827      4.029620      6.565279
  N      -2.966913      4.032566      5.683383
  H      -1.475262     -0.483869      5.042577
  H      -2.742099     -0.834277      6.222913
  H      -0.878111      1.597697      6.070909
  H      -0.985576      0.414683      7.401080
  H      -1.610992      5.046005      6.956794
  H      -0.882010      3.755794      5.994837
  H      -2.736022      3.551980      8.426663
  H      -1.076099      2.913185      8.300933
  H      -5.390296      1.183420      9.039448
  H      -4.639681      2.783655      8.954203
  H      -3.507973      0.096375      8.006213
  H      -2.809521      1.149748      9.269100
  C      -3.740073     -0.159317      3.777881
  C      -2.778222     -0.330861      2.591559
  C      -2.788386      0.829022      1.615148
  O      -4.109286      0.846777      1.019828
  C      -4.423317      1.539180     -0.095059
  C      -5.630807      1.189786     -0.687245
  C      -6.087470      1.869255     -1.825708
  N      -5.434820      2.853794     -2.427808
  C      -4.240659      3.208024     -1.876933
  C      -3.507709      4.257791     -2.484345
  C      -2.307943      4.655558     -1.941550
  C      -1.843172      4.004100     -0.777049
  N      -2.486103      3.017609     -0.172518
  C      -3.669414      2.600864     -0.702207
  C      -3.013759      5.325797      4.982135
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  C      -3.557980      4.698765      2.607147
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  C      -4.573935      6.320226      0.376411
  C      -5.228183      7.042323     -0.647194
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  C      -8.364418      3.523287      0.511955
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  C      -7.420779      3.262711      6.872084
  C      -8.864913      3.134717      6.418902
  O      -8.812630      2.490613      5.127126
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  C     -11.235180      2.419860      4.895478
  C     -12.309920      1.921512      4.122934
  N     -12.195855      1.135248      3.064840
  C     -10.928146      0.772613      2.709527
  C     -10.732227     -0.081981      1.596675
  C      -9.453630     -0.466326      1.251694
  C      -8.367236      0.007867      2.017313
  N      -8.504252      0.820868      3.056642
  C      -9.761034      1.208305      3.407807
  H      -3.964356     -1.155663      4.203158
  H      -4.690384      0.244865      3.408679
  H      -1.745031     -0.464640      2.948630
  H      -3.040097     -1.252177      2.048065
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  H      -2.596158      1.788900      2.112497
  H      -6.219876      0.384331     -0.249067
  H      -7.047115      1.582392     -2.266709
  H      -3.931219      4.729638     -3.372122
  H      -1.723043      5.462475     -2.384813
  H      -0.894944      4.310557     -0.323087
  H      -2.001313      5.552048      4.590245
  H      -3.227009      6.107383      5.734835
  H      -4.169064      6.510910      3.621949
  H      -4.988771      5.042541      4.174954
  H      -3.103863      3.737284      2.879268
  H      -2.816724      5.261651      2.021199
  H      -3.591614      6.646405      0.714021
  H      -4.725623      7.919603     -1.066917
  H      -8.766958      5.886186     -1.921374
  H      -9.977172      3.924567     -0.881070
  H      -8.881796      2.687256      0.990399
  H      -7.127513      1.348157      7.851772
  H      -6.990468      1.300834      6.091928
  H      -6.870576      3.875133      6.141851
  H      -7.393435      3.794693      7.835421
  H      -9.352666      4.118034      6.325538
  H      -9.457850      2.509377      7.108230
  H     -11.440307      3.071291      5.743875
  H     -13.328974      2.201505      4.407664
  H     -11.610529     -0.418421      1.043389
  H      -9.268111     -1.124620      0.402470
  H      -7.343192     -0.285461      1.768529
  N      -5.273552      2.521693      4.299073
  N      -6.204036      2.430103      3.423666
  H      -7.007946      1.759112      3.538164
  H      -6.236192      3.058601      2.593888
102
Coordinates from ORCA-job orca E -6484.778946833230
  N      -3.232734      0.697290      4.855081
  Mo     -4.053241      2.352602      5.575752
  N      -5.271623      1.978456      7.085220
  C      -4.721364      1.814993      8.430536
  C      -3.364202      1.141639      8.318320
  N      -2.587837      1.825179      7.254310
  C      -1.566343      0.946870      6.631884
  C      -2.246447     -0.010778      5.676357
  C      -2.006344      3.099186      7.739478
  C      -1.789442      4.027882      6.563536
  N      -2.967142      4.031338      5.683668
  H      -1.476338     -0.487274      5.045710
  H      -2.744135     -0.834830      6.225980
  H      -0.877316      1.594854      6.072513
  H      -0.986145      0.412838      7.403491
  H      -1.607493      5.044502      6.953388
  H      -0.882058      3.751853      5.991921
  H      -2.733367      3.552790      8.426331
  H      -1.073842      2.912992      8.299847
  H      -5.389192      1.186470      9.042437
  H      -4.638445      2.786527      8.953872
  H      -3.507307      0.097256      8.010531
  H      -2.808322      1.152687      9.271388
  C      -3.737816     -0.159883      3.777944
  C      -2.774674     -0.328815      2.592189
  C      -2.786785      0.831562      1.616344
  O      -4.108012      0.848432      1.021908
  C      -4.422742      1.539079     -0.093835
  C      -5.629810      1.187598     -0.685676
  C      -6.087263      1.865285     -1.824865
  N      -5.435813      2.850072     -2.427869
  C      -4.242186      3.206504     -1.877187
  C      -3.510702      4.256847     -2.485346
  C      -2.311713      4.656907     -1.942573
  C      -1.846144      4.007179     -0.777431
  N      -2.487619      3.020098     -0.172272
  C      -3.670219      2.601128     -0.701902
  C      -3.014218      5.324351      4.981901
  C      -4.020402      5.444086      3.851941
  C      -3.560535      4.698357      2.607675
  O      -4.688715      4.334070      1.794556
  C      -5.191422      5.192547      0.887397
  C      -4.575280      6.320313      0.376601
  C      -5.228497      7.042125     -0.647846
  N      -6.407401      6.741850     -1.168291
  C      -7.047585      5.657954     -0.639305
  C      -8.329748      5.294951     -1.118944
  C      -8.986124      4.226920     -0.546187
  C      -8.365235      3.522482      0.507788
  N      -7.158300      3.812340      0.973979
  C      -6.497067      4.855023      0.404999
  C      -6.729811      1.892468      6.979736
  C      -7.420911      3.260279      6.874941
  C      -8.865017      3.131747      6.421708
  O      -8.812469      2.487750      5.129937
  C      -9.942784      2.081131      4.532782
  C     -11.234942      2.420804      4.896208
  C     -12.309705      1.925181      4.121943
  N     -12.195838      1.140659      3.062563
  C     -10.928317      0.777169      2.707460
  C     -10.732667     -0.075753      1.593262
  C      -9.454290     -0.461026      1.248503
  C      -8.367866      0.010627      2.015641
  N      -8.504640      0.822041      3.056244
  C      -9.761181      1.210291      3.407268
  H      -3.961067     -1.157061      4.201778
  H      -4.688292      0.243658      3.408508
  H      -1.741389     -0.459541      2.950193
  H      -3.033551     -1.250810      2.048474
  H      -2.031590      0.704286      0.830025
  H      -2.595034      1.791306      2.114201
  H      -6.218005      0.382068     -0.246435
  H      -7.046440      1.576647     -2.265744
  H      -3.934633      4.727356     -3.373633
  H      -1.728058      5.464455     -2.386339
  H      -0.898530      4.315507     -0.323480
  H      -2.002323      5.549496      4.587902
  H      -3.225183      6.106380      5.734728
  H      -4.172696      6.509398      3.623949
  H      -4.990149      5.039824      4.177235
  H      -3.106399      3.736680      2.878893
  H      -2.819302      5.262004      2.022463
  H      -3.593458      6.646875      0.715307
  H      -4.725695      7.919566     -1.066943
  H      -8.764994      5.884854     -1.926569
  H      -9.976111      3.922720     -0.887753
  H      -8.883138      2.686494      0.985687
  H      -7.126280      1.344368      7.852144
  H      -6.988811      1.299841      6.092363
  H      -6.871103      3.873708      6.145229
  H      -7.393811      3.791302      7.838806
  H      -9.353276      4.114821      6.328571
  H      -9.457545      2.505934      7.110991
  H     -11.439915      3.070829      5.745711
  H     -13.328631      2.205861      4.406472
  H     -11.610991     -0.410146      1.038776
  H      -9.268925     -1.118063      0.398272
  H      -7.343987     -0.283413      1.767033
  N      -5.273403      2.520182      4.300112
  N      -6.203945      2.429947      3.424497
  H      -7.008416      1.759419      3.538014
  H      -6.233796      3.057903      2.594531
102
Coordinates from ORCA-job orca E -6484.778947538234
  N      -3.233045      0.696646      4.855806
  Mo     -4.053332      2.352027      5.576135
  N      -5.271471      1.978687      7.086031
  C      -4.720949      1.816698      8.431395
  C      -3.364103      1.142598      8.319591
  N      -2.587632      1.824804      7.254776
  C      -1.566818      0.945348      6.632842
  C      -2.247676     -0.012098      5.677655
  C      -2.005201      3.098816      7.738888
  C      -1.788368      4.026543      6.562203
  N      -2.966985      4.030691      5.683518
  H      -1.477996     -0.489717      5.047341
  H      -2.746421     -0.835291      6.227589
  H      -0.877174      1.592488      6.073263
  H      -0.987183      0.411140      7.404747
  H      -1.604901      5.043228      6.951139
  H      -0.881891      3.749018      5.989895
  H      -2.731688      3.553241      8.425753
  H      -1.072523      2.912475      8.298912
  H      -5.388821      1.189178      9.044273
  H      -4.637430      2.788850      8.953466
  H      -3.507745      0.097973      8.012891
  H      -2.808011      1.154385      9.272528
  C      -3.737441     -0.159984      3.777898
  C      -2.773429     -0.327858      2.592612
  C      -2.786288      0.832647      1.616934
  O      -4.107499      0.848898      1.022462
  C      -4.422325      1.539002     -0.093595
  C      -5.628955      1.186508     -0.685746
  C      -6.086590      1.863655     -1.825184
  N      -5.435692      2.848834     -2.428128
  C      -4.242428      3.206181     -1.877227
  C      -3.511464      4.256833     -2.485476
  C      -2.312834      4.657721     -1.942536
  C      -1.847107      4.008533     -0.777163
  N      -2.488094      3.021178     -0.171911
  C      -3.670350      2.601395     -0.701702
  C      -3.013692      5.323505      4.981309
  C      -4.020881      5.443571      3.852278
  C      -3.561686      4.698327      2.607453
  O      -4.690192      4.334666      1.794560
  C      -5.192396      5.192983      0.886991
  C      -4.576057      6.320792      0.376535
  C      -5.228753      7.042523     -0.648286
  N      -6.407312      6.742113     -1.169439
  C      -7.047618      5.658071     -0.640905
  C      -8.329359      5.294807     -1.121456
  C      -8.985810      4.226451     -0.549413
  C      -8.365355      3.521948      0.504839
  N      -7.158914      3.812145      0.972017
  C      -6.497633      4.855151      0.403708
  C      -6.729556      1.891875      6.980664
  C      -7.421491      3.259370      6.876834
  C      -8.865511      3.130332      6.423475
  O      -8.812654      2.486766      5.131531
  C      -9.942896      2.080848      4.533803
  C     -11.235087      2.420120      4.897491
  C     -12.309832      1.925064      4.122840
  N     -12.195906      1.141391      3.062829
  C     -10.928346      0.778376      2.707375
  C     -10.732640     -0.073691      1.592526
  C      -9.454228     -0.458534      1.247402
  C      -8.367818      0.012750      2.014779
  N      -8.504665      0.823353      3.056007
  C      -9.761226      1.211088      3.407461
  H      -3.960578     -1.157486      4.200995
  H      -4.687759      0.243557      3.408066
  H      -1.740184     -0.457061      2.951308
  H      -3.030744     -1.250233      2.048836
  H      -2.031036      0.705908      0.830587
  H      -2.595069      1.792400      2.114996
  H      -6.216756      0.380667     -0.246542
  H      -7.045403      1.574185     -2.266321
  H      -3.935476      4.726880     -3.373970
  H      -1.729580      5.465530     -2.386372
  H      -0.899736      4.317524     -0.323165
  H      -2.002017      5.547637      4.586145
  H      -3.223114      6.105935      5.734133
  H      -4.173617      6.508903      3.624696
  H      -4.990268      5.038953      4.178217
  H      -3.107673      3.736438      2.878067
  H      -2.820520      5.262253      2.022437
  H      -3.594465      6.647479      0.715790
  H      -4.725842      7.920073     -1.067033
  H      -8.764258      5.884759     -1.929247
  H      -9.975446      3.921978     -0.891746
  H      -8.883315      2.685586      0.982034
  H      -7.125633      1.342842      7.852675
  H      -6.988282      1.299757      6.092891
  H      -6.872042      3.873538      6.147455
  H      -7.394689      3.789756      7.841046
  H      -9.354120      4.113272      6.330730
  H      -9.457814      2.504002      7.112487
  H     -11.440113      3.069285      5.747640
  H     -13.328791      2.205381      4.407620
  H     -11.610943     -0.407784      1.037828
  H      -9.268871     -1.114934      0.396677
  H      -7.343897     -0.280798      1.765799
  N      -5.273518      2.519910      4.300584
  N      -6.204041      2.430637      3.424758
  H      -7.008901      1.760417      3.537664
  H      -6.232131      3.058123      2.594557
102
Coordinates from ORCA-job orca E -6484.778948625758
  N      -3.233717      0.695662      4.856579
  Mo     -4.053623      2.351232      5.576496
  N      -5.271485      1.979172      7.086925
  C      -4.720537      1.818861      8.432275
  C      -3.364240      1.143556      8.320881
  N      -2.587485      1.824030      7.255128
  C      -1.567599      0.943073      6.633836
  C      -2.249490     -0.014054      5.679047
  C      -2.003841      3.098012      7.737955
  C      -1.787085      4.024626      6.560438
  N      -2.966780      4.029763      5.683180
  H      -1.480382     -0.493060      5.049097
  H      -2.749559     -0.836196      6.229321
  H      -0.877158      1.589109      6.073970
  H      -0.988681      0.408634      7.406114
  H      -1.601747      5.041326      6.948412
  H      -0.881692      3.745355      5.987279
  H      -2.729653      3.553452      8.424840
  H      -1.070944      2.911457      8.297539
  H      -5.388534      1.192755      9.046455
  H      -4.635961      2.791754      8.952775
  H      -3.508801      0.098709      8.015393
  H      -2.807901      1.156018      9.273671
  C      -3.737377     -0.160254      3.777710
  C      -2.772400     -0.326822      2.592931
  C      -2.785821      0.834048      1.617711
  O      -4.107070      0.850139      1.023250
  C      -4.421725      1.539740     -0.093201
  C      -5.627868      1.186442     -0.685861
  C      -6.085466      1.863241     -1.825546
  N      -5.434902      2.848746     -2.428286
  C      -4.241963      3.206705     -1.877051
  C      -3.511186      4.257447     -2.485380
  C      -2.312864      4.658891     -1.942170
  C      -1.847342      4.010228     -0.776434
  N      -2.488164      3.022815     -0.171094
  C      -3.670054      2.602403     -0.701210
  C      -3.012840      5.322312      4.980409
  C      -4.021308      5.443006      3.852610
  C      -3.563341      4.698361      2.606947
  O      -4.692536      4.335693      1.794646
  C      -5.193971      5.193648      0.886324
  C      -4.577135      6.321157      0.375839
  C      -5.229146      7.042661     -0.649560
  N      -6.407487      6.742311     -1.171238
  C      -7.048152      5.658400     -0.642876
  C      -8.329602      5.295088     -1.124127
  C      -8.986270      4.226563     -0.552619
  C      -8.366246      3.521948      0.501868
  N      -7.160243      3.812378      0.969969
  C      -6.498842      4.855575      0.402192
  C      -6.729494      1.891614      6.981806
  C      -7.422201      3.258821      6.878814
  C      -8.866003      3.129421      6.424872
  O      -8.812597      2.486542      5.132617
  C      -9.942716      2.080763      4.534532
  C     -11.234967      2.419654      4.898374
  C     -12.309696      1.924555      4.123741
  N     -12.195676      1.141074      3.063577
  C     -10.928050      0.778520      2.707893
  C     -10.732255     -0.073441      1.592980
  C      -9.453779     -0.457859      1.247595
  C      -8.367367      0.013861      2.014683
  N      -8.504324      0.824341      3.056000
  C      -9.760939      1.211504      3.407837
  H      -3.960484     -1.158120      4.199897
  H      -4.687475      0.243378      3.407424
  H      -1.739254     -0.454695      2.952402
  H      -3.028186     -1.249393      2.048798
  H      -2.030580      0.707854      0.831275
  H      -2.594930      1.793654      2.116200
  H      -6.215476      0.380292     -0.246968
  H      -7.043952      1.573172     -2.267015
  H      -3.935092      4.727067     -3.374151
  H      -1.729723      5.466755     -2.386074
  H      -0.900227      4.319755     -0.322276
  H      -2.001400      5.545120      4.583894
  H      -3.220344      6.105250      5.733228
  H      -4.174411      6.508405      3.625588
  H      -4.990298      5.038152      4.179455
  H      -3.109544      3.736137      2.876713
  H      -2.822318      5.262472      2.021950
  H      -3.595650      6.647740      0.715501
  H      -4.725916      7.920038     -1.068290
  H      -8.764241      5.885050     -1.932068
  H      -9.975694      3.922069     -0.895543
  H      -8.884338      2.685236      0.978345
  H      -7.125066      1.341835      7.853591
  H      -6.988077      1.299880      6.093761
  H      -6.872909      3.873750      6.149938
  H      -7.395987      3.788500      7.843418
  H      -9.354788      4.112323      6.332591
  H      -9.458396      2.502525      7.113294
  H     -11.440084      3.068403      5.748825
  H     -13.328714      2.204544      4.408644
  H     -11.610534     -0.407825      1.038424
  H      -9.268469     -1.114216      0.396828
  H      -7.343370     -0.279121      1.765377
  N      -5.273798      2.519470      4.301065
  N      -6.204249      2.431509      3.424943
  H      -7.009576      1.761561      3.537056
  H      -6.230192      3.058691      2.594687
102
Coordinates from ORCA-job orca E -6484.778949577663
  N      -3.234723      0.694814      4.856956
  Mo     -4.054030      2.350732      5.576614
  N      -5.271586      1.979904      7.087559
  C      -4.720064      1.820696      8.432782
  C      -3.364364      1.144164      8.321464
  N      -2.587332      1.823224      7.254978
  C      -1.568351      0.940991      6.634117
  C      -2.251268     -0.015776      5.679658
  C      -2.002598      3.097132      7.736760
  C      -1.785949      4.022933      6.558639
  N      -2.966522      4.029037      5.682582
  H      -1.482729     -0.495808      5.049799
  H      -2.752291     -0.837152      6.230180
  H      -0.877241      1.586065      6.073959
  H      -0.989995      0.406303      7.406638
  H      -1.599043      5.039582      6.945994
  H      -0.881449      3.742333      5.984720
  H      -2.727792      3.553413      8.423726
  H      -1.069496      2.910342      8.295919
  H      -5.388184      1.195864      9.048121
  H      -4.634277      2.794120      8.952084
  H      -3.509910      0.099227      8.016755
  H      -2.807781      1.156879      9.274112
  C      -3.738199     -0.160556      3.777508
  C      -2.772713     -0.326516      2.593011
  C      -2.785950      0.834762      1.618312
  O      -4.107161      0.851345      1.023658
  C      -4.421087      1.540835     -0.093115
  C      -5.626656      1.187298     -0.686781
  C      -6.083448      1.864011     -1.826869
  N      -5.432563      2.849592     -2.429096
  C      -4.240078      3.207700     -1.876950
  C      -3.508846      4.258319     -2.484945
  C      -2.310917      4.659863     -1.940915
  C      -1.846365      4.011438     -0.774670
  N      -2.487667      3.024183     -0.169592
  C      -3.669087      2.603604     -0.700575
  C      -3.012123      5.321476      4.979609
  C      -4.021680      5.442913      3.852903
  C      -3.564939      4.698884      2.606403
  O      -4.694822      4.336948      1.794780
  C      -5.195687      5.194401      0.885671
  C      -4.578549      6.321672      0.375042
  C      -5.230043      7.042763     -0.650980
  N      -6.408128      6.742207     -1.173112
  C      -7.048963      5.658360     -0.644795
  C      -8.330054      5.294702     -1.126682
  C      -8.986714      4.225943     -0.555544
  C      -8.367006      3.521464      0.499245
  N      -7.161456      3.812384      0.968189
  C      -6.500162      4.855839      0.400785
  C      -6.729581      1.891931      6.982943
  C      -7.422768      3.258932      6.880363
  C      -8.866418      3.129252      6.426083
  O      -8.812685      2.487151      5.133453
  C      -9.942713      2.080617      4.535621
  C     -11.235055      2.418664      4.899962
  C     -12.309811      1.922832      4.125849
  N     -12.195687      1.139379      3.065651
  C     -10.927947      0.777792      2.709398
  C     -10.732017     -0.074094      1.594454
  C      -9.453418     -0.457523      1.248428
  C      -8.366971      0.015184      2.014839
  N      -8.504085      0.825555      3.056224
  C      -9.760817      1.211649      3.408773
  H      -3.961537     -1.158566      4.199181
  H      -4.688043      0.243412      3.406941
  H      -1.739699     -0.454217      2.952922
  H      -3.028042     -1.248939      2.048407
  H      -2.030659      0.708758      0.831902
  H      -2.595028      1.794124      2.117257
  H      -6.214533      0.380953     -0.248611
  H      -7.041541      1.573759     -2.269085
  H      -3.932127      4.727706     -3.374143
  H      -1.727371      5.467562     -2.384587
  H      -0.899602      4.321149     -0.319904
  H      -2.000879      5.543382      4.582107
  H      -3.218173      6.104688      5.732551
  H      -4.174980      6.508409      3.626473
  H      -4.990374      5.037955      4.180502
  H      -3.111159      3.736417      2.875353
  H      -2.824213      5.263154      2.021218
  H      -3.597222      6.648321      0.715089
  H      -4.726638      7.919991     -1.069830
  H      -8.764616      5.884429     -1.934846
  H      -9.975896      3.921263     -0.898989
  H      -8.885067      2.684378      0.975144
  H      -7.124605      1.341965      7.854861
  H      -6.988343      1.300213      6.094949
  H      -6.873613      3.874344      6.151784
  H      -7.397000      3.788222      7.845183
  H      -9.355337      4.112149      6.334360
  H      -9.458843      2.501823      7.113982
  H     -11.440230      3.067206      5.750566
  H     -13.328910      2.202149      4.411130
  H     -11.610289     -0.409224      1.040338
  H      -9.268161     -1.113854      0.397630
  H      -7.342847     -0.276813      1.764947
  N      -5.274286      2.519325      4.301403
  N      -6.204704      2.432539      3.425091
  H      -7.010417      1.762802      3.536612
  H      -6.229018      3.059596      2.594869
102
Coordinates from ORCA-job orca E -6484.778950565762
  N      -3.235182      0.694299      4.856977
  Mo     -4.054382      2.350304      5.576662
  N      -5.271861      1.980079      7.087759
  C      -4.720032      1.821267      8.432897
  C      -3.364675      1.144060      8.321570
  N      -2.587400      1.822528      7.254866
  C      -1.568800      0.939745      6.634249
  C      -2.252107     -0.016763      5.679773
  C      -2.002234      3.096406      7.736216
  C      -1.785628      4.021909      6.557883
  N      -2.966517      4.028498      5.682282
  H      -1.483770     -0.497160      5.049946
  H      -2.753565     -0.837887      6.230268
  H      -0.877308      1.584388      6.074054
  H      -0.990779      0.404891      7.406902
  H      -1.598064      5.038494      6.945103
  H      -0.881468      3.740844      5.983652
  H      -2.727183      3.553046      8.423196
  H      -1.069056      2.909542      8.295224
  H      -5.388276      1.197135      9.048806
  H      -4.633516      2.794912      8.951667
  H      -3.510778      0.099153      8.017016
  H      -2.808041      1.156664      9.274192
  C      -3.738429     -0.160707      3.777090
  C      -2.772673     -0.326109      2.592748
  C      -2.785697      0.835573      1.618536
  O      -4.106957      0.852670      1.023906
  C      -4.420538      1.542126     -0.093021
  C      -5.626003      1.188770     -0.686965
  C      -6.082388      1.865494     -1.827233
  N      -5.431154      2.850856     -2.429421
  C      -4.238738      3.208774     -1.877001
  C      -3.507088      4.259087     -2.485017
  C      -2.309237      4.660517     -1.940716
  C      -1.845299      4.012340     -0.774094
  N      -2.487006      3.025373     -0.168985
  C      -3.668239      2.604794     -0.700334
  C      -3.011943      5.320937      4.979352
  C      -4.021954      5.442801      3.853116
  C      -3.565910      4.699037      2.606203
  O      -4.696221      4.337500      1.794998
  C      -5.196598      5.194550      0.885219
  C      -4.579067      6.321418      0.374202
  C      -5.230189      7.042200     -0.652279
  N      -6.408286      6.741742     -1.174424
  C      -7.049457      5.658227     -0.645809
  C      -8.330569      5.294694     -1.127694
  C      -8.987444      4.226141     -0.556361
  C      -8.367930      3.521751      0.498578
  N      -7.162422      3.812639      0.967674
  C      -6.500998      4.855930      0.400124
  C      -6.729915      1.892286      6.983481
  C      -7.422926      3.259361      6.880738
  C      -8.866471      3.129965      6.426049
  O      -8.812606      2.488261      5.133204
  C      -9.942619      2.080896      4.535807
  C     -11.234994      2.418759      4.900242
  C     -12.309786      1.922124      4.126707
  N     -12.195659      1.137995      3.066994
  C     -10.927889      0.776605      2.710672
  C     -10.731944     -0.075993      1.596281
  C      -9.453299     -0.459135      1.250104
  C      -8.366796      0.014603      2.015784
  N      -8.503939      0.825598      3.056678
  C      -9.760716      1.211372      3.409425
  H      -3.961918     -1.158842      4.198349
  H      -4.688159      0.243441      3.406423
  H      -1.739756     -0.454031      2.952847
  H      -3.027899     -1.248238      2.047587
  H      -2.030449      0.709702      0.832070
  H      -2.594599      1.794701      2.117855
  H      -6.214170      0.382488     -0.249082
  H      -7.040460      1.575413     -2.269611
  H      -3.930050      4.728320     -3.374450
  H      -1.725322      5.467925     -2.384429
  H      -0.898683      4.322095     -0.319050
  H      -2.000769      5.542583      4.581559
  H      -3.217520      6.104195      5.732387
  H      -4.175236      6.508365      3.626975
  H      -4.990561      5.037923      4.181074
  H      -3.112141      3.736444      2.874778
  H      -2.825345      5.263260      2.020783
  H      -3.597724      6.647922      0.714334
  H      -4.726505      7.919099     -1.071479
  H      -8.765128      5.884216     -1.936004
  H      -9.976694      3.921672     -0.899793
  H      -8.886128      2.684707      0.974430
  H      -7.124731      1.342651      7.855697
  H      -6.988966      1.300373      6.095702
  H      -6.873519      3.874754      6.152336
  H      -7.397442      3.788621      7.845584
  H      -9.355115      4.113022      6.334494
  H      -9.459257      2.502501      7.113592
  H     -11.440176      3.067764      5.750497
  H     -13.328911      2.201334      4.412003
  H     -11.610238     -0.411895      1.042665
  H      -9.268130     -1.116014      0.399711
  H      -7.342614     -0.277017      1.765700
  N      -5.274639      2.518978      4.301559
  N      -6.204936      2.432785      3.425081
  H      -7.010883      1.763149      3.536312
  H      -6.228625      3.060161      2.595198
102
Coordinates from ORCA-job orca E -6484.778951425196
  N      -3.236015      0.693740      4.856688
  Mo     -4.054902      2.349950      5.576580
  N      -5.272260      1.980412      7.087858
  C      -4.719901      1.821670      8.432810
  C      -3.365000      1.143622      8.321190
  N      -2.587441      1.821598      7.254367
  C      -1.569336      0.938265      6.633860
  C      -2.253147     -0.017847      5.679293
  C      -2.001764      3.095392      7.735305
  C      -1.785243      4.020684      6.556804
  N      -2.966481      4.027902      5.681718
  H      -1.485087     -0.498427      5.049268
  H      -2.754874     -0.838873      6.229683
  H      -0.877414      1.582445      6.073647
  H      -0.991669      0.403122      7.406573
  H      -1.596943      5.037144      6.944028
  H      -0.881450      3.739213      5.982177
  H      -2.726394      3.552405      8.422374
  H      -1.068485      2.908400      8.294099
  H      -5.388290      1.198312      9.049340
  H      -4.632378      2.795443      8.951190
  H      -3.511832      0.098852      8.016486
  H      -2.808292      1.155752      9.273777
  C      -3.739410     -0.160898      3.776530
  C      -2.773688     -0.326043      2.592184
  C      -2.785972      0.836230      1.618687
  O      -4.107162      0.854319      1.023832
  C      -4.419830      1.543960     -0.093274
  C      -5.625014      1.191126     -0.688053
  C      -6.080142      1.867835     -1.828855
  N      -5.427942      2.852686     -2.430795
  C      -4.235868      3.210253     -1.877396
  C      -3.503268      4.260103     -2.485047
  C      -2.305765      4.661289     -1.939769
  C      -1.843251      4.013326     -0.772466
  N      -2.485892      3.026793     -0.167659
  C      -3.666680      2.606376     -0.700049
  C      -3.012069      5.320583      4.979358
  C      -4.022552      5.443054      3.853621
  C      -3.567211      4.699778      2.606176
  O      -4.697962      4.338496      1.795433
  C      -5.197764      5.194853      0.884656
  C      -4.579925      6.321348      0.373211
  C      -5.230530      7.041457     -0.654095
  N      -6.408389      6.740681     -1.176568
  C      -7.049847      5.657494     -0.647578
  C      -8.330732      5.293668     -1.129804
  C      -8.987796      4.225387     -0.558126
  C      -8.368737      3.521551      0.497411
  N      -7.163438      3.812733      0.966922
  C      -6.501909      4.855815      0.399086
  C      -6.730433      1.893154      6.984244
  C      -7.422942      3.260414      6.881023
  C      -8.866472      3.131445      6.426214
  O      -8.812773      2.490375      5.133016
  C      -9.942818      2.081169      4.536797
  C     -11.235259      2.418024      4.901986
  C     -12.310168      1.919726      4.129697
  N     -12.196062      1.134938      3.070461
  C     -10.928206      0.774634      2.713381
  C     -10.732243     -0.078510      1.599417
  C      -9.453484     -0.460491      1.252404
  C      -8.366845      0.014949      2.016824
  N      -8.504038      0.826414      3.057341
  C      -9.760923      1.211079      3.410910
  H      -3.963199     -1.159070      4.197518
  H      -4.689012      0.243640      3.405955
  H      -1.740893     -0.455075      2.952221
  H      -3.029559     -1.247542      2.046217
  H      -2.030647      0.710410      0.832290
  H      -2.594554      1.795004      2.118555
  H      -6.213931      0.385087     -0.250750
  H      -7.038024      1.578126     -2.271888
  H      -3.925342      4.729169     -3.374999
  H      -1.721072      5.468267     -2.383223
  H      -0.897025      4.323044     -0.316573
  H      -2.001010      5.542427      4.581423
  H      -3.217451      6.103586      5.732734
  H      -4.175793      6.508728      3.627970
  H      -4.991082      5.038231      4.181856
  H      -3.113228      3.737123      2.874244
  H      -2.826978      5.264054      2.020427
  H      -3.598766      6.648007      0.713714
  H      -4.726615      7.918033     -1.073706
  H      -8.765165      5.882568     -1.938628
  H      -9.976936      3.920850     -0.901810
  H      -8.887108      2.684676      0.973400
  H      -7.124987      1.344333      7.857073
  H      -6.990117      1.300763      6.096952
  H      -6.873248      3.875565      6.152645
  H      -7.397584      3.789898      7.845756
  H      -9.354825      4.114691      6.335064
  H      -9.459492      2.503887      7.113451
  H     -11.440388      3.067554      5.751863
  H     -13.329347      2.198176      4.415547
  H     -11.610612     -0.415763      1.046738
  H      -9.268431     -1.117785      0.402309
  H      -7.342543     -0.275672      1.766098
  N      -5.275297      2.518764      4.301759
  N      -6.205424      2.433242      3.425078
  H      -7.011727      1.763859      3.536074
  H      -6.228595      3.061098      2.595647
102
Coordinates from ORCA-job orca E -6484.778951854662
  N      -3.235711      0.693736      4.856549
  Mo     -4.054988      2.349715      5.576721
  N      -5.272449      1.979861      7.087815
  C      -4.720118      1.820989      8.432786
  C      -3.365150      1.143103      8.321146
  N      -2.587553      1.821342      7.254521
  C      -1.569280      0.938212      6.634006
  C      -2.252844     -0.017818      5.679177
  C      -2.002092      3.095174      7.735572
  C      -1.785559      4.020572      6.557141
  N      -2.966654      4.027684      5.681861
  H      -1.484629     -0.498177      5.049170
  H      -2.754494     -0.839034      6.229367
  H      -0.877305      1.582511      6.073997
  H      -0.991690      0.402988      7.406723
  H      -1.597457      5.037018      6.944506
  H      -0.881630      3.739328      5.982613
  H      -2.726820      3.552098      8.422600
  H      -1.068849      2.908284      8.294464
  H      -5.388523      1.197567      9.049232
  H      -4.632682      2.794712      8.951287
  H      -3.511856      0.098394      8.016161
  H      -2.808543      1.155041      9.273794
  C      -3.738775     -0.160761      3.776133
  C      -2.772929     -0.325466      2.591866
  C      -2.785349      0.836988      1.618561
  O      -4.106612      0.855015      1.023881
  C      -4.419584      1.544482     -0.093235
  C      -5.624984      1.191638     -0.687558
  C      -6.080364      1.868104     -1.828397
  N      -5.428239      2.852734     -2.430787
  C      -4.236038      3.210409     -1.877734
  C      -3.503575      4.260141     -2.485747
  C      -2.306017      4.661536     -1.940746
  C      -1.843334      4.013946     -0.773299
  N      -2.485807      3.027489     -0.168188
  C      -3.666601      2.606812     -0.700360
  C      -3.012549      5.320509      4.979827
  C      -4.022811      5.442892      3.853862
  C      -3.567297      4.699571      2.606524
  O      -4.698000      4.338206      1.795711
  C      -5.197585      5.194433      0.884678
  C      -4.579602      6.320783      0.373096
  C      -5.230063      7.040781     -0.654390
  N      -6.407942      6.740083     -1.176844
  C      -7.049591      5.657090     -0.647673
  C      -8.330575      5.293444     -1.129782
  C      -8.987830      4.225427     -0.557827
  C      -8.368896      3.521677      0.497809
  N      -7.163489      3.812665      0.967189
  C      -6.501775      4.855502      0.399118
  C      -6.730685      1.893066      6.984275
  C      -7.422698      3.260542      6.880708
  C      -8.866243      3.132082      6.425771
  O      -8.812695      2.490861      5.132630
  C      -9.942815      2.081626      4.536546
  C     -11.235204      2.418935      4.901516
  C     -12.310157      1.920618      4.129300
  N     -12.196164      1.135376      3.070398
  C     -10.928380      0.774581      2.713578
  C     -10.732547     -0.079044      1.599962
  C      -9.453851     -0.461426      1.253157
  C      -8.367156      0.014063      2.017464
  N      -8.504228      0.825951      3.057664
  C      -9.761046      1.211045      3.411016
  H      -3.962506     -1.159062      4.196851
  H      -4.688420      0.243705      3.405584
  H      -1.740144     -0.454568      2.951899
  H      -3.028692     -1.246815      2.045583
  H      -2.030069      0.711371      0.832090
  H      -2.593955      1.795703      2.118552
  H      -6.213858      0.385769     -0.249887
  H      -7.038395      1.578370     -2.271091
  H      -3.925837      4.728974     -3.375732
  H      -1.721430      5.468436     -2.384476
  H      -0.897122      4.323905     -0.317540
  H      -2.001479      5.542830      4.582197
  H      -3.218441      6.103296      5.733293
  H      -4.175977      6.508574      3.628181
  H      -4.991417      5.038132      4.181937
  H      -3.113275      3.736960      2.874698
  H      -2.827056      5.263779      2.020724
  H      -3.598456      6.647425      0.713650
  H      -4.726004      7.917215     -1.074124
  H      -8.764949      5.882235     -1.938704
  H      -9.977056      3.921050     -0.901414
  H      -8.887407      2.685031      0.974036
  H      -7.125378      1.344640      7.857280
  H      -6.990550      1.300524      6.097131
  H      -6.872659      3.875411      6.152357
  H      -7.397309      3.790206      7.845353
  H      -9.354204      4.115504      6.334413
  H      -9.459582      2.504880      7.113053
  H     -11.440253      3.068913      5.751071
  H     -13.329284      2.199486      4.414934
  H     -11.610958     -0.416323      1.047367
  H      -9.268887     -1.119063      0.403308
  H      -7.342896     -0.276853      1.766885
  N      -5.275384      2.518360      4.301921
  N      -6.205324      2.432683      3.425081
  H      -7.011740      1.763427      3.536122
  H      -6.228703      3.060888      2.595941
102
Coordinates from ORCA-job orca E -6484.778953331692
  N      -3.234655      0.693979      4.855903
  Mo     -4.055354      2.349019      5.577367
  N      -5.272994      1.977663      7.087882
  C      -4.720535      1.818068      8.432821
  C      -3.365207      1.141070      8.320785
  N      -2.587712      1.820552      7.254902
  C      -1.568806      0.938358      6.634079
  C      -2.251520     -0.017353      5.678324
  C      -2.003127      3.094540      7.736407
  C      -1.786711      4.020386      6.558231
  N      -2.967426      4.027036      5.682400
  H      -1.482811     -0.496712      5.048146
  H      -2.752639     -0.839399      6.227805
  H      -0.876778      1.583238      6.074820
  H      -0.991371      0.402773      7.406660
  H      -1.599345      5.036789      6.946079
  H      -0.882365      3.739977      5.983952
  H      -2.728196      3.551018      8.423397
  H      -1.069945      2.908068      8.295558
  H      -5.388782      1.194089      9.048876
  H      -4.633608      2.791499      8.952006
  H      -3.511262      0.096595      8.014630
  H      -2.808861      1.152244      9.273595
  C      -3.736828     -0.160089      3.774770
  C      -2.770755     -0.323419      2.590636
  C      -2.783708      0.839675      1.618024
  O      -4.105050      0.857303      1.023688
  C      -4.418740      1.546106     -0.093559
  C      -5.624579      1.192989     -0.686832
  C      -6.080199      1.868198     -1.828277
  N      -5.428084      2.851959     -2.432102
  C      -4.235854      3.210398     -1.879605
  C      -3.503731      4.259761     -2.488627
  C      -2.306352      4.662164     -1.943983
  C      -1.843501      4.016003     -0.775803
  N      -2.485556      3.029790     -0.169822
  C      -3.666115      2.608075     -0.701719
  C      -3.015178      5.320711      4.982207
  C      -4.024513      5.442654      3.855280
  C      -3.567953      4.699329      2.608405
  O      -4.698259      4.337423      1.797109
  C      -5.196987      5.192945      0.884921
  C      -4.578627      6.318913      0.372963
  C      -5.228313      7.038075     -0.655640
  N      -6.405805      6.737025     -1.178695
  C      -7.048054      5.654648     -0.648934
  C      -8.328892      5.290951     -1.131421
  C      -8.986866      4.223907     -0.558505
  C      -8.368897      3.521162      0.498291
  N      -7.163490      3.812010      0.967841
  C      -6.501032      4.853918      0.398900
  C      -6.731435      1.892563      6.984857
  C      -7.421713      3.260789      6.880250
  C      -8.865427      3.133968      6.425364
  O      -8.812715      2.492521      5.132276
  C      -9.943174      2.083146      4.536900
  C     -11.235352      2.421208      4.901967
  C     -12.310623      1.922860      4.130198
  N     -12.197172      1.136973      3.071763
  C     -10.929631      0.775418      2.714878
  C     -10.734393     -0.078732      1.601561
  C      -9.455929     -0.461722      1.254603
  C      -8.368899      0.013546      2.018578
  N      -8.505430      0.825869      3.058497
  C      -9.761997      1.211751      3.411885
  H      -3.960173     -1.158825      4.194706
  H      -4.686693      0.244089      3.404467
  H      -1.737953     -0.452899      2.950460
  H      -3.026355     -1.244245      2.043330
  H      -2.028389      0.714944      0.831442
  H      -2.592692      1.798243      2.118480
  H      -6.213475      0.387831     -0.247893
  H      -7.038400      1.578098     -2.270339
  H      -3.926235      4.727570     -3.379047
  H      -1.722049      5.468853     -2.388456
  H      -0.897558      4.326932     -0.320138
  H      -2.004170      5.545553      4.585853
  H      -3.223434      6.102260      5.736318
  H      -4.177526      6.508355      3.629566
  H      -4.993382      5.037897      4.182531
  H      -3.113674      3.736956      2.877001
  H      -2.827702      5.263479      2.022601
  H      -3.597823      6.645951      0.714117
  H      -4.723801      7.914091     -1.075717
  H      -8.762618      5.878872     -1.941296
  H      -9.975987      3.919510     -0.902400
  H      -8.888019      2.685499      0.975534
  H      -7.126552      1.345521      7.858501
  H      -6.992104      1.299500      6.098261
  H      -6.870696      3.874760      6.151904
  H      -7.395959      3.791056      7.844592
  H      -9.352323      4.117883      6.333706
  H      -9.459394      2.507678      7.112929
  H     -11.439929      3.072076      5.750956
  H     -13.329543      2.202431      4.415897
  H     -11.613055     -0.415883      1.049287
  H      -9.271367     -1.119672      0.404911
  H      -7.344802     -0.277964      1.767981
  N      -5.275958      2.517062      4.302831
  N      -6.205079      2.430682      3.425242
  H      -7.012136      1.762238      3.536519
  H      -6.229189      3.060083      2.597056
102
Coordinates from ORCA-job orca E -6484.778953941135
  N      -3.234568      0.693959      4.855912
  Mo     -4.055406      2.348861      5.577557
  N      -5.272937      1.977261      7.088108
  C      -4.720375      1.817766      8.433034
  C      -3.364929      1.141031      8.320919
  N      -2.587601      1.820568      7.254952
  C      -1.568688      0.938399      6.634045
  C      -2.251420     -0.017322      5.678334
  C      -2.003031      3.094602      7.736315
  C      -1.786687      4.020323      6.558007
  N      -2.967507      4.026833      5.682273
  H      -1.482724     -0.496709      5.048158
  H      -2.752504     -0.839356      6.227873
  H      -0.876670      1.583302      6.074813
  H      -0.991252      0.402769      7.406599
  H      -1.599295      5.036774      6.945686
  H      -0.882414      3.739801      5.983686
  H      -2.728063      3.551133      8.423314
  H      -1.069812      2.908206      8.295437
  H      -5.388463      1.193612      9.049089
  H      -4.633695      2.791211      8.952232
  H      -3.510810      0.096511      8.014832
  H      -2.808504      1.152329      9.273681
  C      -3.736629     -0.160038      3.774694
  C      -2.770484     -0.323187      2.590593
  C      -2.783489      0.840049      1.618151
  O      -4.104832      0.857777      1.023902
  C      -4.418542      1.546366     -0.093450
  C      -5.624458      1.193206     -0.686560
  C      -6.080100      1.868208     -1.828107
  N      -5.427949      2.851817     -2.432159
  C      -4.235709      3.210370     -1.879760
  C      -3.503639      4.259690     -2.488921
  C      -2.306319      4.662244     -1.944278
  C      -1.843442      4.016309     -0.775983
  N      -2.485413      3.030096     -0.169902
  C      -3.665941      2.608229     -0.701794
  C      -3.015947      5.320757      4.982585
  C      -4.025093      5.442463      3.855441
  C      -3.568179      4.699278      2.608616
  O      -4.698395      4.337326      1.797185
  C      -5.196949      5.192662      0.884753
  C      -4.578524      6.318513      0.372617
  C      -5.228071      7.037432     -0.656245
  N      -6.405507      6.736304     -1.179375
  C      -7.047878      5.654115     -0.649374
  C      -8.328717      5.290414     -1.131867
  C      -8.986894      4.223665     -0.558655
  C      -8.369096      3.521199      0.498434
  N      -7.163665      3.812006      0.967929
  C      -6.501001      4.853627      0.398720
  C      -6.731386      1.892276      6.985187
  C      -7.421584      3.260538      6.880451
  C      -8.865325      3.133757      6.425619
  O      -8.812705      2.492133      5.132623
  C      -9.943211      2.083138      4.537116
  C     -11.235350      2.421329      4.902206
  C     -12.310669      1.923346      4.130262
  N     -12.197316      1.137711      3.071643
  C     -10.929824      0.776010      2.714722
  C     -10.734707     -0.077884      1.601186
  C      -9.456297     -0.461044      1.254199
  C      -8.369222      0.013778      2.018389
  N      -8.505646      0.825877      3.058497
  C      -9.762143      1.211953      3.411895
  H      -3.959856     -1.158857      4.194510
  H      -4.686530      0.244045      3.404390
  H      -1.737682     -0.452632      2.950433
  H      -3.025997     -1.243970      2.043183
  H      -2.028178      0.715520      0.831538
  H      -2.592474      1.798537      2.118776
  H      -6.213381      0.388237     -0.247305
  H      -7.038310      1.578039     -2.270109
  H      -3.926136      4.727381     -3.379404
  H      -1.722094      5.468960     -2.388804
  H      -0.897538      4.327363     -0.320319
  H      -2.005032      5.546356      4.586438
  H      -3.224810      6.101912      5.736923
  H      -4.178240      6.508157      3.629767
  H      -4.993956      5.037514      4.182482
  H      -3.113834      3.736933      2.877176
  H      -2.827938      5.263618      2.022981
  H      -3.597765      6.645680      0.713782
  H      -4.723467      7.913350     -1.076422
  H      -8.762241      5.878153     -1.941983
  H      -9.976001      3.919235     -0.902562
  H      -8.888361      2.685815      0.975994
  H      -7.126535      1.345327      7.858875
  H      -6.992097      1.299148      6.098641
  H      -6.870530      3.874420      6.152053
  H      -7.395748      3.790900      7.844743
  H      -9.352213      4.117662      6.333851
  H      -9.459250      2.507564      7.113314
  H     -11.439859      3.072054      5.751320
  H     -13.329550      2.203019      4.416018
  H     -11.613414     -0.414695      1.048777
  H      -9.271779     -1.118772      0.404325
  H      -7.345169     -0.277908      1.767794
  N      -5.276154      2.516783      4.303158
  N      -6.205005      2.430261      3.425281
  H      -7.012240      1.762029      3.536462
  H      -6.229049      3.059882      2.597290
