102
Coordinates from ORCA-job orca E -6484.644515961274
  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      -5.104494      3.823019      1.437082
  H      -6.039865      2.370831      1.691705
102
Coordinates from ORCA-job orca E -6484.710951506463
  N      -2.912211      0.509136      4.668776
  Mo     -3.558704      2.341129      4.836674
  N      -4.874637      1.999651      6.219645
  C      -4.410788      1.800851      7.587964
  C      -2.998233      1.218797      7.582110
  N      -2.166804      1.950846      6.610819
  C      -1.065732      1.114160      6.111039
  C      -1.632999      0.043630      5.153562
  C      -1.641534      3.202030      7.186994
  C      -1.692321      4.252802      6.069396
  N      -3.004740      4.145953      5.468987
  H      -0.917571     -0.117040      4.332202
  H      -1.752381     -0.919191      5.677164
  H      -0.375877      1.763380      5.563455
  H      -0.522628      0.643270      6.942840
  H      -1.499119      5.253882      6.474574
  H      -0.915852      4.036857      5.318403
  H      -2.300842      3.529554      7.996705
  H      -0.628381      3.065309      7.585332
  H      -5.073053      1.105880      8.126994
  H      -4.429052      2.755850      8.139737
  H      -3.058919      0.172150      7.269669
  H      -2.552780      1.256867      8.585907
  C      -3.897740     -0.513236      4.436613
  C      -3.531037     -1.421239      3.244798
  C      -3.420546     -0.629587      1.943347
  O      -4.732862     -0.192427      1.551960
  C      -4.840871      0.254816      0.248343
  C      -5.651531     -0.441499     -0.631838
  C      -5.783287      0.022481     -1.946135
  N      -5.172994      1.091147     -2.420357
  C      -4.380759      1.796432     -1.579571
  C      -3.729985      2.959629     -2.046938
  C      -2.943774      3.681425     -1.171438
  C      -2.819627      3.240840      0.148836
  N      -3.402511      2.155626      0.625988
  C      -4.176561      1.427593     -0.213380
  C      -3.911129      5.238025      5.793509
  C      -4.992712      5.439619      4.721076
  C      -4.384537      5.865032      3.375360
  O      -5.102830      5.315170      2.273710
  C      -6.338906      5.757854      1.913766
  C      -6.886566      6.977954      2.271919
  C      -8.116543      7.351185      1.723853
  N      -8.797157      6.631150      0.855731
  C      -8.298297      5.424751      0.501653
  C      -8.994294      4.646379     -0.452319
  C      -8.504892      3.400904     -0.777964
  C      -7.372089      2.925988     -0.112252
  N      -6.655876      3.620764      0.762024
  C      -7.088903      4.894981      1.045181
  C      -6.310453      1.919499      6.137308
  C      -7.049348      3.101851      6.803942
  C      -8.256840      3.489509      5.967097
  O      -7.788722      3.944352      4.689896
  C      -8.711646      3.756026      3.680303
  C      -9.667344      4.722865      3.425807
  C     -10.590461      4.504764      2.403870
  N     -10.629416      3.405710      1.665910
  C      -9.717053      2.436576      1.914837
  C      -9.752767      1.237010      1.173816
  C      -8.823657      0.244610      1.453316
  C      -7.855130      0.483391      2.422823
  N      -7.772327      1.603005      3.138581
  C      -8.700870      2.568738      2.909380
  H      -4.032231     -1.152321      5.331208
  H      -4.854295     -0.022109      4.215261
  H      -2.570460     -1.911180      3.425256
  H      -4.302483     -2.189086      3.134581
  H      -3.005112     -1.264818      1.148332
  H      -2.773731      0.249335      2.075179
  H      -6.173893     -1.329059     -0.297354
  H      -6.413329     -0.509008     -2.653251
  H      -3.872867      3.257605     -3.077747
  H      -2.430782      4.580347     -1.488034
  H      -2.209681      3.783990      0.864927
  H      -3.346872      6.179844      5.886771
  H      -4.410683      5.048595      6.762224
  H      -5.728339      6.180284      5.053576
  H      -5.511627      4.486136      4.576983
  H      -3.386157      5.422305      3.266130
  H      -4.300360      6.955611      3.284930
  H      -6.380289      7.656838      2.944095
  H      -8.562058      8.304450      1.993227
  H      -9.894577      5.048766     -0.896310
  H      -8.995385      2.774745     -1.511894
  H      -7.022672      1.915001     -0.294989
  H      -6.667049      0.977928      6.593685
  H      -6.593617      1.908737      5.081150
  H      -6.377432      3.963183      6.855004
  H      -7.383345      2.857630      7.815612
  H      -8.833396      4.293097      6.448801
  H      -8.917711      2.622199      5.826491
  H      -9.682423      5.632262      4.014184
  H     -11.339944      5.252982      2.168577
  H     -10.517125      1.112339      0.418160
  H      -8.830952     -0.696010      0.915786
  H      -7.088745     -0.255544      2.640590
  N      -4.635316      2.716640      3.086364
  N      -5.277658      2.941596      2.036761
  H      -5.063693      3.743047      1.461520
  H      -6.025717      2.310932      1.742308
102
Coordinates from ORCA-job orca E -6484.754965195906
  N      -2.883023      0.491602      4.687570
  Mo     -3.542099      2.331151      4.855383
  N      -4.865069      1.986196      6.234770
  C      -4.399048      1.791089      7.608285
  C      -2.986764      1.215243      7.609265
  N      -2.152479      1.950403      6.635232
  C      -1.043776      1.114310      6.138883
  C      -1.600630      0.038579      5.182942
  C      -1.630825      3.212505      7.206457
  C      -1.680177      4.256477      6.081297
  N      -2.993366      4.152858      5.473445
  H      -0.877044     -0.118445      4.365628
  H      -1.716129     -0.926728      5.707698
  H      -0.354768      1.768806      5.591810
  H      -0.498755      0.649054      6.975722
  H      -1.487129      5.262904      6.480419
  H      -0.897459      4.033202      5.336218
  H      -2.293518      3.542467      8.015025
  H      -0.616113      3.077390      7.609628
  H      -5.060835      1.093373      8.148075
  H      -4.422987      2.749197      8.159376
  H      -3.040673      0.165960      7.297885
  H      -2.542692      1.257080      8.616426
  C      -3.862865     -0.543133      4.442855
  C      -3.484484     -1.451047      3.250657
  C      -3.366923     -0.670830      1.944709
  O      -4.682284     -0.238514      1.545843
  C      -4.804813      0.204884      0.248497
  C      -5.636694     -0.490346     -0.614624
  C      -5.794047     -0.028125     -1.932946
  N      -5.192527      1.044192     -2.425778
  C      -4.380960      1.751163     -1.593582
  C      -3.743237      2.922946     -2.068869
  C      -2.941910      3.648426     -1.206017
  C      -2.783223      3.200065      0.113288
  N      -3.351471      2.108384      0.598595
  C      -4.145457      1.379000     -0.228316
  C      -3.909300      5.250521      5.781204
  C      -4.994729      5.465525      4.709115
  C      -4.407783      5.903823      3.356546
  O      -5.142537      5.365154      2.252695
  C      -6.382304      5.787585      1.894546
  C      -6.949923      7.000630      2.257709
  C      -8.188574      7.358124      1.708159
  N      -8.859908      6.627388      0.829643
  C      -8.331155      5.426532      0.473280
  C      -9.010115      4.640100     -0.490086
  C      -8.501988      3.400887     -0.820791
  C      -7.365744      2.933663     -0.149226
  N      -6.656480      3.633515      0.740111
  C      -7.112529      4.909969      1.022015
  C      -6.305913      1.897694      6.144775
  C      -7.060287      3.067402      6.819477
  C      -8.277453      3.456215      5.998452
  O      -7.824773      3.940336      4.722755
  C      -8.752285      3.774748      3.717608
  C      -9.707875      4.751522      3.504370
  C     -10.643234      4.572346      2.479601
  N     -10.692379      3.497568      1.698125
  C      -9.770907      2.516992      1.906331
  C      -9.799892      1.346305      1.113608
  C      -8.859039      0.348020      1.341678
  C      -7.883084      0.551844      2.321559
  N      -7.804811      1.641395      3.085930
  C      -8.743992      2.612589      2.902497
  H      -3.998777     -1.180727      5.339497
  H      -4.822799     -0.059005      4.216449
  H      -2.519416     -1.938273      3.437467
  H      -4.254287     -2.226004      3.140281
  H      -2.944875     -1.311364      1.154528
  H      -2.723453      0.211611      2.074306
  H      -6.159919     -1.377646     -0.264069
  H      -6.442686     -0.566518     -2.625250
  H      -3.911500      3.225945     -3.098886
  H      -2.439731      4.557084     -1.525354
  H      -2.157166      3.749276      0.818397
  H      -3.340911      6.192347      5.877340
  H      -4.412960      5.060937      6.749205
  H      -5.726976      6.207837      5.054461
  H      -5.519204      4.515340      4.561620
  H      -3.409460      5.464600      3.220076
  H      -4.326805      6.998438      3.277494
  H      -6.450421      7.685294      2.936543
  H      -8.648542      8.307737      1.985036
  H      -9.917292      5.034170     -0.937908
  H      -8.984708      2.771759     -1.563346
  H      -7.004569      1.922616     -0.338554
  H      -6.653665      0.949733      6.598134
  H      -6.585123      1.884378      5.084703
  H      -6.394789      3.937246      6.880164
  H      -7.390470      2.807804      7.832765
  H      -8.856520      4.248920      6.500000
  H      -8.935838      2.585879      5.848569
  H      -9.710002      5.643309      4.126872
  H     -11.387464      5.340737      2.276470
  H     -10.569644      1.250412      0.352743
  H      -8.856461     -0.571179      0.758665
  H      -7.107137     -0.193571      2.499389
  N      -4.571444      2.685545      3.156024
  N      -5.202214      2.908647      2.094310
  H      -4.977474      3.709119      1.522873
  H      -5.942071      2.270140      1.794956
102
Coordinates from ORCA-job orca E -6484.785263695214
  N      -2.937937      0.464972      4.682664
  Mo     -3.569435      2.326376      4.863517
  N      -4.891477      2.010381      6.253092
  C      -4.416852      1.815267      7.627210
  C      -3.017778      1.210217      7.621931
  N      -2.174202      1.925377      6.636001
  C      -1.082334      1.066148      6.131374
  C      -1.658655     -0.001691      5.178590
  C      -1.624837      3.186211      7.197213
  C      -1.663011      4.225804      6.066578
  N      -2.983768      4.152273      5.464387
  H      -0.935595     -0.165636      4.360182
  H      -1.785342     -0.968930      5.700822
  H      -0.386336      1.711935      5.579490
  H      -0.537478      0.594825      6.967027
  H      -1.446526      5.231999      6.459549
  H      -0.886499      3.981984      5.319547
  H      -2.276512      3.530683      8.010482
  H      -0.608822      3.031505      7.595722
  H      -5.088803      1.132173      8.175641
  H      -4.420151      2.777978      8.174038
  H      -3.092577      0.159539      7.315083
  H      -2.564061      1.247949      8.626910
  C      -3.931114     -0.557610      4.417869
  C      -3.550981     -1.450594      3.213195
  C      -3.396934     -0.659052      1.917381
  O      -4.697418     -0.190865      1.497129
  C      -4.802835      0.273106      0.210025
  C      -5.658438     -0.389548     -0.657186
  C      -5.815582      0.091020     -1.972381
  N      -5.193041      1.155811     -2.462856
  C      -4.357203      1.832889     -1.622760
  C      -3.700117      2.999218     -2.089687
  C      -2.877131      3.701035     -1.227287
  C      -2.712134      3.231966      0.088683
  N      -3.297622      2.144844      0.568648
  C      -4.116477      1.439217     -0.260417
  C      -3.887510      5.268229      5.766223
  C      -4.978488      5.507554      4.701670
  C      -4.398554      5.945611      3.347575
  O      -5.151904      5.425474      2.241668
  C      -6.382306      5.863790      1.886607
  C      -6.922345      7.092877      2.244936
  C      -8.157153      7.474065      1.697453
  N      -8.850794      6.750238      0.823553
  C      -8.341983      5.531891      0.477351
  C      -9.038667      4.750723     -0.478790
  C      -8.557469      3.496240     -0.800277
  C      -7.429551      3.007777     -0.124868
  N      -6.700466      3.697862      0.760658
  C      -7.131326      4.990736      1.027331
  C      -6.334337      1.944486      6.159390
  C      -7.068688      3.140048      6.802491
  C      -8.267267      3.498674      5.950208
  O      -7.780100      3.905593      4.656930
  C      -8.696535      3.677697      3.660197
  C      -9.637020      4.646515      3.367521
  C     -10.575965      4.398651      2.354272
  N     -10.641503      3.261745      1.659920
  C      -9.726538      2.289553      1.950119
  C      -9.766717      1.055880      1.255856
  C      -8.835959      0.068946      1.562564
  C      -7.851137      0.342469      2.523941
  N      -7.760250      1.490458      3.197994
  C      -8.694710      2.452886      2.936824
  H      -4.083855     -1.202241      5.307380
  H      -4.883236     -0.058008      4.190286
  H      -2.593152     -1.956167      3.404774
  H      -4.331630     -2.215500      3.083546
  H      -2.973563     -1.299413      1.125975
  H      -2.738222      0.209193      2.067988
  H      -6.203619     -1.268306     -0.311632
  H      -6.486725     -0.428182     -2.662353
  H      -3.874146      3.318026     -3.116992
  H      -2.360098      4.607419     -1.539329
  H      -2.066466      3.766648      0.792401
  H      -3.300549      6.200760      5.862445
  H      -4.391714      5.087030      6.736505
  H      -5.699422      6.260367      5.058091
  H      -5.522086      4.567733      4.552699
  H      -3.408091      5.492458      3.196604
  H      -4.301365      7.041230      3.274058
  H      -6.400328      7.771072      2.918189
  H      -8.593306      8.438619      1.972786
  H      -9.940177      5.162337     -0.929094
  H      -9.056359      2.870148     -1.539084
  H      -7.092263      1.984971     -0.309535
  H      -6.694145      1.006817      6.626717
  H      -6.612542      1.917012      5.097203
  H      -6.388752      4.003215      6.840746
  H      -7.412002      2.923764      7.824477
  H      -8.853659      4.318001      6.401362
  H      -8.928740      2.624328      5.829572
  H      -9.620295      5.585693      3.922288
  H     -11.307730      5.164276      2.089279
  H     -10.540930      0.906968      0.503861
  H      -8.842483     -0.896816      1.055066
  H      -7.081245     -0.398140      2.757266
  N      -4.560588      2.677646      3.244877
  N      -5.191675      2.908464      2.177496
  H      -4.948145      3.696324      1.595820
  H      -5.947461      2.279516      1.890944
102
Coordinates from ORCA-job orca E -6484.807366663158
  N      -2.898103      0.449907      4.696700
  Mo     -3.556684      2.316438      4.877805
  N      -4.881219      1.990244      6.267224
  C      -4.400905      1.802982      7.642355
  C      -2.996025      1.214461      7.642616
  N      -2.156888      1.937087      6.655184
  C      -1.053964      1.087265      6.153504
  C      -1.613262      0.008847      5.203615
  C      -1.621137      3.210919      7.208138
  C      -1.666130      4.241167      6.069465
  N      -2.984103      4.162450      5.460588
  H      -0.881460     -0.147146      4.390009
  H      -1.727418     -0.959865      5.728083
  H      -0.365276      1.742449      5.601929
  H      -0.503193      0.627361      6.992621
  H      -1.456148      5.252906      6.454805
  H      -0.883170      3.995419      5.328941
  H      -2.277562      3.552414      8.019615
  H      -0.604072      3.065806      7.610397
  H      -5.067223      1.114023      8.191477
  H      -4.415888      2.767433      8.187300
  H      -3.055336      0.161825      7.336816
  H      -2.543692      1.259643      8.648841
  C      -3.867491     -0.596118      4.423073
  C      -3.466030     -1.484346      3.223432
  C      -3.320955     -0.700269      1.925641
  O      -4.631516     -0.256911      1.501895
  C      -4.751315      0.199937      0.219002
  C      -5.617987     -0.467853     -0.633441
  C      -5.795241      0.004599     -1.949839
  N      -5.189246      1.072238     -2.455836
  C      -4.347792      1.757901     -1.625496
  C      -3.715395      2.933969     -2.102167
  C      -2.890020      3.648819     -1.254737
  C      -2.691551      3.178945      0.058895
  N      -3.252619      2.083546      0.549706
  C      -4.078986      1.369080     -0.266135
  C      -3.896640      5.276637      5.746425
  C      -4.986108      5.512521      4.681095
  C      -4.421443      5.963901      3.327057
  O      -5.177104      5.440405      2.219078
  C      -6.416662      5.848090      1.866141
  C      -6.985220      7.063821      2.227870
  C      -8.229535      7.417690      1.680968
  N      -8.907517      6.682320      0.802030
  C      -8.364844      5.477358      0.453180
  C      -9.039304      4.684754     -0.509114
  C      -8.531385      3.441558     -0.830959
  C      -7.398588      2.972404     -0.148346
  N      -6.688950      3.673999      0.744423
  C      -7.144977      4.958403      1.005686
  C      -6.325792      1.907098      6.169089
  C      -7.078724      3.080679      6.833982
  C      -8.297958      3.450203      6.012987
  O      -7.844455      3.916449      4.724326
  C      -8.776387      3.739685      3.730996
  C      -9.722906      4.723325      3.509594
  C     -10.671162      4.541630      2.490122
  N     -10.740732      3.457005      1.717999
  C      -9.815172      2.473043      1.932716
  C      -9.841609      1.300704      1.138669
  C      -8.894787      0.306187      1.353648
  C      -7.909911      0.509730      2.335682
  N      -7.830827      1.597074      3.103653
  C      -8.776945      2.567371      2.924265
  H      -4.010772     -1.238593      5.315754
  H      -4.829696     -0.117740      4.192293
  H      -2.498508     -1.972257      3.420254
  H      -4.231123     -2.267017      3.095316
  H      -2.885091     -1.336963      1.137501
  H      -2.678866      0.181250      2.072387
  H      -6.158798     -1.345542     -0.274137
  H      -6.472899     -0.527338     -2.625688
  H      -3.913644      3.250697     -3.127019
  H      -2.393447      4.566229     -1.571725
  H      -2.040134      3.727216      0.748675
  H      -3.311807      6.211363      5.846726
  H      -4.406098      5.096541      6.714685
  H      -5.711519      6.258064      5.044507
  H      -5.525908      4.570408      4.530161
  H      -3.426994      5.524747      3.161010
  H      -4.338167      7.061750      3.259346
  H      -6.476322      7.750707      2.904174
  H      -8.686175      8.372207      1.962361
  H      -9.948469      5.079716     -0.962232
  H      -9.016776      2.807723     -1.573379
  H      -7.043262      1.954810     -0.333034
  H      -6.668489      0.958905      6.628907
  H      -6.602502      1.880191      5.106426
  H      -6.410615      3.953610      6.888193
  H      -7.408041      2.835321      7.855405
  H      -8.883101      4.248208      6.503526
  H      -8.955520      2.574847      5.874165
  H      -9.698480      5.626035      4.122698
  H     -11.398490      5.330640      2.281517
  H     -10.616591      1.207632      0.376508
  H      -8.883197     -0.611567      0.761349
  H      -7.128621     -0.239281      2.498421
  N      -4.497748      2.635117      3.325677
  N      -5.119460      2.858894      2.240683
  H      -4.875678      3.644617      1.655772
  H      -5.860360      2.219938      1.946939
102
Coordinates from ORCA-job orca E -6484.820996107603
  N      -2.899859      0.440893      4.701807
  Mo     -3.569225      2.314647      4.899827
  N      -4.895074      1.992313      6.293679
  C      -4.409018      1.809304      7.666548
  C      -3.005599      1.214895      7.666925
  N      -2.162656      1.931985      6.678329
  C      -1.061908      1.081228      6.173982
  C      -1.617543      0.006552      5.219602
  C      -1.627012      3.211463      7.222283
  C      -1.670117      4.235847      6.077456
  N      -2.985222      4.168634      5.461810
  H      -0.877931     -0.144422      4.411365
  H      -1.730276     -0.965734      5.738232
  H      -0.373524      1.739906      5.626206
  H      -0.509116      0.622126      7.012245
  H      -1.454228      5.248912      6.456857
  H      -0.884456      3.982159      5.342444
  H      -2.283524      3.554201      8.033125
  H      -0.610953      3.065411      7.626918
  H      -5.077950      1.124632      8.217847
  H      -4.420732      2.774989      8.209010
  H      -3.065508      0.162177      7.361443
  H      -2.552046      1.260150      8.672563
  C      -3.843756     -0.619514      4.393878
  C      -3.422845     -1.488319      3.189763
  C      -3.275342     -0.693812      1.903321
  O      -4.594669     -0.265079      1.487572
  C      -4.734061      0.198291      0.212465
  C      -5.629037     -0.454475     -0.622657
  C      -5.838566      0.028549     -1.928535
  N      -5.241494      1.096285     -2.441783
  C      -4.375793      1.768240     -1.625997
  C      -3.757335      2.948189     -2.107483
  C      -2.908439      3.653603     -1.278104
  C      -2.669640      3.166940      0.023522
  N      -3.216822      2.067205      0.520010
  C      -4.068485      1.365773     -0.279969
  C      -3.893096      5.285335      5.731451
  C      -4.975466      5.511470      4.659900
  C      -4.410682      5.960784      3.308369
  O      -5.161519      5.441618      2.191035
  C      -6.399116      5.865940      1.847904
  C      -6.950917      7.084796      2.222775
  C      -8.193092      7.460042      1.684352
  N      -8.885214      6.745802      0.801114
  C      -8.357376      5.539068      0.439325
  C      -9.039022      4.762071     -0.530030
  C      -8.544713      3.516507     -0.859979
  C      -7.419495      3.029044     -0.175680
  N      -6.711890      3.718379      0.721935
  C      -7.146702      4.998974      0.985080
  C      -6.339706      1.908485      6.189158
  C      -7.094647      3.090298      6.837143
  C      -8.316266      3.450555      6.014420
  O      -7.861377      3.893029      4.716484
  C      -8.787061      3.707232      3.716994
  C      -9.722610      4.695667      3.461332
  C     -10.664618      4.497380      2.440787
  N     -10.742939      3.394647      1.698741
  C      -9.825648      2.411210      1.942213
  C      -9.854774      1.223472      1.172721
  C      -8.912975      0.230813      1.408793
  C      -7.930252      0.449835      2.389184
  N      -7.849139      1.550671      3.135890
  C      -8.790908      2.519649      2.934722
  H      -3.984241     -1.271545      5.279837
  H      -4.812745     -0.156158      4.161352
  H      -2.452526     -1.969137      3.390647
  H      -4.175071     -2.280951      3.046590
  H      -2.832051     -1.317965      1.109831
  H      -2.643738      0.193779      2.057470
  H      -6.167985     -1.329537     -0.255600
  H      -6.537997     -0.496181     -2.587417
  H      -3.986664      3.275391     -3.122284
  H      -2.422157      4.574888     -1.599673
  H      -1.996833      3.709800      0.696088
  H      -3.304089      6.217366      5.834570
  H      -4.412305      5.116660      6.696887
  H      -5.703588      6.253182      5.022286
  H      -5.517501      4.569814      4.509107
  H      -3.414739      5.524728      3.145991
  H      -4.329426      7.058350      3.240253
  H      -6.428573      7.756676      2.903341
  H      -8.634224      8.417349      1.979645
  H      -9.943039      5.171087     -0.980617
  H      -9.036480      2.894127     -1.607107
  H      -7.075093      2.008766     -0.364419
  H      -6.682062      0.964232      6.657225
  H      -6.610028      1.867055      5.125638
  H      -6.426546      3.963923      6.880126
  H      -7.422233      2.859165      7.862366
  H      -8.900067      4.257395      6.491442
  H      -8.976362      2.575326      5.889114
  H      -9.690122      5.615023      4.047764
  H     -11.375794      5.293004      2.204368
  H     -10.627039      1.120447      0.409311
  H      -8.900206     -0.697125      0.833752
  H      -7.152892     -0.300249      2.564850
  N      -4.483907      2.623598      3.396138
  N      -5.100491      2.851200      2.298034
  H      -4.847095      3.631990      1.704356
  H      -5.845128      2.220316      2.005504
102
Coordinates from ORCA-job orca E -6484.830042734548
  N      -2.886602      0.424620      4.720132
  Mo     -3.579329      2.298150      4.929165
  N      -4.908125      1.984724      6.326619
  C      -4.418871      1.814260      7.698530
  C      -3.013873      1.220027      7.704322
  N      -2.167173      1.930165      6.714292
  C      -1.063750      1.082016      6.213137
  C      -1.607515      0.004095      5.256661
  C      -1.641130      3.220857      7.241163
  C      -1.679984      4.229082      6.081845
  N      -2.988233      4.164502      5.452488
  H      -0.856017     -0.144497      4.458287
  H      -1.716990     -0.969472      5.774185
  H      -0.377177      1.744830      5.668208
  H      -0.508425      0.629914      7.053602
  H      -1.462064      5.246602      6.448591
  H      -0.887199      3.964826      5.358237
  H      -2.303115      3.567941      8.045694
  H      -0.627356      3.082965      7.654050
  H      -5.088752      1.134424      8.254748
  H      -4.431268      2.783504      8.234255
  H      -3.069111      0.165699      7.403494
  H      -2.562638      1.271576      8.710677
  C      -3.795120     -0.653677      4.373925
  C      -3.341448     -1.496537      3.166827
  C      -3.199061     -0.685535      1.891538
  O      -4.529709     -0.282330      1.479965
  C      -4.692493      0.187562      0.210487
  C      -5.620759     -0.450182     -0.600744
  C      -5.866999      0.040360     -1.895336
  N      -5.279768      1.106676     -2.420127
  C      -4.386372      1.766894     -1.626669
  C      -3.785244      2.950342     -2.118476
  C      -2.908848      3.648589     -1.313675
  C      -2.621968      3.147378     -0.026899
  N      -3.152006      2.043255      0.479873
  C      -4.034364      1.352570     -0.295790
  C      -3.890927      5.287891      5.695487
  C      -4.966647      5.500659      4.617296
  C      -4.400773      5.942996      3.266476
  O      -5.147855      5.422000      2.143954
  C      -6.387867      5.856446      1.819044
  C      -6.926740      7.074603      2.212066
  C      -8.172462      7.464675      1.692162
  N      -8.880703      6.767999      0.810382
  C      -8.367079      5.561916      0.429500
  C      -9.061680      4.796827     -0.540704
  C      -8.580033      3.549924     -0.883591
  C      -7.453711      3.048878     -0.209507
  N      -6.744101      3.729915      0.686157
  C      -7.158043      5.006555      0.958673
  C      -6.351942      1.896854      6.212343
  C      -7.110345      3.079592      6.852607
  C      -8.338279      3.432866      6.036353
  O      -7.891059      3.877395      4.736724
  C      -8.821188      3.705084      3.738743
  C      -9.749343      4.702216      3.480678
  C     -10.687802      4.514058      2.455935
  N     -10.769433      3.416807      1.708300
  C      -9.856384      2.430712      1.947248
  C      -9.880458      1.256090      1.158927
  C      -8.938667      0.262449      1.382628
  C      -7.964006      0.464395      2.374130
  N      -7.889179      1.551763      3.140803
  C      -8.828226      2.524132      2.947256
  H      -3.931513     -1.318119      5.251434
  H      -4.774039     -0.213904      4.136530
  H      -2.364714     -1.961575      3.374682
  H      -4.071308     -2.305926      3.005561
  H      -2.742506     -1.290986      1.091623
  H      -2.586764      0.213378      2.054825
  H      -6.157152     -1.320299     -0.221887
  H      -6.590127     -0.477200     -2.533227
  H      -4.051220      3.286029     -3.121169
  H      -2.436541      4.573336     -1.645900
  H      -1.924616      3.685455      0.623363
  H      -3.296487      6.216944      5.795619
  H      -4.422241      5.140733      6.658576
  H      -5.696439      6.240865      4.977378
  H      -5.513059      4.560008      4.471985
  H      -3.403150      5.509230      3.112048
  H      -4.321290      7.039797      3.192370
  H      -6.391011      7.734632      2.893024
  H      -8.601475      8.421535      2.005155
  H      -9.966625      5.215677     -0.979756
  H      -9.082923      2.935312     -1.629619
  H      -7.118589      2.027404     -0.403837
  H      -6.691850      0.953887      6.684279
  H      -6.617652      1.846195      5.148065
  H      -6.445566      3.956029      6.891458
  H      -7.431571      2.853040      7.880632
  H      -8.922680      4.237966      6.514797
  H      -8.996542      2.555955      5.914242
  H      -9.712209      5.621641      4.065687
  H     -11.388379      5.318495      2.217298
  H     -10.646650      1.167225      0.388120
  H      -8.919216     -0.652892      0.789986
  H      -7.187963     -0.289527      2.539459
  N      -4.489804      2.590532      3.433234
  N      -5.098371      2.814011      2.324175
  H      -4.841535      3.589048      1.721886
  H      -5.844453      2.186894      2.029957
102
Coordinates from ORCA-job orca E -6484.837119743810
  N      -2.868482      0.410216      4.736568
  Mo     -3.587455      2.280114      4.959090
  N      -4.920312      1.974124      6.357691
  C      -4.430957      1.814241      7.729528
  C      -3.025137      1.221115      7.740332
  N      -2.173602      1.926577      6.751057
  C      -1.065493      1.083250      6.253460
  C      -1.593805      0.002854      5.293867
  C      -1.658821      3.227888      7.262470
  C      -1.688803      4.219774      6.090320
  N      -2.988942      4.157133      5.444688
  H      -0.828830     -0.144603      4.507234
  H      -1.701342     -0.971816      5.811184
  H      -0.380059      1.751350      5.713208
  H      -0.508703      0.636990      7.096597
  H      -1.469175      5.241181      6.446708
  H      -0.887169      3.946041      5.379666
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  H      -4.443931      2.786149      8.260816
  H      -3.075484      0.165640      7.441787
  H      -2.577786      1.276947      8.748663
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  C      -3.125659     -0.677082      1.878890
  O      -4.472076     -0.313018      1.476036
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  C      -8.353977      3.418342      6.046320
  O      -7.909282      3.861547      4.745552
  C      -8.841732      3.699208      3.749566
  C      -9.762213      4.703340      3.487387
  C     -10.700618      4.520623      2.461267
  N     -10.788924      3.423201      1.713999
  C      -9.879332      2.434080      1.950996
  C      -9.903115      1.265066      1.153453
  C      -8.960734      0.271098      1.369841
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  H      -3.868242     -1.364845      5.221936
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  H      -2.264097     -1.946612      3.357616
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  H      -3.284072      6.214086      5.764638
  H      -4.426472      5.160979      6.628076
  H      -5.685745      6.239496      4.949622
  H      -5.511549      4.562086      4.443721
  H      -3.391517      5.506131      3.087277
  H      -4.306617      7.037157      3.163399
  H      -6.372912      7.728143      2.903135
  H      -8.586729      8.432245      2.042130
  H      -9.969976      5.281047     -0.999176
  H      -9.094674      3.007962     -1.688946
  H      -7.130982      2.073209     -0.478476
  H      -6.704722      0.943061      6.706640
  H      -6.621351      1.824694      5.165376
  H      -6.460430      3.948821      6.895173
  H      -7.441560      2.850917      7.891336
  H      -8.938813      4.224096      6.523511
  H      -9.011824      2.540435      5.927190
  H      -9.720483      5.625884      4.067421
  H     -11.392951      5.332058      2.219852
  H     -10.667431      1.184235      0.379571
  H      -8.939108     -0.637840      0.767267
  H      -7.215541     -0.294428      2.526996
  N      -4.495421      2.558945      3.455449
  N      -5.086564      2.781765      2.334773
  H      -4.828786      3.559442      1.734641
  H      -5.836478      2.161414      2.033375
102
Coordinates from ORCA-job orca E -6484.842642694266
  N      -2.859524      0.391933      4.757210
  Mo     -3.603382      2.254816      4.988986
  N      -4.932784      1.963662      6.395452
  C      -4.439861      1.821551      7.766902
  C      -3.033103      1.231961      7.778423
  N      -2.182591      1.928792      6.781724
  C      -1.072029      1.086673      6.288190
  C      -1.588435     -0.002039      5.333533
  C      -1.675938      3.241962      7.268970
  C      -1.697771      4.208807      6.078416
  N      -2.992606      4.141796      5.422817
  H      -0.812921     -0.153680      4.557393
  H      -1.694567     -0.974563      5.856592
  H      -0.389293      1.756169      5.745999
  H      -0.511403      0.650014      7.134319
  H      -1.474416      5.235886      6.417132
  H      -0.890656      3.920590      5.379390
  H      -2.350248      3.604015      8.057138
  H      -0.666631      3.124785      7.700802
  H      -5.107235      1.150197      8.337990
  H      -4.452325      2.798569      8.289344
  H      -3.079918      0.173998      7.487512
  H      -2.584877      1.296887      8.786345
  C      -3.696525     -0.718531      4.337051
  C      -3.171714     -1.501246      3.122046
  C      -3.056895     -0.649980      1.871121
  O      -4.411842     -0.312389      1.466521
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  C      -5.617591     -0.433285     -0.545354
  C      -5.933774      0.074284     -1.817508
  N      -5.359444      1.136481     -2.367731
  C      -4.408959      1.772414     -1.621336
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  C      -2.529185      3.110635     -0.117268
  N      -3.036187      2.002220      0.405922
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  C      -3.878894      5.286213      5.621425
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  C      -7.143636      3.057643      6.876292
  C      -8.378117      3.393231      6.063173
  O      -7.937634      3.837606      4.761077
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  C      -9.777831      4.705806      3.500221
  C     -10.711402      4.539314      2.465433
  N     -10.803073      3.449276      1.706736
  C      -9.903252      2.450689      1.941963
  C      -9.924618      1.292792      1.126886
  C      -8.990833      0.290763      1.341346
  C      -8.034799      0.460064      2.358757
  N      -7.967559      1.527067      3.155199
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  H      -3.821129     -1.414926      5.192340
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  H      -6.147970     -1.296578     -0.141899
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  H      -4.155855      3.311110     -3.111084
  H      -2.440114      4.563373     -1.727611
  H      -1.783551      3.633173      0.491433
  H      -3.266368      6.205762      5.703957
  H      -4.422135      5.187170      6.585805
  H      -5.670664      6.237708      4.900787
  H      -5.516515      4.555820      4.413251
  H      -3.384120      5.459320      3.044855
  H      -4.279676      7.002064      3.101113
  H      -6.319292      7.719395      2.873732
  H      -8.532674      8.458762      2.047881
  H     -10.021870      5.321191     -0.962209
  H      -9.196247      3.030454     -1.660477
  H      -7.223259      2.069681     -0.484921
  H      -6.716709      0.930580      6.744337
  H      -6.627228      1.796906      5.194979
  H      -6.486032      3.940902      6.904149
  H      -7.456949      2.846540      7.910943
  H      -8.966542      4.197490      6.539022
  H      -9.031652      2.511367      5.947665
  H      -9.731896      5.627077      4.082699
  H     -11.396024      5.358538      2.226829
  H     -10.678607      1.229507      0.340917
  H      -8.966379     -0.608471      0.723877
  H      -7.271513     -0.308613      2.520234
  N      -4.520699      2.509854      3.480780
  N      -5.101851      2.719219      2.353670
  H      -4.845055      3.490868      1.743315
  H      -5.858527      2.104980      2.057938
102
Coordinates from ORCA-job orca E -6484.847104018000
  N      -2.857844      0.378513      4.768412
  Mo     -3.623155      2.231532      5.012159
  N      -4.948918      1.954119      6.424678
  C      -4.455064      1.822416      7.795945
  C      -3.049162      1.234016      7.806696
  N      -2.200330      1.926246      6.805461
  C      -1.086947      1.086052      6.315613
  C      -1.592855     -0.007978      5.364189
  C      -1.700911      3.247555      7.275145
  C      -1.709276      4.193873      6.070323
  N      -2.997910      4.123324      5.401963
  H      -0.807306     -0.166394      4.599246
  H      -1.702741     -0.977688      5.892629
  H      -0.405017      1.756578      5.773720
  H      -0.525067      0.655135      7.164126
  H      -1.482984      5.224572      6.396276
  H      -0.895819      3.894414      5.383271
  H      -2.381984      3.619182      8.053083
  H      -0.694834      3.139672      7.717852
  H      -5.120431      1.155527      8.374995
  H      -4.465165      2.802390      8.313168
  H      -3.094595      0.175004      7.519131
  H      -2.599960      1.303004      8.814252
  C      -3.665333     -0.741747      4.314909
  C      -3.106111     -1.492927      3.095303
  C      -3.009591     -0.623128      1.856078
  O      -4.373930     -0.325465      1.447727
  C      -4.603339      0.167444      0.202407
  C      -5.615608     -0.430388     -0.539387
  C      -5.949464      0.080210     -1.805943
  N      -5.377056      1.138979     -2.366075
  C      -4.409986      1.768077     -1.634826
  C      -3.832775      2.953719     -2.151276
  C      -2.884165      3.626712     -1.406880
  C      -2.496761      3.093151     -0.159642
  N      -2.998535      1.984416      0.367313
  C      -3.958367      1.323796     -0.342855
  C      -3.874129      5.278915      5.585627
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  C      -8.139454      7.493343      1.720091
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  O      -7.952329      3.837100      4.794844
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  C      -9.792511      4.711250      3.537354
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  N     -10.823978      3.451915      1.747603
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  C      -8.998850      0.300028      1.371747
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  N      -7.985971      1.531754      3.194925
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  H      -3.784494     -1.456336      5.155965
  H      -4.670814     -0.374149      4.063723
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  H      -6.145356     -1.290359     -0.127467
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  H      -4.176696      3.311440     -3.122945
  H      -2.432747      4.552417     -1.766105
  H      -1.737341      3.609652      0.437246
  H      -3.252493      6.193473      5.655058
  H      -4.414741      5.201332      6.553556
  H      -5.660722      6.235074      4.869393
  H      -5.522949      4.551478      4.387993
  H      -3.383142      5.433776      3.011053
  H      -4.263920      6.984284      3.065476
  H      -6.330947      7.697539      2.893011
  H      -8.545507      8.443475      2.083555
  H     -10.013194      5.368966     -1.004715
  H      -9.178303      3.096084     -1.747472
  H      -7.211815      2.112336     -0.578197
  H      -6.737689      0.928202      6.775800
  H      -6.643255      1.789573      5.223659
  H      -6.493933      3.940089      6.925294
  H      -7.458824      2.851667      7.941512
  H      -8.977821      4.195214      6.575205
  H      -9.042807      2.509012      5.982636
  H      -9.745268      5.636004      4.114347
  H     -11.408871      5.365966      2.262155
  H     -10.693087      1.233770      0.375331
  H      -8.968253     -0.595484      0.748431
  H      -7.280403     -0.298435      2.552986
  N      -4.540596      2.468467      3.492897
  N      -5.098771      2.674335      2.354751
  H      -4.841992      3.453754      1.752867
  H      -5.861319      2.069641      2.050552
102
Coordinates from ORCA-job orca E -6484.851013404834
  N      -2.853151      0.367495      4.784775
  Mo     -3.642732      2.206449      5.040597
  N      -4.961378      1.942482      6.460627
  C      -4.465805      1.825283      7.832260
  C      -3.058528      1.241432      7.841509
  N      -2.215230      1.928651      6.831637
  C      -1.098496      1.090072      6.346188
  C      -1.595020     -0.011632      5.400955
  C      -1.722806      3.258062      7.281530
  C      -1.718175      4.180000      6.059898
  N      -3.001836      4.101991      5.380718
  H      -0.800155     -0.179171      4.647493
  H      -1.710437     -0.976702      5.937316
  H      -0.418170      1.760356      5.802153
  H      -0.534788      0.666387      7.197293
  H      -1.489728      5.215271      6.369324
  H      -0.899549      3.867675      5.384825
  H      -2.410965      3.642079      8.047112
  H      -0.720340      3.160719      7.735730
  H      -5.126481      1.161998      8.420926
  H      -4.476686      2.809394      8.341754
  H      -3.101870      0.180723      7.559608
  H      -2.605680      1.316863      8.847213
  C      -3.628983     -0.760723      4.294497
  C      -3.033437     -1.472476      3.067787
  C      -2.955628     -0.579621      1.844949
  O      -4.328077     -0.324384      1.433070
  C      -4.576166      0.176775      0.196679
  C      -5.610015     -0.409879     -0.524651
  C      -5.966252      0.106087     -1.782759
  N      -5.396272      1.159808     -2.354620
  C      -4.409346      1.779800     -1.642395
  C      -3.834748      2.962469     -2.168019
  C      -2.867589      3.628760     -1.441678
  C      -2.459184      3.091173     -0.203034
  N      -2.956766      1.983978      0.330853
  C      -3.934670      1.330000     -0.360369
  C      -3.865731      5.269810      5.547434
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  C      -4.356897      5.853449      3.115012
  O      -5.128982      5.353919      1.996182
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  C      -6.852378      7.066056      2.180750
  C      -8.103557      7.511992      1.712562
  N      -8.861020      6.872926      0.828915
  C      -8.396567      5.665194      0.389674
  C      -9.136988      4.949850     -0.584733
  C      -8.705710      3.701129     -0.982207
  C      -7.574481      3.141860     -0.356173
  N      -6.832486      3.780373      0.542052
  C      -7.190340      5.056394      0.868125
  C      -6.404725      1.848445      6.323331
  C      -7.171676      3.046249      6.924201
  C      -8.410483      3.370150      6.114113
  O      -7.972619      3.818941      4.812602
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  C      -9.796563      4.714447      3.542789
  C     -10.723257      4.558994      2.498691
  N     -10.819229      3.471715      1.735288
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  C      -9.942633      1.313937      1.146691
  C      -9.013159      0.308150      1.364796
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  H      -3.741221     -1.497106      5.117357
  H      -4.640492     -0.413860      4.039073
  H      -2.021301     -1.844936      3.294991
  H      -3.652053     -2.353918      2.831523
  H      -2.430475     -1.079490      1.015194
  H      -2.457491      0.373973      2.062061
  H      -6.137384     -1.266965     -0.103683
  H      -6.769562     -0.377177     -2.349007
  H      -4.195565      3.323878     -3.132249
  H      -2.418172      4.552158     -1.809618
  H      -1.684625      3.601311      0.379821
  H      -3.233151      6.178206      5.596747
  H      -4.400882      5.219101      6.520032
  H      -5.642083      6.233012      4.825585
  H      -5.526047      4.542776      4.364068
  H      -3.376447      5.377486      2.975429
  H      -4.229231      6.943848      3.014537
  H      -6.282262      7.689994      2.868286
  H      -8.490363      8.468696      2.079831
  H     -10.043798      5.407777     -0.981913
  H      -9.247914      3.121633     -1.730610
  H      -7.277196      2.117068     -0.588093
  H      -6.753070      0.917260      6.814062
  H      -6.651013      1.767874      5.256232
  H      -6.517796      3.933009      6.939748
  H      -7.475382      2.848395      7.964698
  H      -9.004920      4.170084      6.590162
  H      -9.056452      2.482497      5.999199
  H      -9.748620      5.638960      4.120069
  H     -11.398351      5.385099      2.256402
  H     -10.682840      1.263004      0.346676
  H      -8.979329     -0.582270      0.734309
  H      -7.328105     -0.319847      2.579290
  N      -4.569452      2.419000      3.521694
  N      -5.115556      2.612400      2.375444
  H      -4.863206      3.394510      1.773141
  H      -5.886893      2.016483      2.074367
102
Coordinates from ORCA-job orca E -6484.854396359509
  N      -2.853328      0.357643      4.797044
  Mo     -3.664816      2.181312      5.062806
  N      -4.976383      1.931994      6.489925
  C      -4.479862      1.827384      7.862166
  C      -3.071407      1.246980      7.870975
  N      -2.234529      1.929420      6.852488
  C      -1.114616      1.091065      6.373379
  C      -1.604683     -0.018237      5.435903
  C      -1.747574      3.265081      7.284737
  C      -1.727536      4.163328      6.047023
  N      -3.006285      4.077586      5.356506
  H      -0.801005     -0.199104      4.695099
  H      -1.731010     -0.976648      5.981939
  H      -0.434492      1.759049      5.826686
  H      -0.551055      0.673963      7.227811
  H      -1.498052      5.202733      6.340539
  H      -0.903925      3.838810      5.384165
  H      -2.444347      3.662906      8.035238
  H      -0.750465      3.176693      7.752915
  H      -5.136997      1.167978      8.458966
  H      -4.491828      2.815567      8.363561
  H      -3.114154      0.184701      7.594550
  H      -2.614133      1.328081      8.874216
  C      -3.599466     -0.775446      4.271038
  C      -2.967828     -1.448064      3.040153
  C      -2.907087     -0.533277      1.833245
  O      -4.284609     -0.321221      1.412382
  C      -4.548586      0.189678      0.184779
  C      -5.598325     -0.389203     -0.520379
  C      -5.970686      0.128848     -1.772383
  N      -5.403168      1.178021     -2.354208
  C      -4.403095      1.793147     -1.656780
  C      -3.831827      2.973181     -2.191053
  C      -2.853184      3.637494     -1.479132
  C      -2.430096      3.100428     -0.245307
  N      -2.923326      1.994646      0.295274
  C      -3.911640      1.341786     -0.381498
  C      -3.859270      5.256091      5.509595
  C      -4.932786      5.443294      4.434980
  C      -4.345198      5.809158      3.076405
  O      -5.127607      5.312756      1.965145
  C      -6.352498      5.827421      1.706850
  C      -6.825018      7.050346      2.164586
  C      -8.073550      7.513134      1.705502
  N      -8.845066      6.886791      0.825037
  C      -8.398261      5.674993      0.378369
  C      -9.152784      4.970748     -0.593047
  C      -8.735309      3.719399     -0.997569
  C      -7.604171      3.148224     -0.382589
  N      -6.849392      3.775717      0.512895
  C      -7.196267      5.051872      0.846574
  C      -6.420871      1.840524      6.354543
  C      -7.186124      3.041291      6.952149
  C      -8.427895      3.360023      6.143971
  O      -7.992028      3.815542      4.844228
  C      -8.926101      3.689868      3.846987
  C      -9.805652      4.723620      3.565381
  C     -10.724832      4.574023      2.513541
  N     -10.818463      3.489938      1.745478
  C      -9.937131      2.476825      1.990815
  C      -9.942202      1.331849      1.155592
  C      -9.019313      0.321492      1.381093
  C      -8.105971      0.458235      2.442368
  N      -8.063296      1.507233      3.264346
  C      -8.956043      2.515131      3.041453
  H      -3.707146     -1.532334      5.075460
  H      -4.614385     -0.445401      4.008501
  H      -1.947412     -1.792555      3.273585
  H      -3.554740     -2.345021      2.782008
  H      -2.357962     -1.000092      1.000009
  H      -2.444622      0.432647      2.070990
  H      -6.123600     -1.243875     -0.092128
  H      -6.786211     -0.348638     -2.325946
  H      -4.204593      3.334969     -3.150538
  H      -2.406466      4.559251     -1.854389
  H      -1.646701      3.608337      0.327449
  H      -3.217428      6.158920      5.536991
  H      -4.385862      5.230206      6.487614
  H      -5.628446      6.223175      4.780587
  H      -5.528927      4.525440      4.340432
  H      -3.372809      5.315695      2.941850
  H      -4.199408      6.896401      2.965355
  H      -6.244400      7.665544      2.851124
  H      -8.445947      8.473132      2.078785
  H     -10.058265      5.438272     -0.981801
  H      -9.287656      3.146579     -1.743646
  H      -7.317327      2.122255     -0.621101
  H      -6.772393      0.912027      6.847823
  H      -6.667071      1.758721      5.287627
  H      -6.533991      3.929472      6.961306
  H      -7.484679      2.848449      7.994975
  H      -9.027173      4.154988      6.622089
  H      -9.067782      2.468372      6.026297
  H      -9.758506      5.648487      4.142087
  H     -11.396044      5.402519      2.268519
  H     -10.670381      1.288394      0.344256
  H      -8.978459     -0.564240      0.744468
  H      -7.363994     -0.327030      2.625613
  N      -4.600996      2.370724      3.543891
  N      -5.135342      2.550695      2.388384
  H      -4.890766      3.339548      1.789773
  H      -5.915627      1.964828      2.091662
102
Coordinates from ORCA-job orca E -6484.857379103861
  N      -2.852403      0.350486      4.805965
  Mo     -3.685591      2.158127      5.082787
  N      -4.991072      1.921620      6.515697
  C      -4.494551      1.827509      7.888938
  C      -3.084942      1.250102      7.898220
  N      -2.253894      1.928387      6.872101
  C      -1.130470      1.090057      6.399687
  C      -1.615400     -0.025204      5.469294
  C      -1.771586      3.268809      7.290019
  C      -1.734918      4.145611      6.038566
  N      -3.008511      4.053224      5.336119
  H      -0.802961     -0.221349      4.742267
  H      -1.756455     -0.976214      6.024807
  H      -0.449541      1.755466      5.851218
  H      -0.568503      0.678087      7.257648
  H      -1.505339      5.188585      6.318144
  H      -0.906387      3.810427      5.387676
  H      -2.478238      3.679924      8.023909
  H      -0.781226      3.187623      7.774063
  H      -5.149291      1.171112      8.491578
  H      -4.508580      2.819226      8.383040
  H      -3.127746      0.186531      7.626353
  H      -2.623293      1.335740      8.899006
  C      -3.568318     -0.786452      4.244108
  C      -2.901494     -1.420443      3.011292
  C      -2.860922     -0.486074      1.819190
  O      -4.242089     -0.322487      1.389068
  C      -4.525821      0.199260      0.172435
  C      -5.588400     -0.375971     -0.517102
  C      -5.979464      0.144253     -1.762063
  N      -5.419146      1.192394     -2.352449
  C      -4.409199      1.806288     -1.668697
  C      -3.845292      2.986176     -2.210665
  C      -2.858359      3.651857     -1.512322
  C      -2.420320      3.116788     -0.282675
  N      -2.905196      2.010276      0.263604
  C      -3.899725      1.354513     -0.400516
  C      -3.852345      5.241023      5.478936
  C      -4.926408      5.422993      4.406060
  C      -4.332100      5.768068      3.045141
  O      -5.123495      5.276071      1.939574
  C      -6.340619      5.810938      1.684374
  C      -6.794408      7.039553      2.145818
  C      -8.039370      7.518208      1.693007
  N      -8.823800      6.902557      0.816592
  C      -8.394561      5.685931      0.365453
  C      -9.162634      4.991281     -0.602345
  C      -8.758130      3.737191     -1.012371
  C      -7.627236      3.155195     -0.407937
  N      -6.860360      3.772492      0.484802
  C      -7.197154      5.049242      0.825185
  C      -6.436774      1.834026      6.382532
  C      -7.198558      3.038965      6.976278
  C      -8.442370      3.353912      6.168885
  O      -8.007852      3.816094      4.871089
  C      -8.939480      3.693667      3.870556
  C      -9.808776      4.733353      3.577811
  C     -10.719025      4.586699      2.517718
  N     -10.809604      3.503366      1.748115
  C      -9.937428      2.485040      2.003701
  C      -9.935045      1.341853      1.165844
  C      -9.021354      0.325832      1.404601
  C      -8.130465      0.451335      2.485854
  N      -8.096627      1.498085      3.311927
  C      -8.972606      2.515990      3.069478
  H      -3.671550     -1.562286      5.030588
  H      -4.585614     -0.472254      3.972864
  H      -1.872878     -1.734341      3.251262
  H      -3.454675     -2.332810      2.733312
  H      -2.286500     -0.917307      0.984080
  H      -2.437712      0.492278      2.077083
  H      -6.107701     -1.231256     -0.082546
  H      -6.805017     -0.330678     -2.303081
  H      -4.230403      3.347181     -3.165598
  H      -2.416912      4.573612     -1.893879
  H      -1.631125      3.625742      0.281075
  H      -3.202077      6.138289      5.486958
  H      -4.370252      5.235911      6.461859
  H      -5.614404      6.213242      4.742448
  H      -5.529602      4.508795      4.321068
  H      -3.368076      5.257223      2.915971
  H      -4.167936      6.851917      2.925899
  H      -6.203949      7.646879      2.830799
  H      -8.397868      8.482369      2.069270
  H     -10.066539      5.467705     -0.983847
  H      -9.320056      3.170445     -1.755940
  H      -7.350022      2.128273     -0.653200
  H      -6.791922      0.908373      6.878439
  H      -6.683492      1.751258      5.315938
  H      -6.546380      3.927322      6.978070
  H      -7.493063      2.852311      8.021354
  H      -9.046497      4.144216      6.648538
  H      -9.076466      2.458563      6.048024
  H      -9.762668      5.659759      4.152040
  H     -11.386243      5.416936      2.267293
  H     -10.649631      1.303554      0.342260
  H      -8.973401     -0.558126      0.765787
  H      -7.402241     -0.342815      2.685846
  N      -4.631704      2.327305      3.567185
  N      -5.155468      2.493451      2.402598
  H      -4.922911      3.291544      1.809928
  H      -5.945830      1.916895      2.112670
102
Coordinates from ORCA-job orca E -6484.860014214320
  N      -2.851812      0.345280      4.813623
  Mo     -3.705876      2.136983      5.102485
  N      -5.005912      1.911830      6.540683
  C      -4.509715      1.826421      7.914926
  C      -3.099136      1.251792      7.925045
  N      -2.273424      1.925960      6.892017
  C      -1.146883      1.087125      6.426423
  C      -1.628338     -0.032929      5.502628
  C      -1.794928      3.270251      7.297832
  C      -1.741256      4.127412      6.034412
  N      -3.009595      4.029376      5.320337
  H      -0.807514     -0.245993      4.790291
  H      -1.787226     -0.975826      6.067208
  H      -0.464593      1.749610      5.876503
  H      -0.587397      0.679371      7.287940
  H      -1.511713      5.173475      6.301246
  H      -0.908356      3.782107      5.395027
  H      -2.511891      3.694145      8.014239
  H      -0.812278      3.194944      7.798480
  H      -5.162787      1.172189      8.521570
  H      -4.526355      2.821048      8.402655
  H      -3.142369      0.187065      7.657482
  H      -2.633332      1.341576      8.923391
  C      -3.537442     -0.793574      4.215385
  C      -2.837170     -1.388209      2.981570
  C      -2.818502     -0.436062      1.802807
  O      -4.200368     -0.323894      1.360134
  C      -4.504484      0.207767      0.154441
  C      -5.576226     -0.368008     -0.521176
  C      -5.985778      0.152753     -1.759499
  N      -5.435858      1.202165     -2.357309
  C      -4.420009      1.818727     -1.685558
  C      -3.867736      3.001212     -2.233720
  C      -2.877392      3.672540     -1.546650
  C      -2.424598      3.140988     -0.320603
  N      -2.897034      2.031596      0.229913
  C      -3.893095      1.368595     -0.423876
  C      -3.846215      5.224875      5.453645
  C      -4.920267      5.400997      4.381479
  C      -4.319090      5.725012      3.018156
  O      -5.118079      5.236636      1.917489
  C      -6.326210      5.791797      1.661023
  C      -6.761115      7.027325      2.121948
  C      -8.001168      7.521595      1.672041
  N      -8.797169      6.914931      0.800162
  C      -8.385350      5.692729      0.347976
  C      -9.165702      5.006161     -0.615844
  C      -8.774390      3.748502     -1.028178
  C      -7.644841      3.156326     -0.431876
  N      -6.867070      3.765075      0.457519
  C      -7.193640      5.042807      0.802341
  C      -6.452728      1.828637      6.410500
  C      -7.209780      3.037558      7.001992
  C      -8.455551      3.350039      6.196106
  O      -8.022596      3.821301      4.901210
  C      -8.950822      3.700197      3.896853
  C      -9.809745      4.745361      3.591885
  C     -10.709384      4.601259      2.522615
  N     -10.795419      3.518402      1.751635
  C      -9.933083      2.495040      2.019050
  C      -9.921692      1.353693      1.178661
  C      -9.018415      0.331653      1.432720
  C      -8.153094      0.445794      2.535305
  N      -8.128388      1.491018      3.364602
  C      -8.986225      2.519126      3.101099
  H      -3.636690     -1.587503      4.983788
  H      -4.556110     -0.493783      3.934257
  H      -1.801140     -1.669891      3.228576
  H      -3.355507     -2.314979      2.685301
  H      -2.217770     -0.830206      0.968102
  H      -2.436991      0.554045      2.079773
  H      -6.087480     -1.225364     -0.081102
  H      -6.818635     -0.322684     -2.288722
  H      -4.265084      3.360005     -3.184441
  H      -2.444866      4.596586     -1.932711
  H      -1.633772      3.654955      0.236121
  H      -3.188832      6.116965      5.444308
  H      -4.356648      5.237689      6.440230
  H      -5.601608      6.200838      4.707504
  H      -5.529346      4.489847      4.305548
  H      -3.363703      5.196858      2.895371
  H      -4.136806      6.805024      2.890666
  H      -6.161336      7.627501      2.804913
  H      -8.345777      8.490942      2.047900
  H     -10.067084      5.491085     -0.992349
  H      -9.345284      3.186909     -1.768787
  H      -7.377047      2.128249     -0.681920
  H      -6.810882      0.905319      6.908419
  H      -6.701262      1.745684      5.344448
  H      -6.556650      3.925264      6.996202
  H      -7.500195      2.856647      8.049139
  H      -9.064543      4.134772      6.678621
  H      -9.083649      2.451165      6.070677
  H      -9.765207      5.673106      4.163902
  H     -11.371696      5.433307      2.265307
  H     -10.620581      1.320507      0.341605
  H      -8.961904     -0.550729      0.792329
  H      -7.441129     -0.358057      2.754192
  N      -4.663299      2.288849      3.590416
  N      -5.178224      2.440037      2.417951
  H      -4.960316      3.247742      1.830795
  H      -5.979351      1.872347      2.138654
102
Coordinates from ORCA-job orca E -6484.862341822825
  N      -2.849790      0.340922      4.821029
  Mo     -3.724172      2.117624      5.123208
  N      -5.019803      1.902244      6.566094
  C      -4.524221      1.824523      7.941398
  C      -3.112606      1.253028      7.952684
  N      -2.291423      1.922933      6.913288
  C      -1.162251      1.083028      6.454050
  C      -1.641408     -0.041316      5.536596
  C      -1.816371      3.270863      7.308226
  C      -1.745786      4.109524      6.034214
  N      -3.008723      4.006904      5.309032
  H      -0.812340     -0.272647      4.839990
  H      -1.820237     -0.975421      6.110003
  H      -0.478540      1.742433      5.902461
  H      -0.605288      0.679161      7.319011
  H      -1.515855      5.158350      6.289050
  H      -0.908934      3.754001      5.406174
  H      -2.543733      3.706679      8.006865
  H      -0.841879      3.200728      7.825514
  H      -5.175964      1.171487      8.550701
  H      -4.544150      2.821536      8.423757
  H      -3.155956      0.187080      7.689603
  H      -2.643214      1.347212      8.948870
  C      -3.505945     -0.797744      4.187110
  C      -2.776206     -1.350758      2.951231
  C      -2.785128     -0.382054      1.785397
  O      -4.165224     -0.325115      1.328749
  C      -4.490141      0.215590      0.134197
  C      -5.566546     -0.365125     -0.530491
  C      -5.993171      0.154526     -1.763179
  N      -5.456238      1.207580     -2.366770
  C      -4.438547      1.830434     -1.704400
  C      -3.900214      3.017326     -2.257383
  C      -2.910219      3.697161     -1.579227
  C      -2.443645      3.170257     -0.355959
  N      -2.901319      2.056646      0.197442
  C      -3.895818      1.383750     -0.448115
  C      -3.839496      5.209118      5.432673
  C      -4.912801      5.380244      4.360358
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  O      -5.109958      5.197820      1.898787
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  C      -6.725747      7.014618      2.095728
  C      -7.960420      7.523202      1.646397
  N      -8.766607      6.923299      0.779381
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  C      -9.162254      5.014467     -0.630210
  C      -8.783447      3.753033     -1.042936
  C      -7.655301      3.151772     -0.453190
  N      -6.868163      3.753885      0.432704
  C      -7.184998      5.033078      0.780402
  C      -6.467529      1.823055      6.437651
  C      -7.220479      3.035606      7.026454
  C      -8.467337      3.346029      6.221071
  O      -8.035257      3.828915      4.930097
  C      -8.958928      3.708217      3.921158
  C      -9.807192      4.758774      3.603919
  C     -10.696424      4.617385      2.525742
  N     -10.778249      3.534610      1.753750
  C      -9.925770      2.506339      2.032887
  C      -9.905924      1.366630      1.190192
  C      -9.013319      0.338594      1.458980
  C      -8.173084      0.441813      2.581569
  N      -8.157166      1.485579      3.414134
  C      -8.996687      2.523651      3.130714
  H      -3.599953     -1.609747      4.936727
  H      -4.525924     -0.511197      3.897549
  H      -1.732567     -1.597402      3.203027
  H      -3.258139     -2.291552      2.638709
  H      -2.158394     -0.736397      0.952097
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  H      -6.067242     -1.226895     -0.086808
  H      -6.829354     -0.325495     -2.282990
  H      -4.308801      3.372521     -3.204742
  H      -2.488575      4.624853     -1.968600
  H      -1.653991      3.691925      0.195282
  H      -3.175670      6.096233      5.408691
  H      -4.344478      5.237496      6.421478
  H      -5.587965      6.189279      4.675770
  H      -5.527763      4.472345      4.293031
  H      -3.357955      5.137581      2.879602
  H      -4.103983      6.758884      2.859280
  H      -6.117359      7.608814      2.776250
  H      -8.291787      8.498298      2.019445
  H     -10.060928      5.506988     -1.003354
  H      -9.362688      3.195688     -1.780369
  H      -7.395879      2.122532     -0.706887
  H      -6.828297      0.901600      6.937097
  H      -6.717344      1.739561      5.371943
  H      -6.566145      3.922439      7.013738
  H      -7.507962      2.860311      8.075352
  H      -9.082005      4.124139      6.707108
  H      -9.089047      2.443720      6.089085
  H      -9.763792      5.687591      4.174351
  H     -11.353886      5.451316      2.261883
  H     -10.589087      1.338687      0.340113
  H      -8.948296     -0.542162      0.817022
  H      -7.477148     -0.371326      2.817728
  N      -4.692123      2.254054      3.616110
  N      -5.199363      2.389172      2.436526
  H      -4.999848      3.207250      1.855396
  H      -6.011429      1.829383      2.171031
102
Coordinates from ORCA-job orca E -6484.864403466213
  N      -2.850385      0.336888      4.826942
  Mo     -3.743500      2.100077      5.143154
  N      -5.033990      1.893316      6.591861
  C      -4.537807      1.822642      7.967545
  C      -3.125184      1.254545      7.978795
  N      -2.309074      1.919598      6.932474
  C      -1.178822      1.077438      6.478404
  C      -1.658477     -0.051069      5.568578
  C      -1.836589      3.270987      7.316492
  C      -1.750882      4.092196      6.032867
  N      -3.009095      3.985650      5.298724
  H      -0.822407     -0.302901      4.887902
  H      -1.858999     -0.974997      6.151368
  H      -0.494024      1.732744      5.923600
  H      -0.623492      0.677363      7.346103
  H      -1.519568      5.143352      6.276010
  H      -0.911272      3.726183      5.415140
  H      -2.573313      3.717775      7.998230
  H      -0.869793      3.205739      7.848724
  H      -5.187670      1.170224      8.579442
  H      -4.560800      2.821613      8.445272
  H      -3.168632      0.187247      7.720983
  H      -2.651790      1.353850      8.972493
  C      -3.478507     -0.799338      4.158594
  C      -2.722544     -1.309290      2.920115
  C      -2.760590     -0.325459      1.767549
  O      -4.135458     -0.324482      1.293611
  C      -4.477101      0.224725      0.109123
  C      -5.553857     -0.362108     -0.550111
  C      -5.991369      0.155666     -1.779398
  N      -5.465431      1.212738     -2.385842
  C      -4.450028      1.842813     -1.727803
  C      -3.923618      3.034296     -2.282984
  C      -2.937829      3.722942     -1.608885
  C      -2.463198      3.200980     -0.386206
  N      -2.908225      2.083318      0.167795
  C      -3.897728      1.400264     -0.474282
  C      -3.834617      5.193558      5.412243
  C      -4.906871      5.358378      4.339086
  C      -4.291311      5.638257      2.972107
  O      -5.102703      5.154704      1.879975
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  C      -7.920055      7.519430      1.615778
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  C      -8.355822      5.690620      0.307558
  C      -9.157361      5.014961     -0.646453
  C      -8.791002      3.749617     -1.058015
  C      -7.664313      3.140074     -0.473726
  N      -6.868461      3.736883      0.407907
  C      -7.175522      5.017582      0.756914
  C      -6.482595      1.817785      6.466786
  C      -7.231168      3.033060      7.055250
  C      -8.479806      3.343122      6.252251
  O      -8.049589      3.841526      4.966474
  C      -8.967728      3.720199      3.952260
  C      -9.806077      4.775192      3.622785
  C     -10.684276      4.636023      2.535544
  N     -10.760930      3.553046      1.762925
  C      -9.917265      2.520995      2.053605
  C      -9.887500      1.383025      1.208592
  C      -9.003094      0.351099      1.490617
  C      -8.186623      0.445660      2.630993
  N      -8.181925      1.487310      3.467446
  C      -9.005897      2.532798      3.166412
  H      -3.566728     -1.629486      4.888388
  H      -4.499574     -0.524497      3.861942
  H      -1.672163     -1.519905      3.175928
  H      -3.167274     -2.262743      2.591655
  H      -2.107868     -0.638265      0.937759
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  H      -6.045213     -1.228832     -0.105688
  H      -6.827481     -0.329850     -2.294047
  H      -4.338963      3.385360     -3.228912
  H      -2.525625      4.654228     -1.999660
  H      -1.677691      3.730752      0.163115
  H      -3.165252      6.076040      5.374870
  H      -4.335554      5.236446      6.402252
  H      -5.576320      6.176245      4.642952
  H      -5.527538      4.453683      4.281528
  H      -3.354195      5.075454      2.864978
  H      -4.073061      6.709239      2.826354
  H      -6.074567      7.585964      2.743421
  H      -8.238411      8.500384      1.984618
  H     -10.053202      5.514436     -1.017056
  H      -9.378470      3.195928     -1.791644
  H      -7.412888      2.109700     -0.729877
  H      -6.844904      0.897654      6.967543
  H      -6.734952      1.734030      5.401775
  H      -6.575626      3.918884      7.036276
  H      -7.514733      2.861776      8.105800
  H      -9.099881      4.113042      6.744366
  H      -9.095098      2.437885      6.111519
  H      -9.764282      5.704822      4.191961
  H     -11.336756      5.471499      2.264480
  H     -10.555060      1.359402      0.346233
  H      -8.927612     -0.527242      0.846448
  H      -7.502615     -0.373517      2.880923
  N      -4.722244      2.222602      3.640032
  N      -5.223935      2.340025      2.454302
  H      -5.044267      3.167252      1.877341
  H      -6.046990      1.787616      2.205619
102
Coordinates from ORCA-job orca E -6484.866241328813
  N      -2.849155      0.331973      4.833421
  Mo     -3.761346      2.082542      5.164628
  N      -5.048157      1.882214      6.618083
  C      -4.552044      1.817414      7.994271
  C      -3.138085      1.253370      8.005932
  N      -2.326204      1.914273      6.953734
  C      -1.194929      1.070073      6.504094
  C      -1.675352     -0.062315      5.601558
  C      -1.857035      3.269054      7.328298
  C      -1.756815      4.074552      6.036647
  N      -3.009926      3.964793      5.293466
  H      -0.832237     -0.335286      4.937935
  H      -1.898590     -0.975500      6.193205
  H      -0.509424      1.721565      5.945830
  H      -0.640666      0.673653      7.374178
  H      -1.523822      5.127609      6.269560
  H      -0.914226      3.698652      5.429364
  H      -2.603237      3.724599      7.993852
  H      -0.897788      3.208876      7.874802
  H      -5.200084      1.164557      8.607684
  H      -4.578754      2.817684      8.468834
  H      -3.180584      0.184716      7.753247
  H      -2.661772      1.358013      8.997691
  C      -3.448887     -0.800022      4.130990
  C      -2.667641     -1.263886      2.890193
  C      -2.738032     -0.265667      1.751697
  O      -4.105073     -0.323657      1.259017
  C      -4.466614      0.232493      0.084983
  C      -5.541102     -0.366306     -0.567548
  C      -5.994419      0.147022     -1.792696
  N      -5.487837      1.212024     -2.401729
  C      -4.477672      1.855208     -1.749238
  C      -3.972902      3.055439     -2.306499
  C      -2.994431      3.758644     -1.638414
  C      -2.504394      3.243109     -0.418480
  N      -2.927689      2.117995      0.136042
  C      -3.909886      1.419133     -0.500207
  C      -3.830720      5.177903      5.395609
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  C      -4.274069      5.594380      2.952073
  O      -5.088650      5.112701      1.861871
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  C      -6.650847      6.979662      2.030742
  C      -7.873392      7.514191      1.577716
  N      -8.697396      6.923536      0.721355
  C      -8.331883      5.682448      0.281132
  C      -9.142862      5.009600     -0.666809
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  C      -7.663199      3.123442     -0.494787
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  C      -7.242775      3.027160      7.083216
  C      -8.492220      3.338802      6.281729
  O      -8.063131      3.857135      5.003076
  C      -8.973801      3.735721      3.981922
  C      -9.801141      4.795457      3.639205
  C     -10.666996      4.659171      2.541770
  N     -10.738583      3.575727      1.768767
  C      -9.904379      2.539719      2.071647
  C      -9.865059      1.402934      1.224885
  C      -8.988854      0.367472      1.519913
  C      -8.195227      0.454345      2.676786
  N      -8.202357      1.493803      3.517095
  C      -9.011397      2.545912      3.199566
  H      -3.530601     -1.648740      4.839615
  H      -4.471012     -0.536873      3.827823
  H      -1.611159     -1.436277      3.149570
  H      -3.072263     -2.229394      2.545328
  H      -2.059853     -0.533081      0.926673
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  H      -6.017187     -1.241002     -0.122051
  H      -6.827320     -0.349870     -2.301703
  H      -4.400132      3.400510     -3.249406
  H      -2.599537      4.696814     -2.030756
  H      -1.724906      3.785634      0.127046
  H      -3.156108      6.055988      5.348448
  H      -4.331010      5.233925      6.385079
  H      -5.563334      6.164318      4.610627
  H      -5.526551      4.436935      4.270166
  H      -3.346425      5.014375      2.855853
  H      -4.037401      6.660141      2.796783
  H      -6.027388      7.564139      2.705875
  H      -8.179504      8.501336      1.940445
  H     -10.035844      5.515126     -1.036272
  H      -9.383668      3.188649     -1.804437
  H      -7.419047      2.091574     -0.751869
  H      -6.861652      0.890676      6.995066
  H      -6.751139      1.727186      5.429670
  H      -6.585969      3.912064      7.060609
  H      -7.523729      2.858030      8.134828
  H      -9.118426      4.098726      6.781572
  H      -9.100885      2.431235      6.128530
  H      -9.760954      5.725820      4.207420
  H     -11.313698      5.496612      2.262867
  H     -10.517211      1.383515      0.350763
  H      -8.903003     -0.508563      0.873689
  H      -7.522408     -0.370224      2.939206
  N      -4.747334      2.192556      3.665420
  N      -5.243521      2.291125      2.473633
  H      -5.086178      3.127281      1.901385
  H      -6.077256      1.745051      2.242648
102
Coordinates from ORCA-job orca E -6484.867901420846
  N      -2.850022      0.329499      4.836291
  Mo     -3.781033      2.067932      5.183751
  N      -5.062494      1.871443      6.643556
  C      -4.564623      1.811703      8.019281
  C      -3.149152      1.252164      8.029343
  N      -2.342906      1.909267      6.970720
  C      -1.211645      1.063170      6.523732
  C      -1.694955     -0.072358      5.629102
  C      -1.876658      3.267103      7.336444
  C      -1.765419      4.059255      6.038063
  N      -3.014712      3.946544      5.288584
  H      -0.846215     -0.367456      4.982373
  H      -1.941486     -0.973896      6.229409
  H      -0.526336      1.710649      5.960838
  H      -0.657060      0.669979      7.395030
  H      -1.530271      5.113699      6.261880
  H      -0.921084      3.674457      5.439215
  H      -2.630717      3.729448      7.988306
  H      -0.923571      3.212023      7.894191
  H      -5.209653      1.157717      8.634651
  H      -4.594677      2.812777      8.491603
  H      -3.190479      0.182193      7.782063
  H      -2.669130      1.362529      9.018620
  C      -3.421142     -0.796892      4.100635
  C      -2.616874     -1.211766      2.857323
  C      -2.723300     -0.200896      1.733471
  O      -4.079041     -0.320612      1.221151
  C      -4.457140      0.241637      0.057172
  C      -5.527502     -0.365847     -0.594112
  C      -5.986976      0.143683     -1.818401
  N      -5.491895      1.214061     -2.427405
  C      -4.489137      1.867177     -1.774356
  C      -3.997503      3.073795     -2.330346
  C      -3.027825      3.786930     -1.661777
  C      -2.532426      3.275663     -0.441648
  N      -2.942267      2.145547      0.110286
  C      -3.915986      1.436294     -0.526410
  C      -3.830573      5.164055      5.378964
  C      -4.894629      5.317505      4.297629
  C      -4.259191      5.548012      2.930768
  O      -5.076557      5.067405      1.842754
  C      -6.243228      5.694257      1.557718
  C      -6.609112      6.960936      1.991475
  C      -7.824372      7.508708      1.534873
  N      -8.657867      6.921537      0.685546
  C      -8.308777      5.673045      0.253806
  C      -9.131462      5.002487     -0.685283
  C      -8.791772      3.727088     -1.087325
  C      -7.668198      3.103702     -0.510934
  N      -6.854584      3.693669      0.358660
  C      -7.140455      4.979764      0.703850
  C      -6.512722      1.801974      6.524459
  C      -7.255060      3.019759      7.115248
  C      -8.507099      3.333394      6.317967
  O      -8.081872      3.873448      5.046774
  C      -8.984117      3.751411      4.017904
  C      -9.798843      4.816087      3.660032
  C     -10.651022      4.682186      2.551883
  N     -10.718625      3.597054      1.780516
  C      -9.895525      2.556759      2.097400
  C      -9.847425      1.419465      1.251028
  C      -8.979391      0.380983      1.560130
  C      -8.207723      0.462803      2.731720
  N      -8.226314      1.501538      3.573635
  C      -9.021105      2.558860      3.239762
  H      -3.493945     -1.664442      4.786821
  H      -4.444785     -0.546311      3.792487
  H      -1.555347     -1.343814      3.119415
  H      -2.978753     -2.187970      2.495497
  H      -2.021574     -0.419435      0.914153
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  H      -5.994491     -1.245811     -0.149237
  H      -6.815558     -0.361185     -2.326452
  H      -4.428904      3.414522     -3.272845
  H      -2.643504      4.729851     -2.052891
  H      -1.760109      3.826984      0.104993
  H      -3.151296      6.037986      5.323005
  H      -4.331647      5.233071      6.366982
  H      -5.552626      6.153324      4.575233
  H      -5.528731      4.421075      4.258562
  H      -3.341674      4.950333      2.846590
  H      -4.003312      6.607627      2.764381
  H      -5.977940      7.541208      2.662865
  H      -8.116584      8.502789      1.889674
  H     -10.021234      5.514446     -1.053438
  H      -9.396785      3.177556     -1.809649
  H      -7.433616      2.069578     -0.766348
  H      -6.877102      0.882944      7.025962
  H      -6.769679      1.719351      5.460645
  H      -6.597828      3.904233      7.088375
  H      -7.531363      2.851787      8.168177
  H      -9.138298      4.082590      6.827471
  H      -9.109392      2.424018      6.152328
  H      -9.759539      5.747814      4.225921
  H     -11.289490      5.522268      2.262553
  H     -10.484454      1.402911      0.365976
  H      -8.883150     -0.493892      0.913516
  H      -7.545737     -0.366137      3.006975
  N      -4.774600      2.167151      3.686347
  N      -5.268685      2.245168      2.489883
  H      -5.131126      3.086613      1.917700
  H      -6.113517      1.706134      2.279265
102
Coordinates from ORCA-job orca E -6484.869542359928
  N      -2.847563      0.323355      4.844441
  Mo     -3.797690      2.049877      5.209465
  N      -5.077512      1.857235      6.672403
  C      -4.580952      1.801802      8.048784
  C      -3.164286      1.245513      8.060162
  N      -2.360441      1.898516      6.997135
  C      -1.229010      1.050005      6.553595
  C      -1.714055     -0.087542      5.664050
  C      -1.897172      3.259072      7.355818
  C      -1.773198      4.039144      6.051926
  N      -3.017454      3.925088      5.293797
  H      -0.858355     -0.404548      5.036939
  H      -1.985979     -0.977825      6.270568
  H      -0.542791      1.693811      5.987627
  H      -0.675333      0.659245      7.426689
  H      -1.535184      5.094525      6.268302
  H      -0.926137      3.645570      5.462764
  H      -2.659389      3.727006      7.994195
  H      -0.950587      3.208619      7.925255
  H      -5.224817      1.146970      8.664668
  H      -4.614416      2.803453      8.519650
  H      -3.204263      0.174255      7.818128
  H      -2.682922      1.361322      9.048247
  C      -3.388104     -0.794152      4.072453
  C      -2.559913     -1.154003      2.827876
  C      -2.704207     -0.128520      1.721094
  O      -4.045038     -0.310759      1.185890
  C      -4.448115      0.252548      0.032166
  C      -5.512021     -0.376472     -0.609162
  C      -5.994145      0.121722     -1.829347
  N      -5.531468      1.204087     -2.442151
  C      -4.539688      1.880476     -1.797169
  C      -4.087482      3.102271     -2.354658
  C      -3.132526      3.840380     -1.694765
  C      -2.609240      3.339166     -0.481191
  N      -2.981194      2.196868      0.070571
  C      -3.941976      1.462027     -0.556383
  C      -3.827401      5.148047      5.368900
  C      -4.883218      5.297635      4.279261
  C      -4.234788      5.502193      2.914814
  O      -5.052850      5.023702      1.826385
  C      -6.206943      5.666951      1.526591
  C      -6.556605      6.942958      1.946252
  C      -7.762888      7.502712      1.480265
  N      -8.603162      6.917155      0.636194
  C      -8.269309      5.660040      0.217296
  C      -9.101024      4.989328     -0.713899
  C      -8.775195      3.706994     -1.105522
  C      -7.654899      3.078190     -0.528562
  N      -6.833756      3.666939      0.334718
  C      -7.108592      4.957556      0.673302
  C      -6.528120      1.792078      6.552280
  C      -7.267561      3.011277      7.142837
  C      -8.518772      3.328087      6.345416
  O      -8.093611      3.890972      5.083584
  C      -8.985213      3.769097      4.045702
  C      -9.784811      4.839844      3.671438
  C     -10.621943      4.709647      2.551386
  N     -10.686679      3.622742      1.781694
  C      -9.876502      2.577157      2.113296
  C      -9.820454      1.439555      1.266990
  C      -8.962220      0.397149      1.589822
  C      -8.212681      0.472587      2.776158
  N      -8.241949      1.510402      3.620049
  C      -9.021747      2.573721      3.270759
  H      -3.452100     -1.681694      4.733421
  H      -4.412868     -0.556292      3.758022
  H      -1.495052     -1.243965      3.094316
  H      -2.875323     -2.138783      2.445837
  H      -1.980382     -0.292194      0.908649
  H      -2.586060      0.894880      2.094408
  H      -5.955922     -1.266110     -0.159818
  H      -6.814822     -0.403220     -2.329824
  H      -4.539257      3.433174     -3.291219
  H      -2.780611      4.795747     -2.086284
  H      -1.847668      3.911226      0.059331
  H      -3.142473      6.017349      5.307896
  H      -4.333461      5.230272      6.353313
  H      -5.534533      6.143389      4.541966
  H      -5.525949      4.406899      4.248004
  H      -3.327833      4.886898      2.844165
  H      -3.958603      6.555190      2.738476
  H      -5.920168      7.520820      2.614788
  H      -8.042112      8.504554      1.823752
  H      -9.986431      5.507010     -1.084800
  H      -9.387908      3.157168     -1.821322
  H      -7.428825      2.041012     -0.779529
  H      -6.895537      0.873528      7.052632
  H      -6.784966      1.711302      5.488288
  H      -6.608575      3.894639      7.114626
  H      -7.543214      2.844754      8.196222
  H      -9.156379      4.066111      6.863204
  H      -9.114504      2.417570      6.164119
  H      -9.745877      5.773090      4.235050
  H     -11.250544      5.553440      2.251107
  H     -10.442038      1.427145      0.370960
  H      -8.856816     -0.476317      0.942509
  H      -7.562691     -0.361848      3.063495
  N      -4.792099      2.139756      3.713624
  N      -5.281601      2.196217      2.511826
  H      -5.165174      3.042655      1.941124
  H      -6.136120      1.662507      2.319839
102
Coordinates from ORCA-job orca E -6484.870891399102
  N      -2.847277      0.325832      4.848123
  Mo     -3.814133      2.040406      5.235554
  N      -5.090726      1.846287      6.702760
  C      -4.593130      1.792111      8.078641
  C      -3.175381      1.238512      8.088104
  N      -2.375070      1.889321      7.021194
  C      -1.245008      1.038887      6.576770
  C      -1.735168     -0.097694      5.690289
  C      -1.913384      3.251311      7.376314
  C      -1.780991      4.024799      6.069820
  N      -3.022096      3.911958      5.306057
  H      -0.875377     -0.436597      5.080343
  H      -2.032629     -0.977116      6.300797
  H      -0.558730      1.679852      6.007721
  H      -0.690669      0.647897      7.449351
  H      -1.539628      5.080159      6.282275
  H      -0.932898      3.624882      5.486544
  H      -2.681265      3.722167      8.005742
  H      -0.971350      3.203529      7.953540
  H      -5.234874      1.135206      8.694602
  H      -4.628934      2.793247      8.550329
  H      -3.214657      0.166499      7.849463
  H      -2.691485      1.357828      9.074515
  C      -3.360278     -0.780458      4.040894
  C      -2.516420     -1.086986      2.792395
  C      -2.709624     -0.056784      1.696921
  O      -4.030822     -0.311039      1.140839
  C      -4.456640      0.248868     -0.005646
  C      -5.506196     -0.402490     -0.649375
  C      -6.000834      0.088618     -1.866988
  N      -5.564843      1.186252     -2.475280
  C      -4.588548      1.882073     -1.828341
  C      -4.164407      3.118325     -2.379576
  C      -3.224850      3.873455     -1.717695
  C      -2.688718      3.378279     -0.507271
  N      -3.036291      2.225544      0.038938
  C      -3.980037      1.472146     -0.590758
  C      -3.825207      5.139837      5.368744
  C      -4.872457      5.287673      4.270840
  C      -4.212654      5.468832      2.908959
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  C      -6.171822      5.653369      1.503443
  C      -6.507824      6.937456      1.908644
  C      -7.703630      7.508151      1.428531
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  C      -7.632152      3.066796     -0.544109
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  C      -7.280745      3.004777      7.172942
  C      -8.532305      3.321806      6.375240
  O      -8.108313      3.903995      5.121259
  C      -8.985705      3.778393      4.072166
  C      -9.768475      4.852969      3.674777
  C     -10.587343      4.721221      2.541116
  N     -10.648607      3.628959      1.778876
  C      -9.852886      2.579765      2.131990
  C      -9.788565      1.436722      1.292786
  C      -8.942280      0.391888      1.636765
  C      -8.215174      0.468832      2.836753
  N      -8.253975      1.511603      3.674458
  C      -9.019557      2.577360      3.304891
  H      -3.411247     -1.686701      4.677015
  H      -4.387633     -0.555854      3.724555
  H      -1.448629     -1.128990      3.058992
  H      -2.782743     -2.080847      2.396862
  H      -1.968018     -0.164150      0.891684
  H      -2.658610      0.966780      2.084862
  H      -5.930705     -1.302605     -0.201643
  H      -6.810765     -0.452441     -2.367757
  H      -4.625542      3.443892     -3.313427
  H      -2.895479      4.839056     -2.103587
  H      -1.940362      3.965137      0.035816
  H      -3.135003      6.004772      5.305328
  H      -4.336670      5.232518      6.349346
  H      -5.516523      6.142914      4.520048
  H      -5.523726      4.402837      4.245974
  H      -3.316374      4.836743      2.848154
  H      -3.916645      6.515148      2.724794
  H      -5.869235      7.513093      2.577015
  H      -7.971948      8.517047      1.759760
  H      -9.941506      5.511431     -1.123782
  H      -9.364608      3.149268     -1.837384
  H      -7.412511      2.027138     -0.789855
  H      -6.910697      0.866494      7.085773
  H      -6.799749      1.702923      5.520941
  H      -6.621474      3.887901      7.141365
  H      -7.555186      2.841288      8.227082
  H      -9.176142      4.049839      6.899270
  H      -9.121162      2.409669      6.181455
  H      -9.731399      5.790132      4.231922
  H     -11.204350      5.567461      2.224131
  H     -10.393148      1.423540      0.385300
  H      -8.827362     -0.484295      0.994522
  H      -7.576903     -0.368516      3.141118
  N      -4.808112      2.125394      3.739991
  N      -5.293646      2.163970      2.534221
  H      -5.194396      3.014959      1.965132
  H      -6.154831      1.634873      2.356429
102
Coordinates from ORCA-job orca E -6484.872006146154
  N      -2.859440      0.323648      4.851082
  Mo     -3.835661      2.029319      5.257723
  N      -5.104880      1.839074      6.732740
  C      -4.602634      1.788189      8.106773
  C      -3.185192      1.233704      8.111990
  N      -2.389889      1.876967      7.037034
  C      -1.265985      1.019363      6.590753
  C      -1.769648     -0.116347      5.713068
  C      -1.924450      3.239863      7.384159
  C      -1.788806      4.006314      6.073818
  N      -3.030763      3.894815      5.310596
  H      -0.910862     -0.483611      5.118359
  H      -2.095451     -0.980714      6.330520
  H      -0.579660      1.653052      6.013845
  H      -0.709118      0.628676      7.461718
  H      -1.542040      5.061341      6.280787
  H      -0.943105      3.599239      5.492146
  H      -2.693463      3.715982      8.008175
  H      -0.984111      3.193604      7.964146
  H      -5.241996      1.132377      8.726324
  H      -4.637049      2.790037      8.576764
  H      -3.227227      0.160353      7.880354
  H      -2.695748      1.358308      9.094867
  C      -3.347590     -0.768304      4.009788
  C      -2.485855     -1.024368      2.762307
  C      -2.707295      0.015042      1.680571
  O      -4.007258     -0.286496      1.099317
  C      -4.443779      0.274306     -0.042707
  C      -5.478205     -0.394372     -0.694224
  C      -5.970998      0.086992     -1.915373
  N      -5.547799      1.191885     -2.521662
  C      -4.589851      1.904805     -1.866790
  C      -4.181746      3.148557     -2.414880
  C      -3.261608      3.920354     -1.744739
  C      -2.729332      3.436543     -0.528572
  N      -3.063022      2.278030      0.015259
  C      -3.985917      1.507017     -0.623316
  C      -3.825797      5.128160      5.357682
  C      -4.867769      5.267567      4.253150
  C      -4.201545      5.417565      2.891168
  O      -5.025229      4.939668      1.807663
  C      -6.149538      5.615617      1.473105
  C      -6.465593      6.910352      1.858621
  C      -7.649665      7.494072      1.364679
  N      -8.499606      6.912184      0.528480
  C      -8.197851      5.636996      0.141915
  C      -9.044978      4.964489     -0.773785
  C      -8.750697      3.665693     -1.132624
  C      -7.641280      3.026287     -0.545070
  N      -6.805715      3.616420      0.302483
  C      -7.057417      4.916712      0.618558
  C      -6.556541      1.781534      6.621249
  C      -7.289485      3.005130      7.210013
  C      -8.543515      3.322479      6.416548
  O      -8.124869      3.925252      5.170142
  C      -8.992147      3.795361      4.114282
  C      -9.759550      4.873758      3.699125
  C     -10.564278      4.741883      2.555252
  N     -10.624473      3.645850      1.798963
  C      -9.841876      2.592817      2.168475
  C      -9.769195      1.447874      1.332221
  C      -8.930860      0.401705      1.689852
  C      -8.223560      0.477043      2.901723
  N      -8.271474      1.521571      3.736719
  C      -9.025929      2.589726      3.353183
  H      -3.391415     -1.692017      4.620249
  H      -4.375121     -0.551483      3.688121
  H      -1.419297     -1.030436      3.037172
  H      -2.711530     -2.020600      2.348374
  H      -1.949358     -0.044779      0.886297
  H      -2.708740      1.033615      2.084455
  H      -5.891481     -1.300928     -0.248936
  H      -6.766692     -0.468378     -2.422617
  H      -4.640392      3.465557     -3.352750
  H      -2.946026      4.891795     -2.127475
  H      -1.997659      4.037078      0.021863
  H      -3.130480      5.988223      5.286502
  H      -4.340509      5.235709      6.334891
  H      -5.504090      6.133534      4.485011
  H      -5.527044      4.388275      4.241322
  H      -3.315526      4.770163      2.841333
  H      -3.887568      6.455859      2.692029
  H      -5.821119      7.484306      2.522696
  H      -7.902053      8.512150      1.679424
  H      -9.917435      5.494102     -1.158119
  H      -9.377038      3.112962     -1.834007
  H      -7.434043      1.981393     -0.778613
  H      -6.926192      0.865921      7.125262
  H      -6.819421      1.700032      5.559126
  H      -6.628870      3.886989      7.172213
  H      -7.559041      2.845840      8.265912
  H      -9.192105      4.039588      6.949398
  H      -9.125396      2.408748      6.211260
  H      -9.721876      5.813879      4.251050
  H     -11.169886      5.591028      2.224704
  H     -10.358609      1.436346      0.414968
  H      -8.806049     -0.473953      1.048711
  H      -7.594128     -0.362367      3.218076
  N      -4.833086      2.107965      3.762564
  N      -5.321651      2.122642      2.556301
  H      -5.233908      2.970557      1.978301
  H      -6.189317      1.596081      2.397840
102
Coordinates from ORCA-job orca E -6484.872922756171
  N      -2.860149      0.328636      4.854386
  Mo     -3.845306      2.025271      5.279096
  N      -5.109280      1.833224      6.759300
  C      -4.603515      1.786003      8.132208
  C      -3.185264      1.232382      8.134820
  N      -2.393403      1.869109      7.053008
  C      -1.274743      1.006044      6.603506
  C      -1.792032     -0.128106      5.734098
  C      -1.924430      3.231966      7.395099
  C      -1.788085      3.995314      6.083951
  N      -3.031417      3.885995      5.322745
  H      -0.936310     -0.523788      5.153189
  H      -2.145388     -0.976796      6.358318
  H      -0.590158      1.634290      6.018491
  H      -0.713827      0.615579      7.471985
  H      -1.537614      5.049783      6.289083
  H      -0.944609      3.584674      5.501370
  H      -2.693594      3.711027      8.016771
  H      -0.984658      3.186016      7.976084
  H      -5.240256      1.129900      8.754254
  H      -4.638634      2.788326      8.601086
  H      -3.228585      0.157674      7.910084
  H      -2.691604      1.362599      9.114827
  C      -3.328589     -0.750036      3.985547
  C      -2.452846     -0.967669      2.740821
  C      -2.701753      0.072590      1.666354
  O      -3.983944     -0.271583      1.071119
  C      -4.438114      0.288738     -0.063455
  C      -5.463357     -0.397466     -0.711879
  C      -5.969044      0.076298     -1.930125
  N      -5.569576      1.190496     -2.535885
  C      -4.624675      1.921124     -1.881781
  C      -4.242823      3.173669     -2.428198
  C      -3.336982      3.962838     -1.758104
  C      -2.793231      3.488562     -0.543714
  N      -3.101638      2.322213     -0.001707
  C      -4.008638      1.532982     -0.640835
  C      -3.817354      5.125004      5.358556
  C      -4.852810      5.262101      4.248197
  C      -4.179712      5.384988      2.887855
  O      -5.007992      4.907053      1.808155
  C      -6.115946      5.598640      1.455137
  C      -6.414347      6.902384      1.823196
  C      -7.585327      7.498903      1.312566
  N      -8.439023      6.920248      0.478288
  C      -8.154976      5.635718      0.109318
  C      -9.009184      4.963832     -0.800086
  C      -8.732595      3.656928     -1.142008
  C      -7.631438      3.009869     -0.546239
  N      -6.790295      3.599088      0.296009
  C      -7.027317      4.905058      0.599179
  C      -6.561621      1.772614      6.649474
  C      -7.300064      2.998459      7.226788
  C      -8.556581      3.305617      6.430851
  O      -8.143771      3.922634      5.188585
  C      -9.000473      3.791469      4.124010
  C      -9.744620      4.878478      3.687977
  C     -10.537806      4.748888      2.535735
  N     -10.607080      3.647245      1.788943
  C      -9.845094      2.585816      2.176761
  C      -9.777543      1.434304      1.348627
  C      -8.955056      0.380891      1.721150
  C      -8.263690      0.453736      2.942613
  N      -8.310485      1.503412      3.771368
  C      -9.044472      2.579635      3.371861
  H      -3.367336     -1.687508      4.574385
  H      -4.356045     -0.538340      3.659907
  H      -1.387901     -0.940303      3.021773
  H      -2.643168     -1.967232      2.317391
  H      -1.933799      0.050527      0.880032
  H      -2.747803      1.086916      2.078690
  H      -5.857649     -1.312526     -0.266620
  H      -6.753094     -0.495150     -2.437506
  H      -4.710335      3.483344     -3.364160
  H      -3.042132      4.941449     -2.139136
  H      -2.074241      4.103385      0.007501
  H      -3.116050      5.979861      5.284047
  H      -4.335938      5.243393      6.332369
  H      -5.479886      6.138415      4.465229
  H      -5.521035      4.389608      4.245544
  H      -3.303964      4.723152      2.847163
  H      -3.848143      6.415548      2.677313
  H      -5.766734      7.473794      2.486435
  H      -7.823353      8.524936      1.612423
  H      -9.872966      5.501010     -1.193549
  H      -9.365854      3.104747     -1.837522
  H      -7.434701      1.960423     -0.770300
  H      -6.929319      0.859740      7.159952
  H      -6.824446      1.682797      5.588070
  H      -6.642951      3.882524      7.180003
  H      -7.568090      2.848591      8.284467
  H      -9.213556      4.012980      6.966321
  H      -9.128146      2.387236      6.218761
  H      -9.699129      5.823181      4.231272
  H     -11.127247      5.604047      2.191434
  H     -10.355264      1.425485      0.423995
  H      -8.831005     -0.498712      1.084962
  H      -7.650928     -0.392481      3.273494
  N      -4.846130      2.098535      3.786076
  N      -5.340080      2.090969      2.580874
  H      -5.263225      2.936578      1.997656
  H      -6.215624      1.570893      2.441880
102
Coordinates from ORCA-job orca E -6484.873698712146
  N      -2.874023      0.328977      4.849802
  Mo     -3.866689      2.017703      5.292048
  N      -5.122842      1.824322      6.779336
  C      -4.611430      1.778988      8.150111
  C      -3.193204      1.225097      8.148315
  N      -2.406325      1.856195      7.059225
  C      -1.293064      0.989080      6.604635
  C      -1.824199     -0.142963      5.743444
  C      -1.933820      3.219197      7.396403
  C      -1.800509      3.981335      6.084467
  N      -3.047006      3.874086      5.327315
  H      -0.973331     -0.563996      5.173202
  H      -2.201116     -0.977068      6.373809
  H      -0.612617      1.613421      6.010406
  H      -0.725811      0.599461      7.469469
  H      -1.547053      5.035258      6.288826
  H      -0.959715      3.568999      5.498752
  H      -2.701381      3.700117      8.018849
  H      -0.992820      3.173383      7.975601
  H      -5.245633      1.123619      8.775705
  H      -4.644710      2.781809      8.618181
  H      -3.237885      0.149080      7.930438
  H      -2.694453      1.360811      9.124988
  C      -3.322354     -0.737913      3.956009
  C      -2.425866     -0.923946      2.720855
  C      -2.687321      0.116113      1.649712
  O      -3.948835     -0.261800      1.032453
  C      -4.410672      0.301681     -0.096725
  C      -5.423498     -0.397185     -0.751557
  C      -5.931692      0.074120     -1.969689
  N      -5.546311      1.195927     -2.570148
  C      -4.615343      1.938235     -1.908839
  C      -4.247669      3.196451     -2.450519
  C      -3.356650      3.996856     -1.773314
  C      -2.815399      3.528904     -0.555514
  N      -3.110021      2.357219     -0.017394
  C      -3.999905      1.555732     -0.665278
  C      -3.825465      5.118326      5.350632
  C      -4.857943      5.250984      4.236391
  C      -4.182092      5.346033      2.875811
  O      -5.017295      4.864065      1.803234
  C      -6.110337      5.568529      1.433586
  C      -6.391850      6.880930      1.783641
  C      -7.550939      7.488053      1.257806
  N      -8.408778      6.911384      0.426714
  C      -8.142085      5.617609      0.076186
  C      -9.003061      4.944995     -0.826258
  C      -8.743534      3.630058     -1.150122
  C      -7.650369      2.976801     -0.545570
  N      -6.803501      3.566558      0.290098
  C      -7.026288      4.878237      0.578864
  C      -6.575381      1.769573      6.675331
  C      -7.305529      2.998211      7.256312
  C      -8.563369      3.310369      6.465643
  O      -8.154224      3.952476      5.234701
  C      -8.998336      3.816537      4.162362
  C      -9.732197      4.904980      3.712492
  C     -10.514161      4.773272      2.552702
  N     -10.581241      3.667996      1.810944
  C      -9.827616      2.605323      2.212140
  C      -9.755255      1.450143      1.389439
  C      -8.939224      0.395911      1.773662
  C      -8.261234      0.470655      3.002979
  N      -8.314908      1.523140      3.827782
  C      -9.040263      2.600927      3.415886
  H      -3.359896     -1.686918      4.525868
  H      -4.347791     -0.530559      3.621221
  H      -1.365719     -0.869249      3.016535
  H      -2.583304     -1.925565      2.288676
  H      -1.905691      0.124335      0.876669
  H      -2.772194      1.125692      2.068085
  H      -5.804450     -1.320277     -0.311640
  H      -6.705146     -0.506989     -2.482625
  H      -4.713558      3.501565     -3.388880
  H      -3.072363      4.979872     -2.151385
  H      -2.110078      4.153410      0.002529
  H      -3.119346      5.968741      5.271130
  H      -4.346461      5.247942      6.321780
  H      -5.476276      6.137370      4.438646
  H      -5.534456      4.384779      4.245296
  H      -3.315254      4.672161      2.844237
  H      -3.836130      6.368845      2.650786
  H      -5.740747      7.451129      2.444556
  H      -7.774964      8.521644      1.542548
  H      -9.858636      5.488505     -1.229105
  H      -9.383484      3.077332     -1.839151
  H      -7.464100      1.922808     -0.758260
  H      -6.945121      0.857827      7.186300
  H      -6.842993      1.681955      5.614901
  H      -6.644955      3.879673      7.206834
  H      -7.569431      2.849941      8.315277
  H      -9.225293      4.004423      7.012288
  H      -9.127884      2.391953      6.236795
  H      -9.689593      5.851512      4.253079
  H     -11.098776      5.628563      2.200010
  H     -10.323513      1.440148      0.458879
  H      -8.810912     -0.485692      1.141219
  H      -7.656232     -0.376863      3.344797
  N      -4.870947      2.084426      3.802256
  N      -5.373258      2.053473      2.599420
  H      -5.302907      2.891714      2.004413
  H      -6.252509      1.533700      2.478653
102
Coordinates from ORCA-job orca E -6484.874386187830
  N      -2.871082      0.334832      4.850252
  Mo     -3.872423      2.014907      5.305640
  N      -5.125011      1.816488      6.795484
  C      -4.612262      1.774828      8.165680
  C      -3.193195      1.222467      8.164137
  N      -2.408400      1.849101      7.070679
  C      -1.297661      0.980082      6.613782
  C      -1.837263     -0.149665      5.756522
  C      -1.933937      3.212042      7.405535
  C      -1.802103      3.974468      6.093920
  N      -3.050095      3.867982      5.338721
  H      -0.989792     -0.589942      5.196369
  H      -2.234102     -0.972127      6.389895
  H      -0.620930      1.602823      6.013597
  H      -0.726191      0.591276      7.476148
  H      -1.548194      5.028032      6.299231
  H      -0.962250      3.562807      5.506201
  H      -2.700594      3.693929      8.028412
  H      -0.992476      3.166121      7.984001
  H      -5.245001      1.119717      8.793063
  H      -4.646577      2.778395      8.632031
  H      -3.237070      0.145161      7.952944
  H      -2.692868      1.364283      9.139023
  C      -3.302847     -0.721045      3.935669
  C      -2.390701     -0.878698      2.708201
  C      -2.669979      0.161216      1.641684
  O      -3.916024     -0.245976      1.012272
  C      -4.392514      0.318285     -0.110325
  C      -5.399681     -0.392348     -0.761314
  C      -5.920102      0.074986     -1.975933
  N      -5.553062      1.202618     -2.575705
  C      -4.627801      1.955399     -1.917980
  C      -4.277414      3.217501     -2.460703
  C      -3.391563      4.027287     -1.788046
  C      -2.838851      3.564692     -0.573440
  N      -3.116849      2.389685     -0.034379
  C      -4.000929      1.578606     -0.678077
  C      -3.821395      5.116525      5.349620
  C      -4.849838      5.243596      4.231127
  C      -4.171222      5.312865      2.870424
  O      -5.012836      4.827069      1.804793
  C      -6.091066      5.544574      1.420224
  C      -6.355555      6.864333      1.755318
  C      -7.502781      7.482704      1.216491
  N      -8.364874      6.910017      0.387460
  C      -8.115477      5.608695      0.052208
  C      -8.983416      4.937983     -0.844757
  C      -8.741087      3.616401     -1.154036
  C      -7.656360      2.955644     -0.542267
  N      -6.803919      3.543302      0.288776
  C      -7.011807      4.859485      0.566051
  C      -6.577591      1.759740      6.691327
  C      -7.309594      2.991050      7.264145
  C      -8.569930      3.298007      6.474217
  O      -8.167947      3.955443      5.248213
  C      -9.007010      3.820818      4.171770
  C      -9.722133      4.917839      3.711148
  C     -10.501362      4.791337      2.549309
  N     -10.582310      3.683109      1.813566
  C      -9.846247      2.611986      2.224111
  C      -9.787760      1.452101      1.407021
  C      -8.987222      0.388643      1.797741
  C      -8.313555      0.458768      3.029739
  N      -8.356454      1.515098      3.850559
  C      -9.063951      2.602037      3.431204
  H      -3.338889     -1.680229      4.488379
  H      -4.326369     -0.516428      3.593851
  H      -1.335103     -0.798421      3.013711
  H      -2.518775     -1.881558      2.269220
  H      -1.881881      0.196514      0.876011
  H      -2.786404      1.164861      2.066748
  H      -5.765462     -1.321281     -0.321268
  H      -6.687443     -0.515915     -2.486956
  H      -4.751268      3.518142     -3.396443
  H      -3.119698      5.013093     -2.167673
  H      -2.138164      4.196812     -0.018206
  H      -3.110856      5.962658      5.265736
  H      -4.345273      5.256305      6.317731
  H      -5.460544      6.138224      4.419010
  H      -5.533193      4.382744      4.250274
  H      -3.312592      4.628499      2.847975
  H      -3.813205      6.328480      2.631938
  H      -5.700768      7.431686      2.414928
  H      -7.712795      8.522479      1.488887
  H      -9.830821      5.488476     -1.255256
  H      -9.388250      3.065379     -1.837568
  H      -7.481443      1.897846     -0.745493
  H      -6.946982      0.850558      7.207076
  H      -6.844475      1.665781      5.631433
  H      -6.650365      3.873020      7.207434
  H      -7.570846      2.850027      8.324724
  H      -9.237545      3.982409      7.025907
  H      -9.126178      2.376964      6.237444
  H      -9.669172      5.866338      4.247144
  H     -11.073673      5.652540      2.191020
  H     -10.353079      1.446343      0.474709
  H      -8.868210     -0.496316      1.168383
  H      -7.722422     -0.395792      3.377979
  N      -4.880372      2.074158      3.816136
  N      -5.391907      2.020625      2.617108
  H      -5.327053      2.851485      2.010870
  H      -6.278044      1.506807      2.517810
102
Coordinates from ORCA-job orca E -6484.875004852083
  N      -2.868428      0.337407      4.849274
  Mo     -3.880152      2.008837      5.317291
  N      -5.130852      1.804087      6.808222
  C      -4.617927      1.764666      8.178142
  C      -3.198022      1.214132      8.177748
  N      -2.414208      1.838815      7.082163
  C      -1.303986      0.970276      6.623191
  C      -1.847106     -0.156699      5.765691
  C      -1.939404      3.202053      7.416552
  C      -1.809536      3.966418      6.106050
  N      -3.058086      3.860316      5.351264
  H      -1.000966     -0.609021      5.213644
  H      -2.258907     -0.971914      6.398744
  H      -0.631068      1.594050      6.019591
  H      -0.729069      0.582188      7.483541
  H      -1.556982      5.019869      6.313886
  H      -0.969205      3.557479      5.516885
  H      -2.705066      3.683369      8.041166
  H      -0.997107      3.156016      7.993775
  H      -5.250194      1.109784      8.806403
  H      -4.652935      2.768724      8.643557
  H      -3.239689      0.135802      7.971437
  H      -2.697750      1.361079      9.151912
  C      -3.282376     -0.708586      3.915349
  C      -2.353335     -0.839629      2.696934
  C      -2.647788      0.198286      1.632352
  O      -3.877110     -0.237685      0.989292
  C      -4.369072      0.326738     -0.126481
  C      -5.368145     -0.398006     -0.774389
  C      -5.906217      0.067107     -1.982426
  N      -5.564734      1.204397     -2.577883
  C      -4.646927      1.969380     -1.923311
  C      -4.321982      3.239134     -2.463208
  C      -3.442980      4.060059     -1.795278
  C      -2.872145      3.600672     -0.587600
  N      -3.126072      2.419023     -0.051412
  C      -4.003065      1.596588     -0.690637
  C      -3.822124      5.113292      5.348543
  C      -4.846734      5.236067      4.226506
  C      -4.165990      5.282466      2.865791
  O      -5.013103      4.792544      1.806369
  C      -6.077951      5.520511      1.407275
  C      -6.327786      6.846835      1.727915
  C      -7.463311      7.474812      1.175453
  N      -8.328001      6.905411      0.346915
  C      -8.093814      5.597298      0.026727
  C      -8.966573      4.928387     -0.866820
  C      -8.739743      3.600955     -1.162519
  C      -7.664551      2.933075     -0.541619
  N      -6.808606      3.518371      0.287465
  C      -7.002192      4.839132      0.553227
  C      -6.583724      1.751484      6.703052
  C      -7.311531      2.987378      7.271435
  C      -8.572518      3.297252      6.483295
  O      -8.173793      3.971161      5.264252
  C      -9.005597      3.837136      4.182437
  C      -9.706141      4.939940      3.711874
  C     -10.481933      4.816426      2.547683
  N     -10.572739      3.705243      1.817255
  C      -9.849920      2.628605      2.236659
  C      -9.802789      1.463585      1.426109
  C      -9.014660      0.393627      1.823523
  C      -8.341691      0.463191      3.056052
  N      -8.375913      1.523599      3.872183
  C      -9.071632      2.616038      3.446556
  H      -3.317245     -1.676419      4.452993
  H      -4.303446     -0.507558      3.564749
  H      -1.303475     -0.733965      3.014073
  H      -2.451245     -1.843485      2.252309
  H      -1.853469      0.257737      0.874807
  H      -2.794096      1.196018      2.062221
  H      -5.713087     -1.336063     -0.336925
  H      -6.666089     -0.535381     -2.491394
  H      -4.808397      3.536407     -3.393638
  H      -3.189410      5.051055     -2.174181
  H      -2.176249      4.241369     -0.035966
  H      -3.106996      5.955085      5.260837
  H      -4.348894      5.263003      6.313603
  H      -5.449965      6.138198      4.401926
  H      -5.536892      4.380792      4.254443
  H      -3.314531      4.589443      2.852663
  H      -3.798073      6.291557      2.615009
  H      -5.670495      7.412023      2.386918
  H      -7.660772      8.520119      1.436139
  H      -9.805496      5.485321     -1.286162
  H      -9.392200      3.051952     -1.842684
  H      -7.500731      1.871484     -0.735221
  H      -6.956725      0.845089      7.221189
  H      -6.850084      1.655013      5.643372
  H      -6.649063      3.866718      7.210485
  H      -7.570881      2.851546      8.333222
  H      -9.243371      3.973222      7.041349
  H      -9.123913      2.376576      6.235365
  H      -9.646650      5.890016      4.244384
  H     -11.045094      5.681617      2.184385
  H     -10.366798      1.459253      0.492926
  H      -8.904516     -0.495531      1.198560
  H      -7.760024     -0.395778      3.409502
  N      -4.889172      2.058495      3.829093
  N      -5.409607      1.982452      2.633875
  H      -5.352484      2.806050      2.017459
  H      -6.298724      1.470238      2.552696
102
Coordinates from ORCA-job orca E -6484.875585014703
  N      -2.862930      0.342419      4.846138
  Mo     -3.885160      2.006222      5.323563
  N      -5.134583      1.792553      6.814885
  C      -4.622075      1.753909      8.184587
  C      -3.201015      1.206498      8.185014
  N      -2.418457      1.832163      7.089231
  C      -1.307323      0.965941      6.629115
  C      -1.850741     -0.158501      5.769597
  C      -1.944659      3.195532      7.425486
  C      -1.817553      3.964167      6.117209
  N      -3.066430      3.857216      5.362921
  H      -1.004480     -0.617247      5.223383
  H      -2.273077     -0.969623      6.400729
  H      -0.637244      1.591735      6.024288
  H      -0.730515      0.578154      7.488181
  H      -1.568228      5.017539      6.329224
  H      -0.976028      3.560092      5.526241
  H      -2.709393      3.674700      8.052832
  H      -1.001223      3.149256      8.000777
  H      -5.253571      1.098029      8.812668
  H      -4.658528      2.757878      8.650220
  H      -3.239250      0.127614      7.981101
  H      -2.701746      1.357004      9.159129
  C      -3.261088     -0.696197      3.897246
  C      -2.318133     -0.807892      2.686761
  C      -2.621694      0.226367      1.621055
  O      -3.838188     -0.230594      0.968518
  C      -4.342546      0.335007     -0.140940
  C      -5.337941     -0.396616     -0.786504
  C      -5.888217      0.069111     -1.988937
  N      -5.562188      1.212606     -2.580402
  C      -4.646749      1.982827     -1.928511
  C      -4.336153      3.257336     -2.465452
  C      -3.457991      4.082152     -1.801489
  C      -2.873651      3.621527     -0.600526
  N      -3.114498      2.436037     -0.067413
  C      -3.991026      1.610071     -0.702390
  C      -3.824298      5.113467      5.346949
  C      -4.846341      5.229807      4.222329
  C      -4.165206      5.253581      2.860911
  O      -5.018790      4.758967      1.809239
  C      -6.070960      5.496949      1.396966
  C      -6.305318      6.829688      1.702866
  C      -7.429674      7.466854      1.138558
  N      -8.298269      6.900329      0.312224
  C      -8.079898      5.585961      0.007086
  C      -8.958752      4.919066     -0.881760
  C      -8.748251      3.585974     -1.163346
  C      -7.682436      2.911219     -0.533879
  N      -6.821147      3.494059      0.291493
  C      -6.999759      4.819209      0.544928
  C      -6.587849      1.743068      6.710674
  C      -7.311559      2.982948      7.276038
  C      -8.575324      3.295633      6.492995
  O      -8.182713      3.982238      5.278301
  C      -9.011853      3.850383      4.194381
  C      -9.697804      4.959776      3.717135
  C     -10.472603      4.841445      2.552143
  N     -10.576473      3.728246      1.826254
  C      -9.867859      2.644811      2.251804
  C      -9.836273      1.474884      1.447391
  C      -9.061687      0.397049      1.849534
  C      -8.385540      0.465008      3.080286
  N      -8.406360      1.529559      3.891368
  C      -9.090298      2.627987      3.462261
  H      -3.295585     -1.670043      4.423854
  H      -4.279555     -0.497883      3.537999
  H      -1.273822     -0.682131      3.014341
  H      -2.392221     -1.812274      2.238797
  H      -1.822843      0.300501      0.869803
  H      -2.788321      1.220415      2.052198
  H      -5.670432     -1.340202     -0.351220
  H      -6.644950     -0.538948     -2.495978
  H      -4.831805      3.554920     -3.390885
  H      -3.214474      5.076161     -2.179008
  H      -2.177422      4.264755     -0.052291
  H      -3.105688      5.951598      5.253873
  H      -4.352833      5.272890      6.309445
  H      -5.443035      6.138533      4.385635
  H      -5.541978      4.379288      4.259745
  H      -3.320748      4.552140      2.856612
  H      -3.788371      6.256057      2.597471
  H      -5.644336      7.392768      2.359887
  H      -7.614205      8.517373      1.387451
  H      -9.789442      5.482217     -1.309105
  H      -9.406680      3.039178     -1.839415
  H      -7.530900      1.845774     -0.716895
  H      -6.963180      0.839509      7.232108
  H      -6.855144      1.643649      5.651660
  H      -6.646574      3.859954      7.209220
  H      -7.566460      2.851689      8.339461
  H      -9.246178      3.965745      7.057843
  H      -9.124345      2.375742      6.238152
  H      -9.628761      5.910642      4.246992
  H     -11.025195      5.711815      2.185105
  H     -10.401352      1.472902      0.514859
  H      -8.964029     -0.496860      1.229255
  H      -7.813470     -0.398968      3.437127
  N      -4.895887      2.045889      3.835156
  N      -5.427327      1.949117      2.645356
  H      -5.376495      2.764671      2.017661
  H      -6.320403      1.440963      2.584474
102
Coordinates from ORCA-job orca E -6484.876142167041
  N      -2.857708      0.342979      4.844948
  Mo     -3.890879      1.998957      5.331841
  N      -5.141272      1.778106      6.822030
  C      -4.630708      1.739233      8.192102
  C      -3.208935      1.193833      8.194219
  N      -2.426132      1.821507      7.099937
  C      -1.313108      0.957780      6.639614
  C      -1.853484     -0.163834      5.774533
  C      -1.953878      3.185051      7.438904
  C      -1.827231      3.957438      6.132615
  N      -3.074879      3.849623      5.375800
  H      -1.004794     -0.623861      5.233253
  H      -2.283539     -0.974615      6.400839
  H      -0.643767      1.586279      6.036561
  H      -0.736635      0.569311      7.498539
  H      -1.581543      5.010819      6.348800
  H      -0.983081      3.557863      5.542105
  H      -2.718370      3.662142      8.068103
  H      -1.009964      3.138348      8.013400
  H      -5.262759      1.082786      8.819135
  H      -4.668030      2.742988      8.658364
  H      -3.244003      0.114759      7.990789
  H      -2.711750      1.346070      9.169170
  C      -3.238346     -0.685387      3.878125
  C      -2.281478     -0.771890      2.676109
  C      -2.595718      0.262689      1.613242
  O      -3.798613     -0.214323      0.949846
  C      -4.318317      0.351826     -0.152203
  C      -5.306542     -0.391081     -0.795751
  C      -5.873678      0.073469     -1.990732
  N      -5.571081      1.225989     -2.576655
  C      -4.661566      2.005454     -1.927569
  C      -4.373707      3.286999     -2.460533
  C      -3.499098      4.119658     -1.802064
  C      -2.895384      3.659663     -0.610078
  N      -3.115723      2.468522     -0.080782
  C      -3.989088      1.634819     -0.710040
  C      -3.825077      5.109962      5.341935
  C      -4.844575      5.218361      4.214554
  C      -4.162816      5.217876      2.852936
  O      -5.022394      4.718285      1.808675
  C      -6.061679      5.465738      1.382038
  C      -6.279936      6.805029      1.671445
  C      -7.392343      7.451003      1.093890
  N      -8.264558      6.886897      0.269570
  C      -8.062557      5.566182     -0.018913
  C      -8.946764      4.900691     -0.903462
  C      -8.753127      3.561675     -1.168895
  C      -7.698287      2.880346     -0.528178
  N      -6.832895      3.461182      0.294331
  C      -6.995227      4.791072      0.532657
  C      -6.594834      1.737237      6.717471
  C      -7.309239      2.983697      7.280018
  C      -8.573332      3.303473      6.500662
  O      -8.182058      3.998788      5.289651
  C      -9.008370      3.869212      4.203849
  C      -9.680057      4.984184      3.719061
  C     -10.453679      4.869560      2.553097
  N     -10.570566      3.753527      1.833120
  C      -9.876007      2.664099      2.265982
  C      -9.860374      1.488196      1.469637
  C      -9.099464      0.403307      1.878064
  C      -8.418654      0.471688      3.106234
  N      -8.425158      1.541666      3.910142
  C      -9.098547      2.644749      3.476621
  H      -3.272132     -1.666550      4.390884
  H      -4.253760     -0.489037      3.509357
  H      -1.243304     -0.626367      3.014898
  H      -2.330181     -1.774613      2.221036
  H      -1.793147      0.354772      0.868105
  H      -2.782946      1.251207      2.048899
  H      -5.620271     -1.342804     -0.364326
  H      -6.623698     -0.544409     -2.495918
  H      -4.882621      3.582884     -3.379325
  H      -3.272234      5.118341     -2.177858
  H      -2.200616      4.308641     -0.066703
  H      -3.101911      5.943228      5.241127
  H      -4.354995      5.282749      6.301359
  H      -5.434288      6.133949      4.364736
  H      -5.546393      4.373330      4.262228
  H      -3.325923      4.507718      2.859453
  H      -3.776386      6.213060      2.576335
  H      -5.615093      7.366372      2.326059
  H      -7.563434      8.506826      1.329704
  H      -9.768266      5.469802     -1.340636
  H      -9.416928      3.016517     -1.841077
  H      -7.559525      1.810915     -0.698814
  H      -6.976148      0.837635      7.241412
  H      -6.862994      1.636733      5.658850
  H      -6.638008      3.855608      7.208113
  H      -7.561080      2.857948      8.344854
  H      -9.242036      3.971357      7.070466
  H      -9.123606      2.386288      6.239749
  H      -9.601758      5.936203      4.245638
  H     -10.995521      5.744557      2.180993
  H     -10.426987      1.486984      0.537991
  H      -9.015343     -0.496441      1.264369
  H      -7.855483     -0.396458      3.467150
  N      -4.900511      2.026602      3.843415
  N      -5.441921      1.907668      2.659063
  H      -5.398892      2.714139      2.019020
  H      -6.336314      1.399697      2.616093
102
Coordinates from ORCA-job orca E -6484.876680977798
  N      -2.852849      0.346021      4.841199
  Mo     -3.896479      1.994608      5.337379
  N      -5.147385      1.764600      6.827065
  C      -4.637701      1.723189      8.197164
  C      -3.215117      1.180281      8.198689
  N      -2.433135      1.812598      7.106752
  C      -1.317897      0.952612      6.645387
  C      -1.854354     -0.165717      5.773993
  C      -1.962729      3.175629      7.450496
  C      -1.837330      3.954004      6.147741
  N      -3.083859      3.845351      5.389084
  H      -1.002642     -0.623523      5.235536
  H      -2.288728     -0.978482      6.394709
  H      -0.648413      1.584349      6.045795
  H      -0.742521      0.562084      7.504087
  H      -1.596062      5.007161      6.369735
  H      -0.990537      3.560393      5.556815
  H      -2.726887      3.649220      8.082648
  H      -1.017940      3.127867      8.023406
  H      -5.269485      1.064679      8.822364
  H      -4.676008      2.725843      8.665924
  H      -3.247240      0.101607      7.992750
  H      -2.719241      1.331623      9.174469
  C      -3.216808     -0.673047      3.858608
  C      -2.246993     -0.738807      2.665400
  C      -2.568966      0.293570      1.602666
  O      -3.758656     -0.202678      0.930285
  C      -4.292695      0.362903     -0.164711
  C      -5.275636     -0.388709     -0.806064
  C      -5.858059      0.075776     -1.993472
  N      -5.575743      1.236329     -2.573765
  C      -4.670730      2.022708     -1.927041
  C      -4.402953      3.311169     -2.454099
  C      -3.530922      4.149299     -1.799239
  C      -2.909387      3.688024     -0.616781
  N      -3.111872      2.491469     -0.093054
  C      -3.982940      1.652563     -0.718255
  C      -3.825120      5.109868      5.339119
  C      -4.843868      5.211046      4.211123
  C      -4.163446      5.185532      2.848952
  O      -5.030704      4.683771      1.812816
  C      -6.056207      5.441324      1.371986
  C      -6.257151      6.787055      1.643807
  C      -7.356368      7.441893      1.051324
  N      -8.231346      6.880353      0.227993
  C      -8.046391      5.553603     -0.043072
  C      -8.934172      4.889995     -0.925392
  C      -8.757545      3.545396     -1.173864
  C      -7.716042      2.857212     -0.518685
  N      -6.848224      3.435744      0.302862
  C      -6.993798      4.770183      0.524673
  C      -6.601570      1.732335      6.724646
  C      -7.307192      2.985333      7.284354
  C      -8.572520      3.311420      6.509153
  O      -8.182586      4.009699      5.298828
  C      -9.006990      3.882831      4.211533
  C      -9.662696      5.003274      3.717209
  C     -10.434359      4.891318      2.549803
  N     -10.565202      3.771821      1.837527
  C      -9.886719      2.676279      2.279682
  C      -9.887559      1.493495      1.493180
  C      -9.141481      0.401733      1.910095
  C      -8.457242      0.471551      3.136295
  N      -8.449167      1.548049      3.931036
  C      -9.110326      2.655383      3.490950
  H      -3.250145     -1.660146      4.359636
  H      -4.228861     -0.478114      3.479965
  H      -1.215055     -0.575617      3.015148
  H      -2.273033     -1.740106      2.205486
  H      -1.762537      0.399700      0.863667
  H      -2.774771      1.278126      2.039107
  H      -5.573679     -1.347249     -0.378549
  H      -6.603170     -0.549489     -2.496737
  H      -4.924320      3.607162     -3.365846
  H      -3.319070      5.152761     -2.170999
  H      -2.215462      4.340859     -0.077000
  H      -3.097001      5.937564      5.228550
  H      -4.353788      5.296697      6.296563
  H      -5.425149      6.133815      4.349182
  H      -5.552491      4.372434      4.270098
  H      -3.335830      4.464750      2.864407
  H      -3.765382      6.172446      2.559789
  H      -5.588475      7.346523      2.296088
  H      -7.513593      8.502898      1.272972
  H      -9.744739      5.465209     -1.374793
  H      -9.424867      3.002388     -1.844223
  H      -7.589877      1.784108     -0.676511
  H      -6.987773      0.836955      7.252246
  H      -6.872255      1.630162      5.666923
  H      -6.630341      3.852362      7.206123
  H      -7.555170      2.865570      8.350763
  H      -9.236883      3.980601      7.082315
  H      -9.126496      2.397101      6.246857
  H      -9.573916      5.957221      4.238518
  H     -10.963223      5.770986      2.170184
  H     -10.454672      1.492223      0.561841
  H      -9.071116     -0.504743      1.304641
  H      -7.904344     -0.400539      3.503500
  N      -4.907416      2.011776      3.849219
  N      -5.461483      1.873364      2.671977
  H      -5.424709      2.670501      2.019643
  H      -6.358034      1.368382      2.647054
102
Coordinates from ORCA-job orca E -6484.877193607413
  N      -2.846934      0.349685      4.838607
  Mo     -3.901053      1.989926      5.345215
  N      -5.154137      1.750384      6.832916
  C      -4.646498      1.703460      8.203413
  C      -3.223446      1.162231      8.204057
  N      -2.441459      1.801551      7.116403
  C      -1.322918      0.946512      6.653845
  C      -1.853804     -0.167425      5.773678
  C      -1.974728      3.164069      7.467514
  C      -1.847864      3.949977      6.169300
  N      -3.091375      3.840580      5.405039
  H      -0.998152     -0.620500      5.237356
  H      -2.290682     -0.984448      6.387078
  H      -0.652061      1.582664      6.060455
  H      -0.750085      0.552233      7.512612
  H      -1.612009      5.002749      6.398626
  H      -0.996651      3.563379      5.579820
  H      -2.740695      3.632721      8.101134
  H      -1.030458      3.115425      8.041226
  H      -5.278658      1.041751      8.824933
  H      -4.686077      2.704081      8.676644
  H      -3.253307      0.084604      7.992333
  H      -2.729173      1.309428      9.181304
  C      -3.193955     -0.657824      3.838608
  C      -2.212495     -0.698719      2.653579
  C      -2.546542      0.332163      1.592803
  O      -3.722180     -0.184714      0.911742
  C      -4.272468      0.379495     -0.175542
  C      -5.249065     -0.382574     -0.814426
  C      -5.847880      0.080481     -1.994015
  N      -5.587711      1.248948     -2.569188
  C      -4.688054      2.043619     -1.925434
  C      -4.441851      3.338628     -2.447168
  C      -3.573056      4.183456     -1.796584
  C      -2.932807      3.722734     -0.623887
  N      -3.115908      2.521010     -0.104851
  C      -3.984130      1.675717     -0.725250
  C      -3.823514      5.109233      5.335578
  C      -4.841693      5.201239      4.206259
  C      -4.162410      5.150914      2.844122
  O      -5.036799      4.646728      1.815736
  C      -6.047814      5.413474      1.359069
  C      -6.230186      6.765724      1.610794
  C      -7.315486      7.428554      1.001658
  N      -8.193417      6.868731      0.180158
  C      -8.027115      5.535570     -0.070854
  C      -8.918668      4.872418     -0.949857
  C      -8.760408      3.521852     -1.177845
  C      -7.733263      2.827859     -0.506190
  N      -6.862911      3.405476      0.313046
  C      -6.990380      4.744767      0.515057
  C      -6.608315      1.728611      6.730661
  C      -7.303933      2.987873      7.288558
  C      -8.568196      3.321281      6.515030
  O      -8.175989      4.019907      5.305273
  C      -8.998803      3.896465      4.217128
  C      -9.637090      5.022626      3.713447
  C     -10.407044      4.913931      2.544500
  N     -10.553298      3.791338      1.840216
  C      -9.892654      2.689018      2.291956
  C      -9.911690      1.499853      1.515306
  C      -9.183202      0.400044      1.941411
  C      -8.497059      0.469409      3.166787
  N      -8.472491      1.552363      3.952160
  C      -9.117848      2.665482      3.504121
  H      -3.224991     -1.652013      4.325476
  H      -4.203132     -0.464343      3.451691
  H      -1.187052     -0.516599      3.013119
  H      -2.214314     -1.697593      2.187761
  H      -1.737567      0.456295      0.859367
  H      -2.773722      1.311376      2.031037
  H      -5.529420     -1.348238     -0.391203
  H      -6.587293     -0.553100     -2.495247
  H      -4.976301      3.633360     -3.351753
  H      -3.377560      5.191651     -2.164605
  H      -2.240215      4.380522     -0.088407
  H      -3.090236      5.930848      5.213658
  H      -4.350838      5.312621      6.290420
  H      -5.415610      6.130604      4.331285
  H      -5.556424      4.368666      4.276968
  H      -3.343719      4.420312      2.868478
  H      -3.753032      6.129517      2.542571
  H      -5.557200      7.324085      2.259649
  H      -7.458166      8.494856      1.207130
  H      -9.717538      5.452985     -1.413176
  H      -9.431328      2.979496     -1.845187
  H      -7.620311      1.751115     -0.648773
  H      -7.001050      0.836900      7.259652
  H      -6.880488      1.627268      5.673253
  H      -6.620698      3.849571      7.206478
  H      -7.550252      2.873200      8.355903
  H      -9.228269      3.993398      7.089616
  H      -9.127064      2.410385      6.251767
  H      -9.536709      5.978341      4.229483
  H     -10.922158      5.798486      2.157345
  H     -10.478516      1.499704      0.583738
  H      -9.128323     -0.512800      1.344198
  H      -7.957210     -0.407788      3.541146
  N      -4.911753      1.997898      3.857299
  N      -5.477488      1.839684      2.687809
  H      -5.448197      2.626879      2.022862
  H      -6.375869      1.336958      2.681418
102
Coordinates from ORCA-job orca E -6484.877688617772
  N      -2.841886      0.353645      4.836210
  Mo     -3.905628      1.985669      5.353108
  N      -5.160738      1.736101      6.839089
  C      -4.654482      1.681676      8.209687
  C      -3.231050      1.142013      8.207840
  N      -2.449515      1.790028      7.125050
  C      -1.327140      0.941162      6.660859
  C      -1.851911     -0.167919      5.771260
  C      -1.987129      3.151707      7.484869
  C      -1.858274      3.946388      6.192538
  N      -3.098064      3.836105      5.421977
  H      -0.992283     -0.614086      5.235372
  H      -2.288399     -0.990818      6.377087
  H      -0.654702      1.582674      6.075150
  H      -0.757243      0.542172      7.519497
  H      -1.628906      4.998626      6.430488
  H      -1.002052      3.568233      5.604593
  H      -2.755610      3.614571      8.119615
  H      -1.043788      3.102104      8.059991
  H      -5.286729      1.015810      8.826744
  H      -4.695374      2.679581      8.688720
  H      -3.259494      0.065992      7.987929
  H      -2.737399      1.282693      9.186350
  C      -3.172140     -0.642966      3.820247
  C      -2.180792     -0.657691      2.642414
  C      -2.527914      0.371359      1.583931
  O      -3.688057     -0.166972      0.893375
  C      -4.253943      0.394288     -0.187211
  C      -5.222488     -0.380069     -0.823790
  C      -5.837191      0.079563     -1.996211
  N      -5.600597      1.255543     -2.566706
  C      -4.708190      2.060368     -1.925835
  C      -4.485640      3.361874     -2.442137
  C      -3.622628      4.215269     -1.794964
  C      -2.963827      3.757173     -0.631791
  N      -3.125508      2.550383     -0.117391
  C      -3.988494      1.696790     -0.733517
  C      -3.818712      5.109588      5.333441
  C      -4.838488      5.193248      4.205489
  C      -4.162529      5.118227      2.843079
  O      -5.045372      4.613346      1.823280
  C      -6.040911      5.389479      1.350812
  C      -6.204198      6.747718      1.582037
  C      -7.273945      7.418234      0.953766
  N      -8.152666      6.860530      0.131636
  C      -8.005069      5.521520     -0.099050
  C      -8.897109      4.859215     -0.978243
  C      -8.756667      3.503386     -1.185493
  C      -7.747044      2.803581     -0.493271
  N      -6.877349      3.380115      0.327175
  C      -6.986883      4.723665      0.508475
  C      -6.614992      1.726192      6.737456
  C      -7.300464      2.992069      7.293480
  C      -8.563426      3.333550      6.520921
  O      -8.167517      4.027311      5.309352
  C      -8.988666      3.906983      4.219924
  C      -9.608457      5.038318      3.704928
  C     -10.376590      4.931501      2.534463
  N     -10.538853      3.805419      1.839865
  C      -9.896933      2.696897      2.302816
  C      -9.934109      1.501183      1.537081
  C      -9.223349      0.394063      1.973534
  C      -8.536215      0.463833      3.198470
  N      -8.495788      1.553442      3.973755
  C      -9.124372      2.671840      3.516167
  H      -3.197777     -1.643969      4.293218
  H      -4.179519     -0.452988      3.427190
  H      -1.162248     -0.456365      3.011031
  H      -2.158276     -1.653478      2.170633
  H      -1.716528      0.515188      0.856813
  H      -2.778146      1.344495      2.023484
  H      -5.484406     -1.352529     -0.404563
  H      -6.569829     -0.563237     -2.495587
  H      -5.033002      3.653912     -3.339843
  H      -3.445606      5.228479     -2.158380
  H      -2.274563      4.421389     -0.100018
  H      -3.079152      5.923419      5.197266
  H      -4.341412      5.331508      6.286715
  H      -5.403942      6.129245      4.318582
  H      -5.559746      4.367561      4.289239
  H      -3.353243      4.377501      2.873758
  H      -3.741546      6.088155      2.529542
  H      -5.527800      7.304777      2.228468
  H      -7.402189      8.489409      1.142596
  H      -9.682059      5.444928     -1.458591
  H      -9.428451      2.961936     -1.852666
  H      -7.647143      1.723630     -0.620259
  H      -7.014847      0.838438      7.267800
  H      -6.888902      1.625845      5.680485
  H      -6.610673      3.848185      7.207974
  H      -7.545758      2.882512      8.361566
  H      -9.217399      4.011984      7.095046
  H      -9.129699      2.426689      6.260185
  H      -9.495937      5.996558      4.213609
  H     -10.876925      5.820456      2.138167
  H     -10.500104      1.501457      0.605005
  H      -9.183627     -0.525064      1.385058
  H      -8.009608     -0.417745      3.581017
  N      -4.918737      1.986899      3.865984
  N      -5.498018      1.811233      2.705334
  H      -5.476158      2.588541      2.028127
  H      -6.397161      1.310256      2.715637
102
Coordinates from ORCA-job orca E -6484.878173599236
  N      -2.836876      0.357072      4.835153
  Mo     -3.908802      1.981378      5.361280
  N      -5.166444      1.722310      6.844826
  C      -4.662260      1.659049      8.215553
  C      -3.238745      1.120369      8.211285
  N      -2.457116      1.777493      7.134031
  C      -1.330268      0.935377      6.668499
  C      -1.849046     -0.168638      5.769545
  C      -2.000550      3.138732      7.503349
  C      -1.867891      3.942625      6.217255
  N      -3.102733      3.831171      5.438005
  H      -0.986204     -0.608395      5.233407
  H      -2.284358     -0.997330      6.368351
  H      -0.656629      1.582838      6.090809
  H      -0.763275      0.531673      7.526952
  H      -1.645915      4.994259      6.464535
  H      -1.005523      3.573826      5.632036
  H      -2.773301      3.595312      8.137443
  H      -1.059393      3.088849      8.082053
  H      -5.294976      0.988628      8.827297
  H      -4.704702      2.653838      8.701116
  H      -3.266392      0.046234      7.982163
  H      -2.745615      1.253312      9.191126
  C      -3.151304     -0.628720      3.803989
  C      -2.152359     -0.614661      2.631932
  C      -2.514385      0.413994      1.577970
  O      -3.658395     -0.144184      0.876436
  C      -4.237527      0.415766     -0.197868
  C      -5.198157     -0.368956     -0.834021
  C      -5.825189      0.088222     -2.000730
  N      -5.607979      1.270409     -2.566434
  C      -4.722424      2.083649     -1.926784
  C      -4.518521      3.390033     -2.438331
  C      -3.660727      4.250276     -1.793122
  C      -2.987986      3.794549     -0.637259
  N      -3.132725      2.583789     -0.126667
  C      -3.991024      1.723609     -0.740118
  C      -3.811733      5.109358      5.327966
  C      -4.833759      5.183472      4.201396
  C      -4.162272      5.084305      2.838596
  O      -5.054148      4.576901      1.828462
  C      -6.034673      5.360529      1.339302
  C      -6.178813      6.724542      1.547928
  C      -7.234053      7.400597      0.900924
  N      -8.114804      6.843265      0.080783
  C      -7.986466      5.498425     -0.127237
  C      -8.880904      4.834958     -1.003189
  C      -8.759220      3.473952     -1.186860
  C      -7.765779      2.770390     -0.475095
  N      -6.894524      3.347718      0.343107
  C      -6.985650      4.695539      0.501379
  C      -6.620230      1.724291      6.742198
  C      -7.295408      2.995823      7.297745
  C      -8.555943      3.346463      6.525613
  O      -8.155395      4.034569      5.312269
  C      -8.976509      3.917700      4.222974
  C      -9.577321      5.054760      3.698656
  C     -10.345782      4.951623      2.527888
  N     -10.526395      3.823164      1.842258
  C      -9.903706      2.707672      2.314735
  C      -9.961520      1.506778      1.558665
  C      -9.269690      0.391240      2.003613
  C      -8.580681      0.458989      3.227753
  N      -8.522014      1.553914      3.994352
  C      -9.131950      2.679138      3.528384
  H      -3.168332     -1.636662      4.262334
  H      -4.158507     -0.444360      3.407944
  H      -1.140838     -0.394114      3.008626
  H      -2.105524     -1.606227      2.153061
  H      -1.701407      0.580535      0.857535
  H      -2.788874      1.379080      2.021212
  H      -5.444572     -1.347217     -0.419100
  H      -6.551232     -0.562048     -2.500150
  H      -5.075250      3.679799     -3.331031
  H      -3.498181      5.267372     -2.152583
  H      -2.301621      4.463772     -0.107966
  H      -3.065579      5.914563      5.176299
  H      -4.329335      5.351541      6.279164
  H      -5.391828      6.125471      4.301989
  H      -5.560672      4.364286      4.299019
  H      -3.360827      4.335411      2.874741
  H      -3.731687      6.045886      2.512276
  H      -5.498311      7.281751      2.189955
  H      -7.347804      8.476479      1.071633
  H      -9.652901      5.424229     -1.500018
  H      -9.433577      2.931643     -1.850772
  H      -7.680310      1.687159     -0.583778
  H      -7.028036      0.839875      7.272148
  H      -6.894731      1.626301      5.685224
  H      -6.599034      3.846528      7.211221
  H      -7.540940      2.889522      8.366117
  H      -9.203340      4.031893      7.098919
  H      -9.130445      2.444142      6.267522
  H      -9.450531      6.014888      4.200426
  H     -10.831167      5.845603      2.124301
  H     -10.527658      1.509389      0.626627
  H      -9.246826     -0.532941      1.422354
  H      -8.068321     -0.427959      3.617021
  N      -4.923863      1.977540      3.875293
  N      -5.515763      1.784388      2.723892
  H      -5.503564      2.552210      2.035352
  H      -6.415567      1.285141      2.752971
102
Coordinates from ORCA-job orca E -6484.878659041100
  N      -2.833440      0.359942      4.834053
  Mo     -3.912161      1.977257      5.368527
  N      -5.172022      1.708122      6.849781
  C      -4.669634      1.634871      8.220349
  C      -3.245901      1.097599      8.212865
  N      -2.464377      1.764479      7.141410
  C      -1.332783      0.929772      6.674471
  C      -1.845797     -0.169131      5.766356
  C      -2.014226      3.125200      7.520743
  C      -1.877442      3.938841      6.241716
  N      -3.106878      3.826127      5.453313
  H      -0.980547     -0.602046      5.228516
  H      -2.278454     -1.003953      6.358565
  H      -0.658645      1.583755      6.104817
  H      -0.768314      0.521535      7.532462
  H      -1.663975      4.989720      6.499299
  H      -1.008492      3.580796      5.659274
  H      -2.791845      3.575262      8.153487
  H      -1.075774      3.075140      8.103801
  H      -5.302540      0.959203      8.826207
  H      -4.713934      2.626009      8.713320
  H      -3.272919      0.025634      7.973678
  H      -2.752751      1.222009      9.193785
  C      -3.132176     -0.615805      3.788759
  C      -2.127043     -0.573138      2.622037
  C      -2.502882      0.455342      1.573100
  O      -3.630386     -0.121447      0.859951
  C      -4.221148      0.437242     -0.208828
  C      -5.172967     -0.357862     -0.845333
  C      -5.811335      0.096623     -2.006775
  N      -5.613817      1.284982     -2.566752
  C      -4.736118      2.106883     -1.927365
  C      -4.551425      3.418116     -2.433400
  C      -3.699605      4.285340     -1.789450
  C      -3.013192      3.831973     -0.641008
  N      -3.140672      2.617318     -0.134797
  C      -3.993433      1.750329     -0.746290
  C      -3.801716      5.109893      5.321858
  C      -4.828156      5.175635      4.199334
  C      -4.163653      5.052790      2.835516
  O      -5.065330      4.542093      1.836309
  C      -6.030733      5.331985      1.329507
  C      -6.156706      6.701119      1.514976
  C      -7.196870      7.381152      0.847762
  N      -8.077919      6.823357      0.028394
  C      -7.967493      5.473469     -0.156610
  C      -8.862256      4.808370     -1.030839
  C      -8.758222      3.443034     -1.190987
  C      -7.782187      2.736859     -0.457811
  N      -6.911346      3.315512      0.360149
  C      -6.984849      4.666964      0.494919
  C      -6.625524      1.722722      6.746391
  C      -7.290131      2.999606      7.302811
  C      -8.548461      3.361441      6.532156
  O      -8.143107      4.041521      5.315903
  C      -8.964272      3.928066      4.226366
  C      -9.545852      5.070507      3.692128
  C     -10.314289      4.970841      2.520920
  N     -10.513194      3.840245      1.844444
  C      -9.909848      2.718332      2.326988
  C      -9.987658      1.512640      1.580631
  C      -9.314055      0.389448      2.034201
  C      -8.623692      0.455655      3.257580
  N      -8.547846      1.555290      4.015790
  C      -9.139373      2.686736      3.541206
  H      -3.138731     -1.630027      4.233152
  H      -4.140074     -0.438808      3.391068
  H      -1.122819     -0.334435      3.006807
  H      -2.056916     -1.559827      2.135978
  H      -1.688572      0.644803      0.860041
  H      -2.801084      1.411387      2.020811
  H      -5.404307     -1.341550     -0.434641
  H      -6.529808     -0.561296     -2.507190
  H      -5.117084      3.705662     -3.321178
  H      -3.551749      5.306236     -2.144425
  H      -2.330328      4.506215     -0.113543
  H      -3.047615      5.904210      5.152188
  H      -4.310992      5.374146      6.271695
  H      -5.378141      6.123533      4.288449
  H      -5.560910      4.363634      4.312033
  H      -3.369050      4.297020      2.875598
  H      -3.725085      6.006160      2.495809
  H      -5.473356      7.259132      2.153266
  H      -7.296958      8.461169      1.000071
  H      -9.620616      5.400123     -1.545456
  H      -9.433835      2.899775     -1.852811
  H      -7.711379      1.650740     -0.547378
  H      -7.041711      0.841615      7.275444
  H      -6.900670      1.627558      5.689441
  H      -6.586864      3.844672      7.216441
  H      -7.535953      2.894997      8.371292
  H      -9.187002      4.055869      7.104590
  H      -9.133449      2.464733      6.278483
  H      -9.404608      6.032580      4.186170
  H     -10.784014      5.869647      2.109556
  H     -10.553689      1.517375      0.648537
  H      -9.306701     -0.539207      1.459748
  H      -8.124825     -0.435952      3.653435
  N      -4.931086      1.970543      3.884465
  N      -5.537189      1.760896      2.743159
  H      -5.534341      2.518924      2.043227
  H      -6.436718      1.263128      2.790438
102
Coordinates from ORCA-job orca E -6484.879148980283
  N      -2.830426      0.362846      4.833502
  Mo     -3.914802      1.973506      5.375816
  N      -5.177365      1.693652      6.853934
  C      -4.677718      1.609704      8.224441
  C      -3.253610      1.074252      8.214252
  N      -2.471695      1.751143      7.149251
  C      -1.335061      0.924117      6.681027
  C      -1.842357     -0.169644      5.763590
  C      -2.029059      3.111492      7.539148
  C      -1.887115      3.935243      6.267586
  N      -3.110190      3.821238      5.468326
  H      -0.975354     -0.596092      5.223509
  H      -2.272425     -1.010441      6.349204
  H      -0.661122      1.584952      6.119079
  H      -0.772750      0.511825      7.538461
  H      -1.683333      4.985216      6.536345
  H      -1.010716      3.589139      5.688797
  H      -2.812672      3.554677      8.169313
  H      -1.094234      3.061617      8.128026
  H      -5.310950      0.928259      8.823570
  H      -4.724524      2.596717      8.725529
  H      -3.279536      0.004560      7.964922
  H      -2.760917      1.190113      9.196430
  C      -3.114356     -0.602255      3.774050
  C      -2.103828     -0.533026      2.612698
  C      -2.491445      0.495405      1.568337
  O      -3.603746     -0.097154      0.844060
  C      -4.204747      0.461129     -0.219582
  C      -5.148364     -0.342943     -0.856925
  C      -5.797215      0.109688     -2.013229
  N      -5.618224      1.303940     -2.566547
  C      -4.747902      2.133382     -1.926711
  C      -4.581887      3.449315     -2.426407
  C      -3.735381      4.322665     -1.783523
  C      -3.035473      3.870657     -0.642860
  N      -3.146595      2.652230     -0.141555
  C      -3.994348      1.779233     -0.751484
  C      -3.788955      5.111185      5.313273
  C      -4.820576      5.169065      4.195521
  C      -4.164434      5.022494      2.830429
  O      -5.076505      4.506618      1.843647
  C      -6.027218      5.301081      1.318155
  C      -6.135770      6.674843      1.479454
  C      -7.161605      7.357062      0.792518
  N      -8.043513      6.797438     -0.024603
  C      -7.950422      5.443022     -0.185474
  C      -8.846643      4.775173     -1.055939
  C      -8.760266      3.405996     -1.191638
  C      -7.800469      2.699000     -0.438174
  N      -6.928877      3.279916      0.377780
  C      -6.984745      4.634570      0.488308
  C      -6.630377      1.720655      6.748546
  C      -7.284122      3.002264      7.306814
  C      -8.539581      3.376687      6.537825
  O      -8.129035      4.048383      5.318669
  C      -8.951094      3.938628      4.229519
  C      -9.513506      5.086523      3.686482
  C     -10.283026      4.991238      2.515560
  N     -10.501374      3.859132      1.847794
  C      -9.917130      2.730840      2.339360
  C     -10.015718      1.521144      1.602099
  C      -9.359638      0.390437      2.062856
  C      -8.666746      0.454442      3.284737
  N      -8.572980      1.557815      4.035328
  C      -9.146685      2.695551      3.553415
  H      -3.111285     -1.622321      4.204698
  H      -4.123007     -0.431830      3.375088
  H      -1.106675     -0.278396      3.005405
  H      -2.012642     -1.514782      2.120171
  H      -1.676258      0.705762      0.862415
  H      -2.810700      1.442361      2.021007
  H      -5.365895     -1.331485     -0.450352
  H      -6.508484     -0.554974     -2.515110
  H      -5.156358      3.735471     -3.308960
  H      -3.601354      5.347055     -2.133986
  H      -2.355547      4.549168     -0.116996
  H      -3.025644      5.892470      5.124428
  H      -4.288632      5.399403      6.261187
  H      -5.362441      6.122768      4.273056
  H      -5.559285      4.364803      4.323931
  H      -3.375373      4.261372      2.874611
  H      -3.719726      5.967682      2.476061
  H      -5.449631      7.234651      2.113173
  H      -7.248268      8.440787      0.925855
  H      -9.592338      5.368096     -1.587491
  H      -9.438189      2.861069     -1.849737
  H      -7.744897      1.610439     -0.507564
  H      -7.055438      0.842525      7.275603
  H      -6.905276      1.629038      5.691349
  H      -6.573576      3.841485      7.222254
  H      -7.530948      2.897797      8.375122
  H      -9.168217      4.080672      7.109538
  H      -9.135971      2.486372      6.288553
  H      -9.356609      6.049996      4.173039
  H     -10.736879      5.895050      2.097329
  H     -10.582638      1.528663      0.670569
  H      -9.367645     -0.541852      1.494292
  H      -8.180774     -0.441877      3.685901
  N      -4.936897      1.965207      3.893870
  N      -5.556502      1.738833      2.762732
  H      -5.564365      2.487504      2.052420
  H      -6.455199      1.242161      2.829304
102
Coordinates from ORCA-job orca E -6484.879649557287
  N      -2.827131      0.366979      4.832957
  Mo     -3.917284      1.970281      5.383334
  N      -5.182510      1.677318      6.857628
  C      -4.686105      1.582021      8.228039
  C      -3.260802      1.050282      8.215250
  N      -2.478876      1.738466      7.157360
  C      -1.336516      0.920512      6.687245
  C      -1.837226     -0.168246      5.760154
  C      -2.045582      3.098593      7.558509
  C      -1.898582      3.933180      6.295135
  N      -3.114397      3.817181      5.483810
  H      -0.968729     -0.587258      5.216906
  H      -2.263908     -1.015514      6.338836
  H      -0.664282      1.589194      6.132524
  H      -0.775318      0.504894      7.543694
  H      -1.706605      4.982144      6.576188
  H      -1.013815      3.601111      5.720593
  H      -2.836263      3.533812      8.185351
  H      -1.115016      3.049662      8.154153
  H      -5.319021      0.893564      8.819544
  H      -4.736752      2.564207      8.738277
  H      -3.284050     -0.017025      7.955625
  H      -2.769069      1.157990      9.198829
  C      -3.096584     -0.587140      3.759609
  C      -2.081681     -0.493010      2.603548
  C      -2.480415      0.534914      1.563191
  O      -3.578976     -0.072162      0.829783
  C      -4.190175      0.485443     -0.228775
  C      -5.125710     -0.327306     -0.866696
  C      -5.785433      0.123398     -2.017588
  N      -5.625761      1.323592     -2.563329
  C      -4.762888      2.160480     -1.922890
  C      -4.617309      3.481412     -2.415052
  C      -3.775901      4.360901     -1.773595
  C      -3.060545      3.909611     -0.642296
  N      -3.154128      2.687317     -0.146877
  C      -3.997288      1.808401     -0.754724
  C      -3.774475      5.113853      5.303168
  C      -4.811407      5.164438      4.190724
  C      -4.164049      4.992405      2.824734
  O      -5.086582      4.470158      1.851414
  C      -6.021907      5.268389      1.305518
  C      -6.112918      6.646281      1.441798
  C      -7.123952      7.329863      0.734809
  N      -8.006785      6.767882     -0.079715
  C      -7.930959      5.409583     -0.215677
  C      -8.828956      4.738918     -1.081882
  C      -8.760625      3.366472     -1.192925
  C      -7.817152      2.659544     -0.419327
  N      -6.944728      3.242767      0.394564
  C      -6.982403      4.599979      0.480655
  C      -6.635120      1.716046      6.749407
  C      -7.278545      3.001439      7.310729
  C      -8.530841      3.389648      6.543738
  O      -8.114653      4.053421      5.322146
  C      -8.937339      3.948898      4.232872
  C      -9.479713      5.102725      3.681686
  C     -10.249700      5.013246      2.510666
  N     -10.488182      3.880503      1.850675
  C      -9.923858      2.745632      2.350658
  C     -10.043660      1.532801      1.621706
  C      -9.405447      0.394379      2.088945
  C      -8.709897      0.455251      3.309172
  N      -8.597758      1.561349      4.052928
  C      -9.153551      2.705528      3.564630
  H      -3.084235     -1.612552      4.177017
  H      -4.105985     -0.422948      3.359540
  H      -1.091304     -0.223842      3.003590
  H      -1.971089     -1.469954      2.105475
  H      -1.665427      0.764014      0.863182
  H      -2.818052      1.473017      2.021147
  H      -5.329097     -1.320454     -0.463994
  H      -6.489010     -0.548326     -2.520970
  H      -5.202000      3.766637     -3.291147
  H      -3.656754      5.388803     -2.119076
  H      -2.383178      4.592290     -0.118447
  H      -3.000442      5.879508      5.094165
  H      -4.263260      5.427874      6.248392
  H      -5.344323      6.124202      4.255788
  H      -5.556897      4.369176      4.335450
  H      -3.380304      4.226326      2.874541
  H      -3.713620      5.928624      2.454243
  H      -5.424304      7.208144      2.070993
  H      -7.196782      8.416847      0.848759
  H      -9.561944      5.332402     -1.630222
  H      -9.441300      2.820187     -1.847049
  H      -7.777275      1.569127     -0.468470
  H      -7.068915      0.840237      7.273281
  H      -6.909029      1.628782      5.691728
  H      -6.560660      3.834835      7.229654
  H      -7.526952      2.895282      8.378563
  H      -9.148813      4.103164      7.115205
  H      -9.139128      2.506447      6.298280
  H      -9.306485      6.066813      4.161447
  H     -10.686418      5.922438      2.085847
  H     -10.611548      1.544022      0.690824
  H      -9.428694     -0.540893      1.525657
  H      -8.237052     -0.446061      3.714864
  N      -4.942732      1.961317      3.903942
  N      -5.575877      1.717809      2.783203
  H      -5.594324      2.456868      2.062728
  H      -6.473012      1.221947      2.869208
102
Coordinates from ORCA-job orca E -6484.880153812976
  N      -2.823105      0.372217      4.832844
  Mo     -3.919044      1.967618      5.391231
  N      -5.187025      1.659404      6.860730
  C      -4.694560      1.552705      8.231143
  C      -3.267236      1.026416      8.216393
  N      -2.485647      1.726919      7.166264
  C      -1.337121      0.919267      6.693477
  C      -1.830386     -0.164957      5.756825
  C      -2.063500      3.086897      7.579148
  C      -1.912032      3.933196      6.324705
  N      -3.119661      3.814250      5.500199
  H      -0.960367     -0.575607      5.209983
  H      -2.253264     -1.018952      6.328289
  H      -0.668113      1.596405      6.145046
  H      -0.775794      0.501228      7.548524
  H      -1.734183      4.981002      6.619110
  H      -1.017985      3.617430      5.755059
  H      -2.862148      3.512725      8.202289
  H      -1.137590      3.039798      8.182130
  H      -5.326624      0.856393      8.814408
  H      -4.750162      2.529595      8.751103
  H      -3.285966     -0.038522      7.946911
  H      -2.777393      1.126909      9.201691
  C      -3.079614     -0.570628      3.746365
  C      -2.061445     -0.454826      2.595164
  C      -2.469789      0.572635      1.557953
  O      -3.556871     -0.046368      0.817333
  C      -4.176941      0.510216     -0.237161
  C      -5.105214     -0.310137     -0.875591
  C      -5.774845      0.138582     -2.021586
  N      -5.633057      1.344036     -2.559904
  C      -4.777105      2.187571     -1.918716
  C      -4.652004      3.513346     -2.402894
  C      -3.815582      4.398770     -1.762848
  C      -3.084318      3.947769     -0.641531
  N      -3.160735      2.721838     -0.152315
  C      -3.999865      1.837338     -0.757780
  C      -3.759123      5.117591      5.292138
  C      -4.800911      5.161221      4.184776
  C      -4.162422      4.962354      2.818356
  O      -5.095497      4.433143      1.859393
  C      -6.015706      5.234376      1.292923
  C      -6.089255      6.615766      1.404161
  C      -7.086035      7.300085      0.678382
  N      -7.970770      6.735440     -0.132477
  C      -7.911943      5.374022     -0.243662
  C      -8.812745      4.700545     -1.104618
  C      -8.762021      3.325444     -1.191963
  C      -7.833423      2.619631     -0.400166
  N      -6.959612      3.205079      0.410915
  C      -6.979411      4.564015      0.473831
  C      -6.639181      1.709453      6.748615
  C      -7.272279      2.998388      7.312960
  C      -8.520716      3.400957      6.547514
  O      -8.098495      4.056953      5.323650
  C      -8.922607      3.958811      4.234819
  C      -9.445139      5.118711      3.676706
  C     -10.216918      5.035874      2.506537
  N     -10.477094      3.903148      1.854188
  C      -9.932396      2.761803      2.361153
  C     -10.075176      1.546502      1.640387
  C      -9.454415      0.400379      2.112562
  C      -8.753461      0.457493      3.329595
  N      -8.620839      1.565631      4.066516
  C      -9.160075      2.716153      3.573705
  H      -3.059645     -1.600802      4.151511
  H      -4.089418     -0.411004      3.345114
  H      -1.076912     -0.173592      3.001409
  H      -1.934446     -1.427468      2.092640
  H      -1.655601      0.816870      0.862420
  H      -2.821869      1.503004      2.021129
  H      -5.295639     -1.307116     -0.476025
  H      -6.471231     -0.539736     -2.526129
  H      -5.247422      3.797938     -3.271909
  H      -3.711762      5.430063     -2.103086
  H      -2.409212      4.634434     -0.119882
  H      -2.973457      5.865775      5.063426
  H      -4.236897      5.458027      6.233572
  H      -5.324494      6.127027      4.236687
  H      -5.553773      4.375974      4.345755
  H      -3.384055      4.191361      2.875553
  H      -3.706494      5.888791      2.430640
  H      -5.397836      7.179746      2.028368
  H      -7.144747      8.389773      0.773144
  H      -9.533911      5.294014     -1.668403
  H      -9.445907      2.777961     -1.841743
  H      -7.808058      1.528081     -0.430661
  H      -7.081729      0.835631      7.268485
  H      -6.911266      1.627064      5.690205
  H      -6.546631      3.825540      7.236115
  H      -7.522928      2.890131      8.380128
  H      -9.127696      4.123958      7.118752
  H      -9.141007      2.525360      6.305304
  H      -9.254513      6.082649      4.150177
  H     -10.636542      5.950394      2.075962
  H     -10.645902      1.562027      0.711340
  H      -9.494284     -0.537487      1.554574
  H      -8.293205     -0.448990      3.738400
  N      -4.947084      1.958400      3.914309
  N      -5.592517      1.697617      2.803579
  H      -5.622692      2.428191      2.074619
  H      -6.487275      1.201646      2.909039
102
Coordinates from ORCA-job orca E -6484.880653957317
  N      -2.818216      0.378452      4.831585
  Mo     -3.920766      1.965651      5.398029
  N      -5.191074      1.641025      6.862832
  C      -4.702188      1.523268      8.233079
  C      -3.272566      1.003334      8.216468
  N      -2.492160      1.716641      7.174126
  C      -1.337544      0.919920      6.698001
  C      -1.822947     -0.160093      5.752464
  C      -2.081257      3.076192      7.598667
  C      -1.926820      3.934844      6.353352
  N      -3.126531      3.812407      5.516526
  H      -0.950781     -0.561825      5.202673
  H      -2.241963     -1.020666      6.316790
  H      -0.672324      1.605417      6.155299
  H      -0.775328      0.499696      7.551323
  H      -1.763681      4.981230      6.661130
  H      -1.023787      3.636115      5.788359
  H      -2.887318      3.491854      8.219080
  H      -1.159350      3.031065      8.207889
  H      -5.332862      0.818944      8.808263
  H      -4.762953      2.494831      8.762575
  H      -3.285785     -0.059234      7.937596
  H      -2.784968      1.097347      9.203534
  C      -3.062288     -0.553669      3.733308
  C      -2.041316     -0.417065      2.586999
  C      -2.459814      0.610011      1.553269
  O      -3.535750     -0.020393      0.806379
  C      -4.164994      0.534887     -0.243637
  C      -5.086985     -0.291885     -0.882664
  C      -5.766142      0.155668     -2.023494
  N      -5.640200      1.365878     -2.554898
  C      -4.789770      2.214658     -1.913150
  C      -4.681854      3.544637     -2.389825
  C      -3.848942      4.434446     -1.750944
  C      -3.103346      3.983078     -0.639239
  N      -3.165323      2.754020     -0.156098
  C      -4.002005      1.865565     -0.759172
  C      -3.745948      5.120954      5.281070
  C      -4.791358      5.157114      4.177471
  C      -4.161262      4.930737      2.811373
  O      -5.104904      4.396156      1.866528
  C      -6.010469      5.199916      1.280595
  C      -6.066374      6.584018      1.367248
  C      -7.049304      7.268665      0.623538
  N      -7.936445      6.701484     -0.183226
  C      -7.894676      5.337703     -0.270248
  C      -8.798314      4.661455     -1.125973
  C      -8.764258      3.284414     -1.190784
  C      -7.849665      2.580278     -0.381742
  N      -6.974774      3.167978      0.426646
  C      -6.977640      4.527950      0.467415
  C      -6.642814      1.701902      6.748152
  C      -7.265972      2.994335      7.315266
  C      -8.510712      3.410466      6.551321
  O      -8.082824      4.059829      5.325712
  C      -8.907925      3.969013      4.237138
  C      -9.410645      5.134840      3.672886
  C     -10.183971      5.059260      2.503383
  N     -10.465592      3.927484      1.857973
  C      -9.940726      2.779746      2.371080
  C     -10.107042      1.562789      1.658109
  C      -9.504904      0.408777      2.135075
  C      -8.797920      0.461224      3.348735
  N      -8.643668      1.570923      4.078618
  C      -9.166336      2.727631      3.582073
  H      -3.035077     -1.588073      4.127124
  H      -4.072059     -0.398215      3.330221
  H      -1.062490     -0.124145      2.998870
  H      -1.898423     -1.385126      2.079969
  H      -1.646925      0.868796      0.861661
  H      -2.825587      1.532895      2.021224
  H      -5.265378     -1.292515     -0.486686
  H      -6.456355     -0.528222     -2.528988
  H      -5.287004      3.829130     -3.252089
  H      -3.758645      5.468817     -2.085483
  H      -2.429434      4.672663     -0.119831
  H      -2.949522      5.852155      5.034794
  H      -4.214268      5.486467      6.217632
  H      -5.305583      6.128683      4.215667
  H      -5.551463      4.382148      4.353863
  H      -3.389619      4.153584      2.876557
  H      -3.698708      5.846576      2.406855
  H      -5.371638      7.149799      1.986139
  H      -7.093881      8.360500      0.699235
  H      -9.508047      5.254440     -1.704559
  H      -9.450880      2.735811     -1.836693
  H      -7.836951      1.488122     -0.395261
  H      -7.093058      0.830016      7.264605
  H      -6.913877      1.624225      5.689213
  H      -6.532906      3.815286      7.241721
  H      -7.518373      2.884684      8.381914
  H      -9.107297      4.141996      7.122585
  H      -9.142102      2.542281      6.311611
  H      -9.203063      6.097796      4.141230
  H     -10.586868      5.978785      2.067564
  H     -10.680605      1.583218      0.730913
  H      -9.562871     -0.531501      1.582848
  H      -8.350698     -0.450508      3.760389
  N      -4.951557      1.954923      3.923546
  N      -5.609242      1.675741      2.823615
  H      -5.651925      2.398154      2.086810
  H      -6.501300      1.180024      2.948717
102
Coordinates from ORCA-job orca E -6484.881151750539
  N      -2.811234      0.387203      4.831161
  Mo     -3.920227      1.966310      5.404425
  N      -5.191885      1.620982      6.863543
  C      -4.706644      1.492933      8.233765
  C      -3.272602      0.983676      8.216097
  N      -2.495500      1.712291      7.182076
  C      -1.334228      0.929843      6.699774
  C      -1.809973     -0.148687      5.747475
  C      -2.099655      3.071566      7.618903
  C      -1.945865      3.944303      6.384214
  N      -3.136278      3.815382      5.534100
  H      -0.934895     -0.538295      5.193877
  H      -2.222465     -1.016594      6.305227
  H      -0.676885      1.624773      6.159358
  H      -0.767090      0.510156      7.550080
  H      -1.802536      4.989248      6.706909
  H      -1.032300      3.667659      5.824534
  H      -2.914132      3.473275      8.237485
  H      -1.181371      3.031012      8.233883
  H      -5.333995      0.778830      8.800509
  H      -4.774615      2.458528      8.773537
  H      -3.275831     -0.076788      7.929378
  H      -2.789016      1.073984      9.205547
  C      -3.049042     -0.537620      3.726242
  C      -2.028178     -0.392388      2.581572
  C      -2.450939      0.635007      1.548744
  O      -3.523903      0.001667      0.801169
  C      -4.155977      0.555792     -0.248087
  C      -5.076464     -0.272137     -0.887588
  C      -5.758704      0.175382     -2.026639
  N      -5.637369      1.387254     -2.555297
  C      -4.787799      2.236682     -1.913438
  C      -4.686338      3.568590     -2.386810
  C      -3.852951      4.459191     -1.749513
  C      -3.099120      4.005735     -0.643987
  N      -3.156867      2.775713     -0.163302
  C      -3.995776      1.887061     -0.763116
  C      -3.733829      5.128431      5.268908
  C      -4.782200      5.157300      4.169025
  C      -4.160629      4.902852      2.803381
  O      -5.114607      4.362511      1.874044
  C      -6.008976      5.168944      1.273601
  C      -6.050045      6.554758      1.341120
  C      -7.022722      7.240296      0.585631
  N      -7.914187      6.671321     -0.216004
  C      -7.886070      5.306355     -0.284425
  C      -8.793674      4.628260     -1.134800
  C      -8.770777      3.249843     -1.184852
  C      -7.864069      2.547750     -0.365968
  N      -6.988481      3.136786      0.440137
  C      -6.979389      4.496747      0.466605
  C      -6.643519      1.690255      6.745381
  C      -7.258387      2.985641      7.314166
  C      -8.499094      3.413814      6.550417
  O      -8.065559      4.055622      5.322346
  C      -8.894800      3.975188      4.236297
  C      -9.381009      5.147511      3.670442
  C     -10.161596      5.080830      2.505504
  N     -10.467970      3.951255      1.866933
  C      -9.959850      2.797004      2.380906
  C     -10.155049      1.579638      1.675858
  C      -9.570049      0.417315      2.153020
  C      -8.847470      0.463370      3.357909
  N      -8.664751      1.573542      4.079780
  C      -9.175649      2.736485      3.585353
  H      -3.019293     -1.574251      4.114382
  H      -4.058207     -0.382372      3.321774
  H      -1.050766     -0.095483      2.994369
  H      -1.879960     -1.358779      2.072996
  H      -1.638913      0.896204      0.857058
  H      -2.818244      1.556171      2.019589
  H      -5.250747     -1.273750     -0.492436
  H      -6.446714     -0.510789     -2.531861
  H      -5.297298      3.854124     -3.244558
  H      -3.769743      5.495176     -2.080586
  H      -2.423307      4.695657     -0.127437
  H      -2.926017      5.841328      5.006291
  H      -4.193263      5.518938      6.199426
  H      -5.287318      6.134110      4.194160
  H      -5.549906      4.393229      4.359719
  H      -3.395837      4.119479      2.878633
  H      -3.692579      5.807612      2.380996
  H      -5.351329      7.121261      1.954897
  H      -7.055050      8.333408      0.646514
  H      -9.496129      5.220808     -1.722556
  H      -9.459512      2.700748     -1.828055
  H      -7.857009      1.455517     -0.370571
  H      -7.099604      0.819124      7.257693
  H      -6.912779      1.617780      5.685566
  H      -6.518066      3.800360      7.243668
  H      -7.513088      2.875181      8.380196
  H      -9.085551      4.153953      7.120993
  H      -9.141004      2.552838      6.313195
  H      -9.154669      6.107966      4.135252
  H     -10.551016      6.005246      2.067884
  H     -10.737866      1.606292      0.754614
  H      -9.651676     -0.525001      1.607708
  H      -8.410989     -0.454259      3.768156
  N      -4.952862      1.953269      3.932118
  N      -5.619428      1.658012      2.840261
  H      -5.675606      2.376293      2.099892
  H      -6.507618      1.160164      2.982944
102
Coordinates from ORCA-job orca E -6484.881658958182
  N      -2.803868      0.394050      4.827387
  Mo     -3.921194      1.965516      5.408431
  N      -5.195383      1.604102      6.863170
  C      -4.713102      1.464743      8.232998
  C      -3.277346      0.961602      8.213824
  N      -2.502303      1.703445      7.187944
  C      -1.335320      0.932189      6.702143
  C      -1.802534     -0.142562      5.741954
  C      -2.116074      3.061264      7.636772
  C      -1.961025      3.947277      6.411346
  N      -3.143830      3.814824      5.550510
  H      -0.922836     -0.522442      5.188638
  H      -2.211096     -1.016782      6.292760
  H      -0.680731      1.634585      6.168165
  H      -0.767446      0.509413      7.550645
  H      -1.831729      4.990137      6.746632
  H      -1.039463      3.687099      5.856456
  H      -2.935939      3.452354      8.255037
  H      -1.200120      3.021848      8.255319
  H      -5.339115      0.743059      8.791654
  H      -4.785637      2.425094      8.781726
  H      -3.274879     -0.096178      7.917533
  H      -2.796441      1.045192      9.205163
  C      -3.030197     -0.522186      3.713679
  C      -2.005764     -0.357006      2.574554
  C      -2.439491      0.670624      1.546631
  O      -3.501011      0.027205      0.792372
  C      -4.143954      0.579969     -0.250458
  C      -5.060798     -0.252677     -0.889375
  C      -5.753807      0.195149     -2.021531
  N      -5.645776      1.410872     -2.545317
  C      -4.798166      2.263319     -1.905223
  C      -4.706881      3.597888     -2.373843
  C      -3.873148      4.489937     -1.738907
  C      -3.108786      4.036421     -0.641035
  N      -3.157343      2.804373     -0.164352
  C      -3.996386      1.914166     -0.761345
  C      -3.725104      5.128964      5.258357
  C      -4.774882      5.148730      4.159308
  C      -4.161044      4.870453      2.794644
  O      -5.125221      4.329707      1.876842
  C      -6.006847      5.137841      1.260785
  C      -6.030263      6.524872      1.305405
  C      -6.990490      7.209806      0.533439
  N      -7.885066      6.638815     -0.263387
  C      -7.874567      5.272694     -0.309185
  C      -8.785592      4.591400     -1.153446
  C      -8.778419      3.212286     -1.181166
  C      -7.884157      2.512667     -0.346267
  N      -7.006547      3.104403      0.455509
  C      -6.982256      4.464698      0.460025
  C      -6.646345      1.683748      6.746078
  C      -7.252300      2.982709      7.316803
  C      -8.489569      3.421292      6.553457
  O      -8.050802      4.057920      5.324459
  C      -8.879970      3.985080      4.238498
  C      -9.347511      5.162277      3.667707
  C     -10.129177      5.103060      2.502950
  N     -10.454557      3.976113      1.870127
  C      -9.965810      2.815883      2.388995
  C     -10.184334      1.598628      1.690896
  C      -9.620151      0.428518      2.173062
  C      -8.891817      0.467950      3.375131
  N      -8.686701      1.578846      4.089609
  C      -9.180488      2.747486      3.592138
  H      -2.993986     -1.562181      4.092256
  H      -4.038289     -0.370677      3.305494
  H      -1.034447     -0.048246      2.992801
  H      -1.841134     -1.317715      2.060316
  H      -1.628462      0.947292      0.859772
  H      -2.821346      1.584653      2.020152
  H      -5.224398     -1.257991     -0.499141
  H      -6.439832     -0.493812     -2.525636
  H      -5.325286      3.883099     -3.226355
  H      -3.798283      5.528070     -2.065055
  H      -2.431755      4.727632     -0.127847
  H      -2.909765      5.828209      4.982259
  H      -4.178837      5.541935      6.182082
  H      -5.271985      6.129950      4.171986
  H      -5.547761      4.393248      4.362461
  H      -3.405147      4.079090      2.875103
  H      -3.685078      5.765170      2.359647
  H      -5.326815      7.092352      1.912872
  H      -7.009564      8.304092      0.575266
  H      -9.477674      5.182517     -1.754841
  H      -9.469669      2.660897     -1.819613
  H      -7.887769      1.420396     -0.334316
  H      -7.107917      0.814690      7.256892
  H      -6.916980      1.615635      5.686276
  H      -6.505920      3.791909      7.246914
  H      -7.507662      2.873400      8.382738
  H      -9.068199      4.167997      7.123524
  H      -9.139984      2.566468      6.317621
  H      -9.106341      6.120608      4.129408
  H     -10.503913      6.031422      2.060974
  H     -10.768859      1.630855      0.770850
  H      -9.722414     -0.515460      1.634321
  H      -8.469228     -0.454649      3.788342
  N      -4.956906      1.947407      3.937955
  N      -5.635474      1.632177      2.859023
  H      -5.705225      2.341962      2.110886
  H      -6.520807      1.135572      3.021190
102
Coordinates from ORCA-job orca E -6484.882163213094
  N      -2.792997      0.405836      4.823377
  Mo     -3.921357      1.968875      5.412889
  N      -5.196351      1.584087      6.862487
  C      -4.714982      1.431460      8.231302
  C      -3.274413      0.941747      8.209525
  N      -2.506011      1.703270      7.193183
  C      -1.331262      0.950787      6.698684
  C      -1.785675     -0.123875      5.732539
  C      -2.134747      3.059185      7.658367
  C      -1.984915      3.963010      6.445866
  N      -3.158104      3.822263      5.573684
  H      -0.898373     -0.486062      5.178723
  H      -2.181687     -1.007818      6.277132
  H      -0.685711      1.664500      6.168953
  H      -0.756049      0.527444      7.542429
  H      -1.877249      5.003472      6.796453
  H      -1.053334      3.727231      5.896330
  H      -2.960319      3.433196      8.279656
  H      -1.219460      3.023576      8.278203
  H      -5.335861      0.697643      8.779863
  H      -4.796168      2.384503      8.791732
  H      -3.260024     -0.112849      7.902763
  H      -2.797125      1.020100      9.203015
  C      -3.016803     -0.511170      3.710702
  C      -1.992446     -0.340412      2.571076
  C      -2.430021      0.687032      1.544625
  O      -3.491441      0.044325      0.791280
  C      -4.136803      0.595093     -0.250015
  C      -5.057539     -0.237042     -0.884504
  C      -5.756418      0.211166     -2.012467
  N      -5.648903      1.425872     -2.540101
  C      -4.794740      2.276567     -1.907288
  C      -4.697781      3.609213     -2.381352
  C      -3.854653      4.497749     -1.754542
  C      -3.087356      4.044980     -0.658839
  N      -3.141074      2.815128     -0.176403
  C      -3.988349      1.927761     -0.765827
  C      -3.724260      5.134929      5.250648
  C      -4.772126      5.146856      4.149749
  C      -4.161700      4.852914      2.786840
  O      -5.131527      4.313776      1.875152
  C      -6.004392      5.123704      1.249820
  C      -6.013511      6.511089      1.278682
  C      -6.966327      7.195845      0.496958
  N      -7.866103      6.624027     -0.293448
  C      -7.870101      5.257549     -0.323455
  C      -8.787209      4.573975     -1.159605
  C      -8.791488      3.194915     -1.170940
  C      -7.902709      2.497057     -0.328114
  N      -7.020120      3.090461      0.466823
  C      -6.985827      4.450960      0.455543
  C      -6.646799      1.669876      6.748008
  C      -7.249303      2.969526      7.321912
  C      -8.482296      3.413793      6.554961
  O      -8.035360      4.043964      5.325657
  C      -8.865813      3.983511      4.240650
  C      -9.317304      5.166770      3.670577
  C     -10.102675      5.118526      2.507422
  N     -10.448302      3.996732      1.878216
  C      -9.977926      2.828944      2.396803
  C     -10.226072      1.614278      1.704822
  C      -9.685660      0.434351      2.188646
  C      -8.943990      0.462957      3.383626
  N      -8.708476      1.572930      4.090152
  C      -9.186661      2.748392      3.595085
  H      -2.976634     -1.551357      4.088783
  H      -4.024508     -0.362630      3.301109
  H      -1.022186     -0.027396      2.988177
  H      -1.823485     -1.299026      2.054306
  H      -1.618553      0.964640      0.858346
  H      -2.813049      1.602243      2.014926
  H      -5.220318     -1.242661     -0.494833
  H      -6.448961     -0.475513     -2.510738
  H      -5.319100      3.893244     -3.232186
  H      -3.775159      5.534661     -2.083613
  H      -2.402062      4.734011     -0.153909
  H      -2.901955      5.821587      4.963036
  H      -4.174611      5.571036      6.165728
  H      -5.262562      6.131426      4.153393
  H      -5.549072      4.397657      4.359548
  H      -3.413385      4.055028      2.870515
  H      -3.679476      5.741354      2.345542
  H      -5.304280      7.078084      1.879882
  H      -6.975625      8.290677      0.523978
  H      -9.474266      5.164066     -1.767801
  H      -9.486405      2.640595     -1.802775
  H      -7.912576      1.404894     -0.304845
  H      -7.109861      0.799931      7.255698
  H      -6.918993      1.608482      5.687947
  H      -6.499597      3.775779      7.254178
  H      -7.507282      2.860591      8.387126
  H      -9.057358      4.165877      7.121751
  H      -9.138014      2.563001      6.319188
  H      -9.061659      6.120964      4.132900
  H     -10.464609      6.051530      2.064551
  H     -10.816572      1.654674      0.788805
  H      -9.817201     -0.510356      1.657807
  H      -8.535633     -0.465946      3.796211
  N      -4.959129      1.943837      3.942565
  N      -5.643929      1.615907      2.871469
  H      -5.727303      2.322947      2.121499
  H      -6.526113      1.118410      3.046450
102
Coordinates from ORCA-job orca E -6484.882667186333
  N      -2.782753      0.416115      4.821606
  Mo     -3.920729      1.969381      5.418564
  N      -5.197530      1.562841      6.861192
  C      -4.720094      1.398732      8.229545
  C      -3.275473      0.921172      8.207483
  N      -2.510607      1.698836      7.200525
  C      -1.327410      0.962907      6.701801
  C      -1.769948     -0.109735      5.727468
  C      -2.155213      3.054066      7.679529
  C      -2.006952      3.973320      6.478607
  N      -3.168967      3.824982      5.592513
  H      -0.878811     -0.459156      5.171664
  H      -2.157147     -1.001645      6.265365
  H      -0.690634      1.688014      6.176832
  H      -0.747315      0.540402      7.542559
  H      -1.921617      5.010931      6.844016
  H      -1.065331      3.762035      5.935919
  H      -2.988420      3.413607      8.299120
  H      -1.243545      3.022281      8.304829
  H      -5.337297      0.654315      8.767994
  H      -4.810540      2.344874      8.800343
  H      -3.250745     -0.130533      7.891747
  H      -2.801731      0.994921      9.203015
  C      -3.000079     -0.497076      3.704346
  C      -1.976032     -0.314342      2.566040
  C      -2.419728      0.713040      1.542236
  O      -3.478433      0.067283      0.787625
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  C      -5.050987     -0.214757     -0.880874
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  N      -5.658407      1.449901     -2.528459
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  C      -4.712660      3.635291     -2.372054
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  C      -3.087879      4.071061     -0.663253
  N      -3.135468      2.840577     -0.181736
  C      -3.986336      1.952485     -0.765084
  C      -3.715040      5.138516      5.239177
  C      -4.763026      5.142669      4.138961
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  O      -5.135134      4.283477      1.877981
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  C      -6.933434      7.165078      0.451553
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  C      -8.800791      3.160748     -1.161152
  C      -7.920411      2.465135     -0.308223
  N      -7.032673      3.060008      0.480278
  C      -6.983719      4.420031      0.450624
  C      -6.647124      1.656798      6.743571
  C      -7.242100      2.958844      7.319380
  C      -8.469566      3.413834      6.550526
  O      -8.015098      4.036812      5.320160
  C      -8.848841      3.987035      4.237085
  C      -9.282204      5.176572      3.665813
  C     -10.073925      5.139414      2.506564
  N     -10.444953      4.021982      1.883858
  C      -9.993170      2.847416      2.404082
  C     -10.271312      1.635034      1.719729
  C      -9.749222      0.446706      2.203375
  C      -8.993497      0.466209      3.389407
  N      -8.729612      1.573977      4.089075
  C      -9.193438      2.756356      3.595990
  H      -2.953398     -1.538928      4.077099
  H      -4.008768     -0.353481      3.295092
  H      -1.008645      0.005012      2.985029
  H      -1.799072     -1.269914      2.046302
  H      -1.610007      0.997060      0.856667
  H      -2.806952      1.624755      2.016161
  H      -5.208302     -1.221660     -0.492295
  H      -6.452545     -0.453565     -2.498475
  H      -5.342170      3.919435     -3.216784
  H      -3.792211      5.562365     -2.078564
  H      -2.399085      4.760456     -0.163531
  H      -2.882565      5.807533      4.938336
  H      -4.158336      5.599303      6.145264
  H      -5.245970      6.131047      4.128292
  H      -5.545516      4.402499      4.360280
  H      -3.415283      4.022800      2.871198
  H      -3.668285      5.704028      2.325661
  H      -5.276756      7.049542      1.840689
  H      -6.930410      8.260278      0.462110
  H      -9.461085      5.128692     -1.786598
  H      -9.501397      2.605094     -1.785617
  H      -7.942041      1.373586     -0.270382
  H      -7.116726      0.788216      7.247525
  H      -6.917193      1.600087      5.682739
  H      -6.486138      3.759738      7.255714
  H      -7.503878      2.849089      8.383612
  H      -9.037595      4.172785      7.115206
  H      -9.133347      2.569147      6.315585
  H      -9.007979      6.127177      4.124976
  H     -10.420402      6.077686      2.062272
  H     -10.869813      1.683246      0.809348
  H      -9.905077     -0.497494      1.678236
  H      -8.596448     -0.468474      3.800038
  N      -4.961126      1.941028      3.950510
  N      -5.654279      1.596356      2.889239
  H      -5.750965      2.296421      2.134012
  H      -6.531946      1.096860      3.080491
102
Coordinates from ORCA-job orca E -6484.883174834402
  N      -2.772041      0.429867      4.818711
  Mo     -3.920445      1.972123      5.425276
  N      -5.197060      1.540956      6.861548
  C      -4.721997      1.366309      8.228817
  C      -3.272786      0.903300      8.205326
  N      -2.513225      1.697597      7.207049
  C      -1.321172      0.979704      6.703387
  C      -1.751834     -0.090825      5.720520
  C      -2.174368      3.052011      7.700908
  C      -2.030935      3.987499      6.512384
  N      -3.181404      3.830807      5.613253
  H      -0.857657     -0.427085      5.161563
  H      -2.128027     -0.991296      6.252020
  H      -0.695293      1.717625      6.182849
  H      -0.734484      0.559001      7.540242
  H      -1.970028      5.021773      6.892753
  H      -1.080057      3.802653      5.975990
  H      -3.013880      3.396259      8.320627
  H      -1.265303      3.023553      8.329991
  H      -5.333559      0.610090      8.757325
  H      -4.823519      2.305060      8.810119
  H      -3.236668     -0.145402      7.880919
  H      -2.801169      0.973395      9.202100
  C      -2.985603     -0.482298      3.699060
  C      -1.963055     -0.293716      2.560630
  C      -2.409736      0.732888      1.538145
  O      -3.469576      0.085797      0.785328
  C      -4.124810      0.639200     -0.248926
  C      -5.050699     -0.193690     -0.873816
  C      -5.764703      0.255628     -1.992064
  N      -5.666503      1.471009     -2.517372
  C      -4.804294      2.321905     -1.895342
  C      -4.716508      3.654686     -2.369191
  C      -3.863509      4.542896     -1.755900
  C      -3.076444      4.087893     -0.674701
  N      -3.123151      2.858380     -0.191026
  C      -3.981424      1.971827     -0.765964
  C      -3.705861      5.144921      5.229360
  C      -4.754475      5.143090      4.130509
  C      -4.151967      4.806419      2.774337
  O      -5.136493      4.260795      1.881096
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  C      -7.846058      5.199006     -0.355507
  C      -8.776523      4.512799     -1.174282
  C      -8.810782      3.134224     -1.147962
  C      -7.938032      2.440717     -0.286102
  N      -7.044426      3.036942      0.495631
  C      -6.981413      4.395926      0.448732
  C      -6.646320      1.639642      6.741728
  C      -7.236760      2.943862      7.317136
  C      -8.458640      3.406914      6.544539
  O      -7.996073      4.019997      5.312241
  C      -8.834088      3.982392      4.231180
  C      -9.247831      5.179120      3.659664
  C     -10.046636      5.155364      2.505026
  N     -10.445331      4.043705      1.888399
  C     -10.013000      2.861666      2.409526
  C     -10.323252      1.653123      1.732441
  C      -9.819520      0.455494      2.214483
  C      -9.048741      0.464403      3.389992
  N      -8.755261      1.568142      4.083942
  C      -9.204145      2.758314      3.594299
  H      -2.933506     -1.524735      4.069289
  H      -3.995946     -0.343515      3.291545
  H      -0.996970      0.028770      2.980366
  H      -1.782662     -1.248060      2.039674
  H      -1.602104      1.019447      0.851416
  H      -2.797379      1.642875      2.015098
  H      -5.206503     -1.200461     -0.484167
  H      -6.462521     -0.430827     -2.483374
  H      -5.352671      3.939607     -3.208639
  H      -3.789484      5.580184     -2.084906
  H      -2.381596      4.775724     -0.181123
  H      -2.862385      5.794246      4.914531
  H      -4.139769      5.631454      6.126062
  H      -5.230678      6.134614      4.105879
  H      -5.541455      4.411040      4.362919
  H      -3.414694      4.000244      2.873033
  H      -3.657267      5.675802      2.310518
  H      -5.250906      7.027700      1.805446
  H      -6.888540      8.235593      0.406788
  H      -9.449605      5.100513     -1.800132
  H      -9.517304      2.577535     -1.764944
  H      -7.972458      1.350047     -0.234010
  H      -7.120882      0.772954      7.244324
  H      -6.914510      1.584108      5.680532
  H      -6.475910      3.740651      7.257258
  H      -7.503523      2.833843      8.380139
  H      -9.021236      4.173077      7.104822
  H      -9.129060      2.566878      6.311697
  H      -8.954023      6.125355      4.115781
  H     -10.375856      6.099829      2.060435
  H     -10.930600      1.710599      0.828541
  H     -10.000505     -0.487011      1.694150
  H      -8.662264     -0.476444      3.796912
  N      -4.965013      1.940614      3.960637
  N      -5.666214      1.583105      2.907843
  H      -5.773862      2.276209      2.147332
  H      -6.539482      1.082229      3.113064
102
Coordinates from ORCA-job orca E -6484.883667745084
  N      -2.763636      0.442864      4.815351
  Mo     -3.921768      1.974354      5.432173
  N      -5.197708      1.521057      6.863249
  C      -4.724038      1.336513      8.229265
  C      -3.271171      0.885879      8.203547
  N      -2.517487      1.695658      7.213217
  C      -1.318128      0.993922      6.704364
  C      -1.738070     -0.073747      5.713457
  C      -2.192342      3.048370      7.720894
  C      -2.053096      3.998379      6.543601
  N      -3.193163      3.835188      5.632718
  H      -0.840486     -0.397343      5.152388
  H      -2.104710     -0.982080      6.238350
  H      -0.700816      1.742647      6.188862
  H      -0.726295      0.573465      7.537647
  H      -2.013062      5.029057      6.937023
  H      -1.094497      3.835832      6.013454
  H      -3.036646      3.378893      8.341536
  H      -1.285072      3.021947      8.352501
  H      -5.330220      0.569801      8.748907
  H      -4.834745      2.268301      8.820307
  H      -3.225413     -0.159660      7.870361
  H      -2.800875      0.951590      9.201215
  C      -2.973002     -0.466448      3.692625
  C      -1.951179     -0.270089      2.555048
  C      -2.401549      0.758116      1.535928
  O      -3.460647      0.109934      0.782707
  C      -4.120148      0.664766     -0.248266
  C      -5.049581     -0.167045     -0.868976
  C      -5.768212      0.283318     -1.983933
  N      -5.670586      1.498339     -2.509635
  C      -4.803940      2.347982     -1.892152
  C      -4.714582      3.679723     -2.368460
  C      -3.855015      4.565864     -1.761668
  C      -3.063247      4.109568     -0.684258
  N      -3.111628      2.881087     -0.198135
  C      -3.976251      1.996676     -0.766684
  C      -3.695145      5.148723      5.218172
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  C      -4.148302      4.783885      2.767679
  O      -5.139126      4.235834      1.882374
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  C      -5.947743      6.432076      1.184809
  C      -6.873217      7.111584      0.367392
  N      -7.787762      6.534990     -0.402087
  C      -7.836373      5.169136     -0.371080
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  C      -8.822860      3.103242     -1.133054
  C      -7.957927      2.413438     -0.260690
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  C      -6.646566      1.625092      6.743585
  C      -7.231889      2.932304      7.317539
  C      -8.447943      3.401788      6.540055
  O      -7.976262      4.002572      5.305276
  C      -8.818230      3.976743      4.226660
  C      -9.212039      5.179678      3.653935
  C     -10.017747      5.168174      2.504028
  N     -10.442906      4.062692      1.894097
  C     -10.030235      2.873929      2.416469
  C     -10.371535      1.669952      1.746790
  C      -9.888168      0.463604      2.228894
  C      -9.104387      0.461424      3.395352
  N      -8.781403      1.560979      4.082618
  C      -9.213727      2.758454      3.594843
  H      -2.916445     -1.509883      4.059502
  H      -3.983989     -0.330774      3.285682
  H      -0.986568      0.054789      2.976332
  H      -1.766649     -1.221885      2.030874
  H      -1.595804      1.049471      0.849193
  H      -2.791490      1.665535      2.016128
  H      -5.204732     -1.173765     -0.479088
  H      -6.469319     -0.401815     -2.472339
  H      -5.354598      3.965404     -3.204696
  H      -3.778878      5.602427     -2.092383
  H      -2.362560      4.795227     -0.195959
  H      -2.841037      5.777027      4.888630
  H      -4.118156      5.661737      6.105138
  H      -5.214777      6.134943      4.083504
  H      -5.536591      4.416753      4.364953
  H      -3.416642      3.973426      2.872513
  H      -3.647599      5.644149      2.293599
  H      -5.224389      7.002585      1.765370
  H      -6.846177      8.206427      0.345325
  H      -9.439911      5.066309     -1.815431
  H      -9.535086      2.544521     -1.741568
  H      -8.004490      1.324073     -0.192417
  H      -7.124996      0.760749      7.246412
  H      -6.914800      1.570029      5.682405
  H      -6.466223      3.724663      7.259917
  H      -7.503305      2.823956      8.379468
  H      -9.005228      4.176114      7.094409
  H      -9.125007      2.566143      6.310409
  H      -8.898739      6.121431      4.106244
  H     -10.330438      6.117704      2.058339
  H     -10.986214      1.736620      0.848496
  H     -10.094325     -0.476655      1.714110
  H      -8.730096     -0.485278      3.799998
  N      -4.971085      1.939259      3.970827
  N      -5.680717      1.569047      2.927844
  H      -5.798025      2.254155      2.160823
  H      -6.550203      1.068197      3.147464
102
Coordinates from ORCA-job orca E -6484.884176540960
  N      -2.757873      0.455057      4.811513
  Mo     -3.924754      1.975793      5.439781
  N      -5.197936      1.504118      6.868647
  C      -4.723537      1.314221      8.233286
  C      -3.267778      0.874040      8.204266
  N      -2.520939      1.695456      7.218358
  C      -1.316071      1.006648      6.704316
  C      -1.727918     -0.058009      5.706662
  C      -2.205432      3.046809      7.736496
  C      -2.071458      4.007285      6.567353
  N      -3.203234      3.838724      5.647925
  H      -0.827993     -0.371724      5.143647
  H      -2.086612     -0.972673      6.226252
  H      -0.705854      1.764159      6.192987
  H      -0.719628      0.586182      7.534197
  H      -2.047894      5.035434      6.969627
  H      -1.107560      3.861008      6.041875
  H      -3.051334      3.367060      8.360280
  H      -1.298019      3.021168      8.367729
  H      -5.323828      0.539133      8.747476
  H      -4.842002      2.240809      8.831263
  H      -3.214572     -0.169143      7.864840
  H      -2.796489      0.937347      9.201587
  C      -2.964948     -0.451489      3.686336
  C      -1.943247     -0.250546      2.549799
  C      -2.393184      0.782419      1.535225
  O      -3.454404      0.137908      0.781156
  C      -4.116218      0.698006     -0.245749
  C      -5.051940     -0.128325     -0.863776
  C      -5.770716      0.326340     -1.977147
  N      -5.666711      1.540482     -2.503165
  C      -4.793662      2.385135     -1.887961
  C      -4.694764      3.715102     -2.367411
  C      -3.825743      4.595164     -1.765689
  C      -3.035101      4.134407     -0.688999
  N      -3.092607      2.907493     -0.199931
  C      -3.965650      2.028979     -0.764390
  C      -3.680260      5.151167      5.201591
  C      -4.734966      5.138141      4.108439
  C      -4.144462      4.760754      2.757814
  O      -5.141034      4.209335      1.880687
  C      -5.977801      5.016461      1.204944
  C      -5.927994      6.403053      1.151026
  C      -6.846124      7.079570      0.322977
  N      -7.767195      6.501050     -0.437224
  C      -7.830662      5.136268     -0.384205
  C      -8.776888      4.445909     -1.180830
  C      -8.840842      3.069578     -1.111832
  C      -7.981605      2.384334     -0.230455
  N      -7.074921      2.985366      0.532557
  C      -6.983326      4.340368      0.444917
  C      -6.646802      1.610924      6.751057
  C      -7.228661      2.922953      7.318041
  C      -8.438566      3.394572      6.532537
  O      -7.956841      3.977791      5.293448
  C      -8.804726      3.963685      4.218746
  C      -9.177911      5.172501      3.644238
  C      -9.993484      5.173218      2.501493
  N     -10.447593      4.074501      1.900374
  C     -10.054330      2.879316      2.423938
  C     -10.427919      1.680789      1.762566
  C      -9.964727      0.465890      2.244507
  C      -9.167079      0.452314      3.400876
  N      -8.813246      1.546884      4.080817
  C      -9.228380      2.751677      3.594507
  H      -2.906772     -1.495844      4.050646
  H      -3.976206     -0.316273      3.280011
  H      -0.978678      0.071803      2.973162
  H      -1.758640     -1.200052      2.021538
  H      -1.588839      1.076376      0.848233
  H      -2.782136      1.688107      2.019606
  H      -5.211525     -1.134388     -0.474129
  H      -6.476157     -0.354730     -2.464899
  H      -5.334614      4.004349     -3.202546
  H      -3.740867      5.630194     -2.099004
  H      -2.326937      4.814608     -0.203883
  H      -2.814638      5.754285      4.854507
  H      -4.088067      5.693232      6.078189
  H      -5.196429      6.135558      4.057881
  H      -5.529760      4.423437      4.365670
  H      -3.418150      3.946394      2.869063
  H      -3.637931      5.611241      2.272561
  H      -5.198392      6.975046      1.722240
  H      -6.806730      8.173562      0.283562
  H      -9.437711      5.028378     -1.824291
  H      -9.560903      2.508746     -1.709039
  H      -8.041099      1.296775     -0.144361
  H      -7.127016      0.750729      7.259063
  H      -6.916544      1.550389      5.690623
  H      -6.458977      3.711312      7.260114
  H      -7.505556      2.820071      8.379001
  H      -8.991914      4.178678      7.077067
  H      -9.121182      2.561677      6.308824
  H      -8.842961      6.109632      4.090422
  H     -10.289732      6.127525      2.054816
  H     -11.050783      1.756926      0.870660
  H     -10.196242     -0.471312      1.735248
  H      -8.804692     -0.500063      3.802954
  N      -4.980807      1.934645      3.983163
  N      -5.699203      1.555541      2.949502
  H      -5.823573      2.231917      2.175048
  H      -6.565702      1.055883      3.181969
102
Coordinates from ORCA-job orca E -6484.884699473908
  N      -2.754333      0.466347      4.806988
  Mo     -3.929005      1.976672      5.446584
  N      -5.198534      1.490111      6.875392
  C      -4.722213      1.297601      8.238658
  C      -3.264391      0.865718      8.205681
  N      -2.524789      1.696170      7.222104
  C      -1.315725      1.017628      6.703011
  C      -1.721300     -0.043819      5.699854
  C      -2.215751      3.046372      7.748071
  C      -2.086779      4.014152      6.584446
  N      -3.211937      3.841523      5.658582
  H      -0.819619     -0.349797      5.135316
  H      -2.074016     -0.963385      6.215152
  H      -0.710711      1.781934      6.195437
  H      -0.715754      0.596615      7.529993
  H      -2.075447      5.040697      6.992311
  H      -1.119121      3.878705      6.062713
  H      -3.061192      3.358841      8.376331
  H      -1.306991      3.020645      8.377143
  H      -5.316740      0.515931      8.749752
  H      -4.846728      2.220264      8.841743
  H      -3.205630     -0.175590      7.861333
  H      -2.790835      0.927429      9.201998
  C      -2.960663     -0.436563      3.679532
  C      -1.938351     -0.233737      2.544501
  C      -2.384259      0.807754      1.536462
  O      -3.450455      0.172244      0.781239
  C      -4.112337      0.741411     -0.240937
  C      -5.057154     -0.074607     -0.858227
  C      -5.771095      0.387819     -1.971822
  N      -5.653647      1.600727     -2.497856
  C      -4.772295      2.436211     -1.882249
  C      -4.655258      3.763656     -2.365252
  C      -3.773058      4.632890     -1.767277
  C      -2.989290      4.164029     -0.688700
  N      -3.064193      2.939288     -0.196232
  C      -3.948488      2.071169     -0.758690
  C      -3.662456      5.151670      5.179394
  C      -4.723353      5.133754      4.091515
  C      -4.141859      4.732581      2.743837
  O      -5.144430      4.176882      1.876155
  C      -5.975154      4.981737      1.190354
  C      -5.910305      6.366455      1.112469
  C      -6.822540      7.039108      0.274737
  N      -7.752318      6.458367     -0.473156
  C      -7.831227      5.095274     -0.395881
  C      -8.789272      4.402505     -1.175856
  C      -8.868560      3.028132     -1.082483
  C      -8.012388      2.348541     -0.193718
  N      -7.096025      2.952651      0.554871
  C      -6.989722      4.304497      0.444025
  C      -6.647642      1.598392      6.761750
  C      -7.226635      2.916266      7.318945
  C      -8.430398      3.387677      6.524189
  O      -7.938298      3.950038      5.279817
  C      -8.793309      3.947557      4.210260
  C      -9.146153      5.161621      3.633682
  C      -9.973329      5.174105      2.499749
  N     -10.456957      4.082673      1.908807
  C     -10.082228      2.881567      2.433189
  C     -10.487693      1.689184      1.780550
  C     -10.044416      0.466276      2.262440
  C      -9.232931      0.441170      3.408549
  N      -8.848071      1.530193      4.080470
  C      -9.245940      2.741947      3.595125
  H      -2.904124     -1.482012      4.041508
  H      -3.971407     -0.298370      3.273348
  H      -0.972277      0.081162      2.970135
  H      -1.757611     -1.180923      2.010844
  H      -1.580803      1.102098      0.848859
  H      -2.768641      1.712572      2.026186
  H      -5.226278     -1.079462     -0.469605
  H      -6.481239     -0.286727     -2.461676
  H      -5.290821      4.059609     -3.201321
  H      -3.672523      5.665417     -2.104077
  H      -2.271163      4.834920     -0.205312
  H      -2.785225      5.726503      4.813331
  H      -4.052562      5.724203      6.044500
  H      -5.176248      6.134186      4.027234
  H      -5.521912      4.429375      4.364396
  H      -3.421521      3.913947      2.862963
  H      -3.629307      5.571663      2.245255
  H      -5.172976      6.940235      1.671900
  H      -6.770136      8.131681      0.216472
  H      -9.446666      4.981284     -1.826057
  H      -9.599349      2.465456     -1.664584
  H      -8.085140      1.263398     -0.087524
  H      -7.127912      0.743314      7.277977
  H      -6.920355      1.528994      5.702644
  H      -6.453373      3.700728      7.259017
  H      -7.508888      2.820887      8.379057
  H      -8.979878      4.182698      7.056822
  H      -9.118432      2.556975      6.308246
  H      -8.788482      6.093883      4.072116
  H     -10.253903      6.132578      2.052006
  H     -11.118933      1.774819      0.895349
  H     -10.300948     -0.467311      1.758975
  H      -8.882660     -0.516584      3.808415
  N      -4.992768      1.926916      3.995680
  N      -5.720525      1.540226      2.972237
  H      -5.850533      2.207022      2.189469
  H      -6.584800      1.043468      3.217752
102
Coordinates from ORCA-job orca E -6484.885213490078
  N      -2.754577      0.474926      4.801384
  Mo     -3.936257      1.975290      5.451066
  N      -5.200719      1.479032      6.883068
  C      -4.720055      1.286634      8.244761
  C      -3.260835      0.860355      8.206286
  N      -2.529323      1.697287      7.222457
  C      -1.317636      1.026391      6.698065
  C      -1.719171     -0.032378      5.691929
  C      -2.223742      3.046874      7.752531
  C      -2.099777      4.017916      6.591386
  N      -3.221083      3.842316      5.662277
  H      -0.816548     -0.332633      5.125853
  H      -2.067842     -0.955088      6.204578
  H      -0.716047      1.795177      6.193192
  H      -0.714983      0.604627      7.522704
  H      -2.095302      5.044127      7.000942
  H      -1.130160      3.887166      6.071779
  H      -3.066871      3.353986      8.386426
  H      -1.312363      3.021085      8.377618
  H      -5.309074      0.500699      8.755815
  H      -4.847640      2.206957      8.850949
  H      -3.198883     -0.179603      7.858268
  H      -2.783331      0.921204      9.200734
  C      -2.960994     -0.424130      3.672257
  C      -1.937821     -0.219758      2.538881
  C      -2.377189      0.833424      1.539249
  O      -3.449654      0.212089      0.781460
  C      -4.108477      0.794915     -0.235720
  C      -5.063916     -0.005983     -0.856361
  C      -5.767945      0.468597     -1.971124
  N      -5.631633      1.681322     -2.494415
  C      -4.741094      2.503186     -1.873991
  C      -4.598882      3.828416     -2.357884
  C      -3.701142      4.682056     -1.759791
  C      -2.929991      4.200675     -0.677729
  N      -3.029148      2.977601     -0.183908
  C      -3.925958      2.124171     -0.748893
  C      -3.645539      5.149104      5.151898
  C      -4.714044      5.126341      4.070706
  C      -4.141993      4.699717      2.726913
  O      -5.148839      4.138141      1.869021
  C      -5.973208      4.939466      1.171819
  C      -5.893542      6.321334      1.068623
  C      -6.800387      6.989083      0.220999
  N      -7.739395      6.405633     -0.513215
  C      -7.833647      5.044963     -0.410214
  C      -8.804989      4.349567     -1.170798
  C      -8.899887      2.978012     -1.050991
  C      -8.044877      2.304997     -0.155594
  N      -7.118161      2.912471      0.576559
  C      -6.997033      4.260439      0.440552
  C      -6.650272      1.589632      6.775972
  C      -7.225368      2.914372      7.322077
  C      -8.423425      3.383932      6.517764
  O      -7.920957      3.922818      5.267262
  C      -8.783224      3.931132      4.203375
  C      -9.116044      5.148528      3.621933
  C      -9.955363      5.169910      2.497299
  N     -10.468322      4.085177      1.919781
  C     -10.111606      2.879796      2.447170
  C     -10.547963      1.692717      1.806048
  C     -10.124742      0.463707      2.290791
  C      -9.299912      0.429206      3.427219
  N      -8.884373      1.513643      4.087933
  C      -9.264871      2.730698      3.600396
  H      -2.907342     -1.470766      4.032003
  H      -3.970755     -0.281358      3.266034
  H      -0.969262      0.084556      2.966722
  H      -1.763279     -1.164127      1.998429
  H      -1.573676      1.126860      0.851522
  H      -2.754632      1.737820      2.035107
  H      -5.246754     -1.009796     -0.471280
  H      -6.482304     -0.197117     -2.466711
  H      -5.225933      4.135030     -3.196555
  H      -3.579380      5.711571     -2.099092
  H      -2.200570      4.858465     -0.193250
  H      -2.757827      5.694839      4.766969
  H      -4.017098      5.750713      6.005306
  H      -5.158604      6.129409      3.993242
  H      -5.516108      4.432632      4.360058
  H      -3.427646      3.877417      2.856574
  H      -3.623923      5.526499      2.213579
  H      -5.148121      6.897210      1.615144
  H      -6.734875      8.079611      0.142774
  H      -9.460267      4.923987     -1.826919
  H      -9.643710      2.414413     -1.615268
  H      -8.130594      1.223021     -0.027436
  H      -7.129101      0.740311      7.302522
  H      -6.928047      1.509888      5.718845
  H      -6.448429      3.694517      7.258504
  H      -7.511912      2.828298      8.381679
  H      -8.968626      4.190657      7.037222
  H      -9.117123      2.555354      6.311179
  H      -8.734999      6.076409      4.049449
  H     -10.221152      6.130886      2.045959
  H     -11.187129      1.786031      0.927225
  H     -10.405592     -0.466866      1.795340
  H      -8.962583     -0.532774      3.827747
  N      -5.009060      1.913874      4.007855
  N      -5.747043      1.522010      2.995429
  H      -5.879441      2.178421      2.203250
  H      -6.611071      1.031332      3.252850
102
Coordinates from ORCA-job orca E -6484.885717309809
  N      -2.750900      0.486997      4.797168
  Mo     -3.940612      1.976588      5.455935
  N      -5.202395      1.463255      6.885682
  C      -4.721153      1.264836      8.245910
  C      -3.259601      0.847806      8.204441
  N      -2.534312      1.695952      7.225636
  C      -1.317737      1.037217      6.696898
  C      -1.712012     -0.018330      5.684780
  C      -2.238356      3.044098      7.764465
  C      -2.118682      4.025253      6.611205
  N      -3.233014      3.845126      5.674505
  H      -0.807561     -0.309811      5.117141
  H      -2.055099     -0.946049      6.192136
  H      -0.722046      1.813467      6.196499
  H      -0.711848      0.615026      7.518917
  H      -2.128857      5.048021      7.029538
  H      -1.144540      3.910647      6.095917
  H      -3.084042      3.340693      8.399904
  H      -1.327441      3.020380      8.390239
  H      -5.305368      0.471849      8.751629
  H      -4.854414      2.180097      8.858603
  H      -3.191086     -0.189477      7.849874
  H      -2.781871      0.905556      9.198911
  C      -2.954399     -0.409267      3.665227
  C      -1.931006     -0.200228      2.532834
  C      -2.368917      0.857452      1.537328
  O      -3.442367      0.241412      0.777032
  C      -4.101784      0.830657     -0.236788
  C      -5.063377      0.035821     -0.855776
  C      -5.769888      0.516617     -1.965975
  N      -5.630821      1.730572     -2.485999
  C      -4.733111      2.546199     -1.867813
  C      -4.585722      3.871648     -2.349755
  C      -3.678867      4.718639     -1.755447
  C      -2.904540      4.230521     -0.678997
  N      -3.009009      3.007184     -0.186152
  C      -3.914129      2.160046     -0.747692
  C      -3.632687      5.148517      5.136294
  C      -4.704835      5.120822      4.058642
  C      -4.139528      4.673707      2.718816
  O      -5.152011      4.107804      1.870568
  C      -5.969292      4.904119      1.159190
  C      -5.877782      6.283339      1.032619
  C      -6.777363      6.944131      0.172134
  N      -7.720541      6.356282     -0.553192
  C      -7.827301      4.998499     -0.426595
  C      -8.805235      4.299268     -1.175104
  C      -8.913061      2.930841     -1.031950
  C      -8.063441      2.265129     -0.126162
  N      -7.131588      2.876559      0.596293
  C      -6.998164      4.221292      0.438120
  C      -6.651856      1.577113      6.781295
  C      -7.222265      2.905510      7.323757
  C      -8.414204      3.380029      6.513741
  O      -7.903295      3.905532      5.260891
  C      -8.768285      3.926395      4.199422
  C      -9.081988      5.147897      3.616260
  C      -9.927417      5.181147      2.496383
  N     -10.465054      4.104523      1.926551
  C     -10.127169      2.894297      2.455502
  C     -10.591770      1.713748      1.822677
  C     -10.189144      0.478493      2.308982
  C      -9.353168      0.432274      3.436821
  N      -8.909876      1.510574      4.088987
  C      -9.273917      2.733161      3.602168
  H      -2.898869     -1.456789      4.022242
  H      -3.964160     -0.267428      3.258653
  H      -0.962248      0.101597      2.962030
  H      -1.756764     -1.142348      1.988449
  H      -1.564909      1.152658      0.851069
  H      -2.744928      1.760458      2.036791
  H      -5.249230     -0.968130     -0.472400
  H      -6.489058     -0.144819     -2.460208
  H      -5.215640      4.183960     -3.184126
  H      -3.552342      5.747746     -2.094197
  H      -2.167908      4.882678     -0.197813
  H      -2.735612      5.669865      4.738860
  H      -3.990707      5.773947      5.978059
  H      -5.142919      6.125852      3.969624
  H      -5.510284      4.435861      4.359746
  H      -3.430133      3.848757      2.857248
  H      -3.616912      5.490202      2.193978
  H      -5.128038      6.862290      1.569853
  H      -6.701637      8.032457      0.074768
  H      -9.455396      4.868482     -1.840747
  H      -9.663511      2.365427     -1.585620
  H      -8.159011      1.186268      0.020109
  H      -7.131541      0.730717      7.311578
  H      -6.931877      1.494306      5.724984
  H      -6.440836      3.681375      7.262257
  H      -7.513643      2.822034      8.382207
  H      -8.953753      4.194922      7.026268
  H      -9.114299      2.555983      6.310799
  H      -8.682121      6.069950      4.039114
  H     -10.177992      6.145394      2.043229
  H     -11.236688      1.816359      0.949121
  H     -10.493327     -0.448202      1.820180
  H      -9.028948     -0.534508      3.836499
  N      -5.020236      1.909850      4.018757
  N      -5.767676      1.506240      3.018561
  H      -5.906326      2.152656      2.218678
  H      -6.629409      1.019162      3.289728
102
Coordinates from ORCA-job orca E -6484.886129859139
  N      -2.764353      0.491498      4.791472
  Mo     -3.958010      1.971151      5.453780
  N      -5.213013      1.463401      6.895076
  C      -4.721532      1.268774      8.252818
  C      -3.260988      0.845996      8.202055
  N      -2.542546      1.694308      7.219145
  C      -1.328292      1.034348      6.685088
  C      -1.725827     -0.018334      5.674716
  C      -2.243980      3.043985      7.749885
  C      -2.126462      4.019776      6.592090
  N      -3.247352      3.841864      5.660477
  H      -0.822868     -0.309355      5.105313
  H      -2.075818     -0.943775      6.180850
  H      -0.726885      1.807166      6.187481
  H      -0.726155      0.607206      7.507808
  H      -2.125089      5.044738      7.003471
  H      -1.154548      3.895641      6.073926
  H      -3.086234      3.339168      8.390395
  H      -1.328874      3.024067      8.370152
  H      -5.305018      0.480513      8.766401
  H      -4.843791      2.186711      8.863088
  H      -3.197515     -0.190673      7.844963
  H      -2.778433      0.901423      9.194267
  C      -2.970826     -0.399623      3.657088
  C      -1.946347     -0.197131      2.524084
  C      -2.365455      0.876041      1.536069
  O      -3.444731      0.290567      0.765462
  C      -4.085052      0.902571     -0.249612
  C      -5.055778      0.130225     -0.885600
  C      -5.746353      0.633239     -1.993301
  N      -5.589478      1.854497     -2.496960
  C      -4.682670      2.647524     -1.863550
  C      -4.512538      3.978000     -2.326700
  C      -3.592195      4.803746     -1.718194
  C      -2.830115      4.292026     -0.647099
  N      -2.957283      3.063415     -0.167928
  C      -3.873029      2.235524     -0.744174
  C      -3.625128      5.141190      5.097836
  C      -4.703207      5.103886      4.026071
  C      -4.143812      4.628760      2.693397
  O      -5.157109      4.049954      1.861460
  C      -5.968747      4.835129      1.129952
  C      -5.868139      6.209825      0.973676
  C      -6.766097      6.858061      0.102320
  N      -7.717564      6.260559     -0.604544
  C      -7.835346      4.907466     -0.447278
  C      -8.827560      4.200165     -1.169220
  C      -8.948563      2.836837     -0.993657
  C      -8.094007      2.182859     -0.082539
  N      -7.151895      2.801696      0.619441
  C      -7.006302      4.142654      0.429497
  C      -6.664272      1.576927      6.805049
  C      -7.230379      2.909904      7.343699
  C      -8.418958      3.388633      6.531071
  O      -7.901021      3.902023      5.275235
  C      -8.763172      3.936033      4.213744
  C      -9.061199      5.156081      3.622093
  C      -9.905448      5.189378      2.499874
  N     -10.456586      4.115973      1.939371
  C     -10.134950      2.905701      2.475567
  C     -10.611740      1.724261      1.852837
  C     -10.230264      0.490450      2.352820
  C      -9.394424      0.442370      3.483936
  N      -8.935221      1.521956      4.120492
  C      -9.283812      2.743007      3.622972
  H      -2.922779     -1.448099      4.012844
  H      -3.977549     -0.248498      3.247368
  H      -0.969849      0.084607      2.949680
  H      -1.790080     -1.138375      1.973158
  H      -1.550747      1.158698      0.856457
  H      -2.725146      1.784015      2.037656
  H      -5.258618     -0.875342     -0.513762
  H      -6.467088     -0.017606     -2.498876
  H      -5.133539      4.311791     -3.159390
  H      -3.449335      5.833504     -2.049039
  H      -2.084846      4.928323     -0.157883
  H      -2.721043      5.640702      4.689998
  H      -3.975918      5.785874      5.927906
  H      -5.138769      6.109614      3.930244
  H      -5.511535      4.425913      4.339865
  H      -3.437825      3.805876      2.856669
  H      -3.620271      5.431816      2.149136
  H      -5.111481      6.795242      1.494050
  H      -6.681740      7.943079     -0.019982
  H      -9.479910      4.760967     -1.839944
  H      -9.715725      2.273409     -1.526358
  H      -8.193815      1.108030      0.088227
  H      -7.132399      0.732186      7.347617
  H      -6.955909      1.484959      5.752055
  H      -6.445322      3.682115      7.284042
  H      -7.522987      2.827864      8.402002
  H      -8.950032      4.212198      7.038495
  H      -9.126766      2.570625      6.332493
  H      -8.645830      6.074964      4.036653
  H     -10.144593      6.151515      2.035557
  H     -11.253063      1.827720      0.976626
  H     -10.547955     -0.438203      1.876159
  H      -9.088534     -0.524847      3.896335
  N      -5.045503      1.887246      4.029560
  N      -5.805987      1.479824      3.045742
  H      -5.936917      2.113651      2.234680
  H      -6.672254      1.005391      3.323891
102
Coordinates from ORCA-job orca E -6484.886696030228
  N      -2.760897      0.497392      4.788111
  Mo     -3.961933      1.967635      5.456763
  N      -5.211583      1.445870      6.896651
  C      -4.719361      1.250050      8.253347
  C      -3.255992      0.839025      8.201323
  N      -2.543215      1.694083      7.219455
  C      -1.323798      1.045788      6.683831
  C      -1.715929     -0.008751      5.669459
  C      -2.257573      3.044982      7.755632
  C      -2.148235      4.028901      6.604818
  N      -3.261730      3.840461      5.667477
  H      -0.812669     -0.294018      5.097779
  H      -2.056941     -0.938371      6.173857
  H      -0.732963      1.827306      6.186561
  H      -0.714790      0.623015      7.503305
  H      -2.167221      5.050877      7.024256
  H      -1.172456      3.927638      6.089174
  H      -3.104099      3.331913      8.394187
  H      -1.344144      3.031651      8.378282
  H      -5.298113      0.456361      8.763930
  H      -4.848981      2.165590      8.865965
  H      -3.185442     -0.196764      7.843236
  H      -2.772410      0.897004      9.192793
  C      -2.962364     -0.396760      3.652009
  C      -1.937524     -0.180373      2.521286
  C      -2.361339      0.892781      1.537331
  O      -3.438154      0.307210      0.762016
  C      -4.079489      0.928835     -0.246486
  C      -5.057558      0.164317     -0.879559
  C      -5.758363      0.680223     -1.975336
  N      -5.599307      1.902706     -2.471526
  C      -4.679170      2.685808     -1.844763
  C      -4.503679      4.015754     -2.303940
  C      -3.569948      4.830393     -1.702564
  C      -2.800538      4.307371     -0.641865
  N      -2.932087      3.078559     -0.165868
  C      -3.861435      2.261687     -0.735438
  C      -3.624901      5.135271      5.083730
  C      -4.700950      5.094939      4.011487
  C      -4.141341      4.607279      2.683764
  O      -5.160805      4.027057      1.857769
  C      -5.965657      4.809754      1.116980
  C      -5.854729      6.182637      0.945106
  C      -6.745203      6.825699      0.062650
  N      -7.697790      6.226421     -0.640167
  C      -7.825917      4.876314     -0.466465
  C      -8.820200      4.167297     -1.183820
  C      -8.950352      2.806872     -0.993221
  C      -8.103703      2.157988     -0.072972
  N      -7.158671      2.778879      0.625359
  C      -7.005177      4.116574      0.421442
  C      -6.661926      1.562449      6.805579
  C      -7.220207      2.899718      7.339872
  C      -8.401925      3.384703      6.522164
  O      -7.879650      3.886340      5.263459
  C      -8.747481      3.927788      4.206067
  C      -9.030472      5.150253      3.611394
  C      -9.884325      5.194376      2.496580
  N     -10.461558      4.127895      1.948022
  C     -10.155624      2.914745      2.488999
  C     -10.665123      1.739269      1.881108
  C     -10.297711      0.500500      2.381789
  C      -9.443723      0.443191      3.497020
  N      -8.955798      1.517136      4.122292
  C      -9.292677      2.742596      3.625782
  H      -2.902842     -1.445647      4.003598
  H      -3.972277     -0.257759      3.244271
  H      -0.964969      0.108195      2.951008
  H      -1.773232     -1.117908      1.966016
  H      -1.546961      1.185913      0.861991
  H      -2.726643      1.794506      2.046636
  H      -5.263026     -0.842089     -0.512263
  H      -6.493099      0.041617     -2.476538
  H      -5.131552      4.358371     -3.127723
  H      -3.420719      5.860043     -2.030453
  H      -2.044699      4.934456     -0.157021
  H      -2.714842      5.618980      4.668478
  H      -3.966680      5.796668      5.903815
  H      -5.131386      6.101628      3.903115
  H      -5.512085      4.423715      4.331243
  H      -3.438025      3.782950      2.850774
  H      -3.612386      5.403047      2.134996
  H      -5.095854      6.769074      1.460749
  H      -6.653516      7.908733     -0.073412
  H      -9.465784      4.724128     -1.864281
  H      -9.717749      2.239712     -1.521928
  H      -8.212404      1.086064      0.108984
  H      -7.135149      0.722311      7.351139
  H      -6.953772      1.468367      5.753202
  H      -6.429352      3.666621      7.281986
  H      -7.518464      2.822220      8.396981
  H      -8.928469      4.214666      7.023649
  H      -9.115084      2.570542      6.326840
  H      -8.598544      6.064385      4.019787
  H     -10.110504      6.159030      2.030837
  H     -11.317909      1.849793      1.014548
  H     -10.639938     -0.424146      1.914178
  H      -9.145000     -0.527662      3.906436
  N      -5.058560      1.881808      4.036749
  N      -5.825382      1.469132      3.057603
  H      -5.960146      2.095373      2.240734
  H      -6.689983      0.995775      3.345417
102
Coordinates from ORCA-job orca E -6484.887111455574
  N      -2.762259      0.505532      4.783003
  Mo     -3.966283      1.968778      5.459278
  N      -5.210210      1.436846      6.901130
  C      -4.715142      1.239800      8.256024
  C      -3.251537      0.833607      8.199289
  N      -2.543254      1.693141      7.218382
  C      -1.322340      1.050619      6.679017
  C      -1.713896     -0.001637      5.661347
  C      -2.262637      3.043664      7.758310
  C      -2.159235      4.033009      6.611416
  N      -3.270920      3.842327      5.673225
  H      -0.811803     -0.283920      5.086542
  H      -2.051548     -0.933251      6.163981
  H      -0.735474      1.836236      6.183106
  H      -0.710364      0.627168      7.495707
  H      -2.186040      5.052958      7.036423
  H      -1.182845      3.942677      6.094558
  H      -3.109603      3.325719      8.398386
  H      -1.348680      3.032724      8.380007
  H      -5.290588      0.443381      8.766029
  H      -4.846540      2.153916      8.870766
  H      -3.179085     -0.200896      7.837694
  H      -2.765324      0.890046      9.189563
  C      -2.962724     -0.387469      3.644813
  C      -1.935185     -0.172203      2.517098
  C      -2.349057      0.907913      1.536853
  O      -3.427934      0.331558      0.756949
  C      -4.065428      0.961150     -0.250055
  C      -5.049677      0.204711     -0.882792
  C      -5.755256      0.731304     -1.970669
  N      -5.590118      1.954570     -2.461855
  C      -4.658072      2.727369     -1.840018
  C      -4.472425      4.056047     -2.298383
  C      -3.524874      4.859324     -1.703796
  C      -2.752725      4.326007     -0.649964
  N      -2.894180      3.097985     -0.174094
  C      -3.836794      2.292356     -0.737283
  C      -3.621254      5.133642      5.073863
  C      -4.700400      5.091331      4.004070
  C      -4.148124      4.593173      2.677024
  O      -5.172090      4.006305      1.859932
  C      -5.976514      4.781178      1.109843
  C      -5.863381      6.151722      0.919752
  C      -6.750264      6.783232      0.025373
  N      -7.701432      6.175446     -0.672219
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  C      -8.826648      4.110503     -1.188280
  C      -8.958455      2.752626     -0.978702
  C      -8.115884      2.116400     -0.046912
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  C      -7.016307      4.080448      0.422680
  C      -6.661380      1.549907      6.814420
  C      -7.220150      2.888300      7.345929
  C      -8.395861      3.378620      6.523080
  O      -7.867553      3.871771      5.263791
  C      -8.735993      3.923723      4.207140
  C      -9.001764      5.150526      3.613349
  C      -9.857838      5.208814      2.501157
  N     -10.454132      4.151871      1.954324
  C     -10.166222      2.933915      2.495121
  C     -10.701771      1.767671      1.892176
  C     -10.356498      0.522595      2.394130
  C      -9.495051      0.450920      3.502089
  N      -8.981698      1.516090      4.122214
  C      -9.300937      2.747642      3.627967
  H      -2.904297     -1.436527      3.995785
  H      -3.972107     -0.248343      3.235770
  H      -0.961546      0.107495      2.950170
  H      -1.776679     -1.108482      1.957738
  H      -1.530804      1.199660      0.866040
  H      -2.709306      1.809568      2.050561
  H      -5.259818     -0.801637     -0.518321
  H      -6.500957      0.102973     -2.468786
  H      -5.103644      4.406965     -3.116118
  H      -3.367109      5.887950     -2.031024
  H      -1.985706      4.943370     -0.170065
  H      -2.706684      5.602754      4.651310
  H      -3.953531      5.808033      5.887173
  H      -5.127624      6.098500      3.888663
  H      -5.512297      4.425550      4.331943
  H      -3.443531      3.769890      2.845343
  H      -3.620589      5.383928      2.120074
  H      -5.103992      6.743949      1.427983
  H      -6.656027      7.863937     -0.126922
  H      -9.468540      4.657836     -1.879845
  H      -9.722475      2.177092     -1.503017
  H      -8.225907      1.046843      0.149218
  H      -7.131606      0.711527      7.365097
  H      -6.956441      1.450798      5.763585
  H      -6.426741      3.652853      7.293681
  H      -7.525670      2.810548      8.400903
  H      -8.917796      4.214249      7.020003
  H      -9.113994      2.568429      6.328688
  H      -8.555621      6.058050      4.021242
  H     -10.070235      6.177376      2.037538
  H     -11.357959      1.889344      1.029578
  H     -10.722397     -0.395852      1.932352
  H      -9.210727     -0.524950      3.909783
  N      -5.072951      1.880083      4.047492
  N      -5.850116      1.461941      3.079087
  H      -5.987301      2.079335      2.255106
  H      -6.716365      1.001386      3.381467
102
Coordinates from ORCA-job orca E -6484.887450865501
  N      -2.764400      0.515735      4.779085
  Mo     -3.974491      1.969327      5.464905
  N      -5.209336      1.423497      6.910020
  C      -4.707358      1.223883      8.262012
  C      -3.241160      0.827133      8.197703
  N      -2.542685      1.695851      7.218186
  C      -1.320278      1.065192      6.669965
  C      -1.708217      0.013011      5.650692
  C      -2.272075      3.046620      7.761587
  C      -2.179627      4.042183      6.619247
  N      -3.289174      3.846008      5.679468
  H      -0.805872     -0.258742      5.071336
  H      -2.036568     -0.923050      6.150892
  H      -0.742480      1.856945      6.173121
  H      -0.700330      0.643728      7.481757
  H      -2.218229      5.059421      7.050489
  H      -1.201788      3.967887      6.102121
  H      -3.120424      3.319139      8.403970
  H      -1.356937      3.042507      8.381631
  H      -5.276328      0.422415      8.771246
  H      -4.840955      2.135076      8.880862
  H      -3.162508     -0.205325      7.831500
  H      -2.752307      0.882778      9.186801
  C      -2.963805     -0.377912      3.641083
  C      -1.938397     -0.158815      2.512595
  C      -2.350449      0.925409      1.535901
  O      -3.430228      0.354630      0.754666
  C      -4.065381      0.989317     -0.250400
  C      -5.050067      0.237420     -0.887925
  C      -5.761253      0.774161     -1.967039
  N      -5.595789      2.000970     -2.449874
  C      -4.657294      2.766184     -1.828446
  C      -4.467648      4.096488     -2.280646
  C      -3.513234      4.891942     -1.686303
  C      -2.738226      4.349588     -0.639320
  N      -2.882855      3.119750     -0.169320
  C      -3.832985      2.321848     -0.731488
  C      -3.625446      5.132302      5.062243
  C      -4.700161      5.085551      3.988778
  C      -4.145884      4.576162      2.666198
  O      -5.169580      3.984672      1.853119
  C      -5.966752      4.753662      1.089108
  C      -5.844006      6.120536      0.879216
  C      -6.723789      6.743466     -0.027851
  N      -7.676848      6.130527     -0.719145
  C      -7.819485      4.788047     -0.503768
  C      -8.815597      4.065212     -1.204877
  C      -8.957230      2.711627     -0.973127
  C      -8.123433      2.085577     -0.027128
  N      -7.176819      2.720203      0.657620
  C      -7.010277      4.049160      0.412102
  C      -6.662011      1.531609      6.829802
  C      -7.223756      2.869493      7.360383
  C      -8.393781      3.362332      6.531043
  O      -7.856074      3.847752      5.272790
  C      -8.718418      3.913824      4.212187
  C      -8.959112      5.144341      3.615397
  C      -9.809260      5.217453      2.499527
  N     -10.424963      4.171534      1.953051
  C     -10.164258      2.949443      2.497972
  C     -10.727785      1.793590      1.900440
  C     -10.414341      0.543091      2.409282
  C      -9.549854      0.455032      3.513876
  N      -9.008266      1.510439      4.126724
  C      -9.303496      2.747363      3.631714
  H      -2.900842     -1.426613      3.992462
  H      -3.974094     -0.242989      3.233164
  H      -0.963119      0.117390      2.944291
  H      -1.782815     -1.093203      1.949163
  H      -1.530434      1.216489      0.866920
  H      -2.706694      1.827321      2.052394
  H      -5.259086     -0.771934     -0.531149
  H      -6.514633      0.153873     -2.463548
  H      -5.101846      4.454121     -3.093221
  H      -3.352262      5.921575     -2.008500
  H      -1.964592      4.960500     -0.161707
  H      -2.705101      5.588748      4.638248
  H      -3.954564      5.819410      5.866252
  H      -5.123534      6.093307      3.864899
  H      -5.515877      4.425217      4.318087
  H      -3.443080      3.752792      2.841685
  H      -3.616183      5.361699      2.104087
  H      -5.081521      6.714841      1.380524
  H      -6.622291      7.820859     -0.197847
  H      -9.450877      4.605274     -1.908183
  H      -9.720760      2.130619     -1.492169
  H      -8.240435      1.019886      0.185772
  H      -7.125401      0.692029      7.384042
  H      -6.961545      1.430149      5.780374
  H      -6.428767      3.632846      7.314822
  H      -7.536735      2.791172      8.413131
  H      -8.913211      4.202547      7.022907
  H      -9.115238      2.555309      6.335496
  H      -8.497219      6.043484      4.024355
  H      -9.999951      6.188923      2.032615
  H     -11.381908      1.927174      1.037935
  H     -10.807672     -0.368360      1.956267
  H      -9.286296     -0.525860      3.923248
  N      -5.091363      1.873831      4.064491
  N      -5.877830      1.450621      3.105001
  H      -6.016183      2.060253      2.274893
  H      -6.746234      1.003201      3.419451
102
Coordinates from ORCA-job orca E -6484.887629386721
  N      -2.773914      0.528063      4.773635
  Mo     -3.983077      1.976685      5.471443
  N      -5.207355      1.420330      6.921938
  C      -4.696258      1.218067      8.270495
  C      -3.228600      0.826044      8.195861
  N      -2.539756      1.701774      7.216266
  C      -1.320212      1.077844      6.655818
  C      -1.710904      0.026620      5.636718
  C      -2.272178      3.051794      7.761723
  C      -2.190805      4.052200      6.622960
  N      -3.303555      3.855242      5.686407
  H      -0.810202     -0.237851      5.051634
  H      -2.032864     -0.912416      6.135349
  H      -0.748691      1.872448      6.156501
  H      -0.692375      0.656004      7.461591
  H      -2.233897      5.066901      7.059745
  H      -1.214177      3.988092      6.101990
  H      -3.118640      3.317844      8.409307
  H      -1.353761      3.051015      8.376998
  H      -5.259649      0.413255      8.780495
  H      -4.828303      2.126776      8.893234
  H      -3.147687     -0.204446      7.824686
  H      -2.735122      0.879132      9.182879
  C      -2.981986     -0.366539      3.638409
  C      -1.958359     -0.160518      2.506108
  C      -2.358398      0.924791      1.524835
  O      -3.445196      0.366839      0.746025
  C      -4.059491      1.002859     -0.270708
  C      -5.055698      0.266503     -0.909034
  C      -5.752033      0.811092     -1.993686
  N      -5.557390      2.030634     -2.485629
  C      -4.603296      2.778736     -1.867280
  C      -4.381496      4.101056     -2.328912
  C      -3.413355      4.880125     -1.734393
  C      -2.655360      4.329220     -0.679852
  N      -2.829009      3.106564     -0.201842
  C      -3.794667      2.325475     -0.762429
  C      -3.639005      5.141203      5.068429
  C      -4.712385      5.094152      3.994518
  C      -4.153661      4.596060      2.669011
  O      -5.172450      3.999948      1.855855
  C      -5.970251      4.765840      1.089188
  C      -5.848887      6.132077      0.875305
  C      -6.725254      6.749401     -0.038426
  N      -7.672948      6.130830     -0.733138
  C      -7.815383      4.789450     -0.512125
  C      -8.805417      4.060592     -1.215812
  C      -8.947404      2.708328     -0.975436
  C      -8.122478      2.090221     -0.016512
  N      -7.180592      2.729809      0.670111
  C      -7.010976      4.056703      0.413327
  C      -6.661440      1.519545      6.850027
  C      -7.229408      2.856120      7.377720
  C      -8.399881      3.341824      6.545109
  O      -7.861184      3.817077      5.283472
  C      -8.722456      3.886103      4.223040
  C      -8.949028      5.114700      3.617054
  C      -9.800925      5.189932      2.502647
  N     -10.433235      4.148017      1.967600
  C     -10.188457      2.927375      2.522212
  C     -10.774615      1.774817      1.940155
  C     -10.479682      0.524891      2.460351
  C      -9.605351      0.432725      3.557412
  N      -9.040658      1.485409      4.153995
  C      -9.323731      2.722036      3.652514
  H      -2.925065     -1.414279      3.994078
  H      -3.992403     -0.226108      3.232806
  H      -0.977762      0.104804      2.932664
  H      -1.815829     -1.098384      1.945199
  H      -1.533671      1.199935      0.854586
  H      -2.700340      1.835226      2.035768
  H      -5.286887     -0.736185     -0.546925
  H      -6.520615      0.206235     -2.485674
  H      -5.004592      4.465792     -3.146926
  H      -3.229120      5.903985     -2.061640
  H      -1.870272      4.927022     -0.204349
  H      -2.718424      5.597448      4.645062
  H      -3.967904      5.828888      5.872179
  H      -5.141119      6.100619      3.877039
  H      -5.525917      4.427762      4.317950
  H      -3.443706      3.778114      2.839872
  H      -3.632141      5.389200      2.109949
  H      -5.088576      6.728653      1.377381
  H      -6.625446      7.826099     -0.213225
  H      -9.435695      4.595165     -1.927746
  H      -9.703551      2.120703     -1.497926
  H      -8.240869      1.026416      0.204598
  H      -7.113948      0.678163      7.410031
  H      -6.966771      1.412609      5.802658
  H      -6.436878      3.622073      7.332703
  H      -7.544570      2.779284      8.429956
  H      -8.918746      4.185824      7.031072
  H      -9.121666      2.533736      6.355403
  H      -8.473394      6.010312      4.018317
  H      -9.979170      6.159669      2.027119
  H     -11.432262      1.910491      1.080701
  H     -10.894805     -0.384407      2.022806
  H      -9.352377     -0.548533      3.972264
  N      -5.111464      1.881222      4.083509
  N      -5.907564      1.459823      3.130497
  H      -6.043700      2.066075      2.297174
  H      -6.779939      1.025810      3.453592
102
Coordinates from ORCA-job orca E -6484.887999909405
  N      -2.780117      0.533468      4.771723
  Mo     -3.984917      1.980088      5.478435
  N      -5.203666      1.418266      6.931318
  C      -4.691328      1.216901      8.278792
  C      -3.225337      0.824881      8.199503
  N      -2.538285      1.700847      7.219353
  C      -1.320000      1.076815      6.654500
  C      -1.714477      0.029011      5.631768
  C      -2.269197      3.050003      7.766848
  C      -2.190322      4.052543      6.629451
  N      -3.303688      3.856863      5.694634
  H      -0.816398     -0.235347      5.042885
  H      -2.034314     -0.911483      6.128967
  H      -0.749458      1.872971      6.155999
  H      -0.690146      0.652485      7.457112
  H      -2.234687      5.066265      7.069360
  H      -1.215158      3.991428      6.105584
  H      -3.113792      3.316985      8.416391
  H      -1.349725      3.047433      8.380130
  H      -5.253016      0.411328      8.789404
  H      -4.823841      2.125257      8.902056
  H      -3.146955     -0.204828      7.825667
  H      -2.727949      0.875458      9.184639
  C      -2.993076     -0.353776      3.630766
  C      -1.968542     -0.150451      2.499638
  C      -2.358555      0.946037      1.525982
  O      -3.449530      0.400531      0.742284
  C      -4.064537      1.044716     -0.270916
  C      -5.057279      0.308724     -0.914129
  C      -5.762028      0.860715     -1.990234
  N      -5.576232      2.085945     -2.469002
  C      -4.622782      2.832883     -1.848617
  C      -4.410988      4.160114     -2.300090
  C      -3.445362      4.939722     -1.703595
  C      -2.679336      4.383054     -0.657013
  N      -2.843489      3.154912     -0.189153
  C      -3.806556      2.372824     -0.752171
  C      -3.631839      5.139596      5.065953
  C      -4.703543      5.086912      3.989543
  C      -4.143607      4.574873      2.670280
  O      -5.161811      3.967596      1.862516
  C      -5.956432      4.723768      1.081398
  C      -5.828511      6.085229      0.840583
  C      -6.697890      6.687374     -0.089811
  N      -7.645158      6.059233     -0.776647
  C      -7.796938      4.723883     -0.526311
  C      -8.788745      3.984952     -1.216924
  C      -8.940460      2.639410     -0.943947
  C      -8.123962      2.039729      0.032611
  N      -7.179263      2.689786      0.705563
  C      -6.999834      4.007499      0.417634
  C      -6.657484      1.508310      6.860106
  C      -7.230181      2.847728      7.374131
  C      -8.387080      3.333475      6.523601
  O      -7.833152      3.795098      5.263800
  C      -8.691820      3.874233      4.202126
  C      -8.892220      5.106050      3.592961
  C      -9.743150      5.197410      2.479833
  N     -10.399335      4.168135      1.948494
  C     -10.180578      2.943930      2.507148
  C     -10.796990      1.804590      1.931412
  C     -10.530712      0.548905      2.455628
  C      -9.652783      0.439644      3.547074
  N      -9.060174      1.479918      4.139367
  C      -9.317926      2.722639      3.636292
  H      -2.943015     -1.403475      3.981659
  H      -4.003369     -0.204922      3.227112
  H      -0.984975      0.100364      2.927985
  H      -1.836635     -1.085938      1.932074
  H      -1.531855      1.221532      0.858950
  H      -2.694245      1.854273      2.045026
  H      -5.280073     -0.699042     -0.562060
  H      -6.529941      0.258788     -2.487001
  H      -5.040712      4.528474     -3.111304
  H      -3.268573      5.968141     -2.021465
  H      -1.896014      4.980650     -0.178263
  H      -2.707514      5.585166      4.638924
  H      -3.956036      5.837382      5.862729
  H      -5.129581      6.092923      3.858278
  H      -5.518634      4.425937      4.318579
  H      -3.430734      3.760190      2.848192
  H      -3.622312      5.362351      2.103486
  H      -5.067039      6.688204      1.332953
  H      -6.592152      7.759693     -0.286601
  H      -9.412312      4.505899     -1.944610
  H      -9.696044      2.041332     -1.454728
  H      -8.253553      0.983089      0.281566
  H      -7.106613      0.671159      7.428916
  H      -6.962512      1.388202      5.814526
  H      -6.435735      3.611879      7.337699
  H      -7.561366      2.775167      8.421667
  H      -8.905727      4.184778      6.996852
  H      -9.111804      2.527999      6.333144
  H      -8.398343      5.992814      3.992105
  H      -9.901508      6.170354      2.004427
  H     -11.454488      1.953234      1.074026
  H     -10.972072     -0.350547      2.023747
  H      -9.418198     -0.546332      3.961430
  N      -5.125866      1.888818      4.099761
  N      -5.934275      1.463334      3.159392
  H      -6.070586      2.058115      2.316795
  H      -6.810963      1.049222      3.500752
102
Coordinates from ORCA-job orca E -6484.888125686429
  N      -2.778336      0.537825      4.768945
  Mo     -3.991976      1.972705      5.480638
  N      -5.200982      1.404056      6.940001
  C      -4.680843      1.206568      8.285363
  C      -3.212911      0.823297      8.199034
  N      -2.537458      1.705508      7.216915
  C      -1.316549      1.090887      6.646383
  C      -1.706298      0.041345      5.624705
  C      -2.276323      3.056973      7.761703
  C      -2.206840      4.057674      6.621944
  N      -3.321857      3.854877      5.690371
  H      -0.808045     -0.214996      5.032755
  H      -2.018333     -0.901693      6.121958
  H      -0.752034      1.890800      6.147345
  H      -0.681866      0.669739      7.446926
  H      -2.253471      5.072390      7.058897
  H      -1.232975      3.998451      6.095428
  H      -3.120190      3.318063      8.414534
  H      -1.354396      3.061574      8.371340
  H      -5.235141      0.398044      8.799223
  H      -4.815245      2.114289      8.908894
  H      -3.130238     -0.205119      7.822647
  H      -2.711191      0.875364      9.181873
  C      -2.989170     -0.345538      3.625316
  C      -1.965447     -0.138805      2.494086
  C      -2.354102      0.963651      1.526128
  O      -3.445671      0.424383      0.740765
  C      -4.056384      1.072578     -0.273297
  C      -5.045224      0.337962     -0.924207
  C      -5.751135      0.895544     -1.995972
  N      -5.570755      2.126604     -2.463586
  C      -4.618589      2.870804     -1.837825
  C      -4.408962      4.201719     -2.280338
  C      -3.442608      4.978607     -1.680253
  C      -2.675544      4.416411     -0.637857
  N      -2.838176      3.184642     -0.177454
  C      -3.800423      2.404509     -0.745313
  C      -3.654309      5.133321      5.055326
  C      -4.722110      5.069214      3.975419
  C      -4.153951      4.546436      2.664044
  O      -5.164190      3.927088      1.856740
  C      -5.957959      4.672679      1.063083
  C      -5.834885      6.031872      0.808293
  C      -6.702103      6.620061     -0.132815
  N      -7.641899      5.979866     -0.819128
  C      -7.788624      4.646539     -0.556539
  C      -8.772082      3.894832     -1.245477
  C      -8.921766      2.552307     -0.956162
  C      -8.111161      1.968207      0.034892
  N      -7.174181      2.631209      0.706259
  C      -6.994983      3.945027      0.401269
  C      -6.656310      1.486277      6.878091
  C      -7.233053      2.823210      7.396559
  C      -8.383128      3.316736      6.540460
  O      -7.818514      3.784224      5.287358
  C      -8.673653      3.892992      4.225246
  C      -8.850626      5.135616      3.630512
  C      -9.699477      5.255417      2.518385
  N     -10.377856      4.245851      1.978015
  C     -10.182545      3.011268      2.521736
  C     -10.822086      1.890888      1.934549
  C     -10.578595      0.624144      2.442418
  C      -9.694807      0.484013      3.526071
  N      -9.079353      1.505497      4.127622
  C      -9.319962      2.759772      3.644590
  H      -2.938628     -1.396272      3.973598
  H      -3.999155     -0.194961      3.221968
  H      -0.979651      0.106223      2.920751
  H      -1.837497     -1.072041      1.922119
  H      -1.526905      1.240233      0.859719
  H      -2.688322      1.870487      2.048443
  H      -5.264074     -0.673344     -0.579642
  H      -6.514611      0.293057     -2.498768
  H      -5.039331      4.574530     -3.088969
  H      -3.266578      6.008782     -1.993713
  H      -1.892460      5.012203     -0.156451
  H      -2.730132      5.579502      4.629032
  H      -3.984352      5.833894      5.847131
  H      -5.150988      6.072689      3.835092
  H      -5.536539      4.408040      4.305863
  H      -3.438098      3.737352      2.856473
  H      -3.632924      5.330212      2.092005
  H      -5.079539      6.643938      1.298866
  H      -6.600602      7.690853     -0.339605
  H      -9.392555      4.404383     -1.983788
  H      -9.673393      1.946503     -1.463683
  H      -8.241473      0.915579      0.300139
  H      -7.095117      0.645930      7.449907
  H      -6.968229      1.363859      5.834719
  H      -6.437805      3.586839      7.372877
  H      -7.572583      2.742949      8.440815
  H      -8.901668      4.167170      7.015563
  H      -9.109339      2.515156      6.340377
  H      -8.338912      6.007568      4.039007
  H      -9.835801      6.235440      2.050217
  H     -11.479991      2.062826      1.081770
  H     -11.040751     -0.261134      2.002945
  H      -9.474875     -0.511412      3.925344
  N      -5.140780      1.869806      4.111906
  N      -5.955316      1.437833      3.181945
  H      -6.086123      2.019882      2.328384
  H      -6.837064      1.041890      3.532213
102
Coordinates from ORCA-job orca E -6484.888293344522
  N      -2.787047      0.553587      4.764828
  Mo     -4.002579      1.979340      5.490085
  N      -5.198451      1.396918      6.954819
  C      -4.669211      1.199713      8.296760
  C      -3.199184      0.825561      8.200377
  N      -2.535589      1.714732      7.216328
  C      -1.315494      1.109969      6.634695
  C      -1.706173      0.060674      5.612055
  C      -2.280473      3.066400      7.763168
  C      -2.223091      4.071627      6.627395
  N      -3.339000      3.863818      5.698248
  H      -0.809934     -0.188207      5.013989
  H      -2.008895     -0.886139      6.107731
  H      -0.760802      1.915646      6.133912
  H      -0.671343      0.690486      7.428395
  H      -2.278148      5.084001      7.069025
  H      -1.250369      4.024874      6.097535
  H      -3.123066      3.320541      8.420359
  H      -1.355740      3.075884      8.368486
  H      -5.215879      0.386845      8.811827
  H      -4.805416      2.105351      8.922974
  H      -3.113142     -0.201307      7.820632
  H      -2.691208      0.877990      9.179965
  C      -3.002518     -0.331416      3.622358
  C      -1.980827     -0.126207      2.488633
  C      -2.367627      0.974593      1.519352
  O      -3.461643      0.438340      0.736786
  C      -4.062982      1.090210     -0.279855
  C      -5.057254      0.364809     -0.932267
  C      -5.767937      0.935809     -1.993583
  N      -5.580550      2.168366     -2.454369
  C      -4.613961      2.899008     -1.834017
  C      -4.391106      4.228257     -2.273716
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  C      -2.644334      4.416365     -0.641857
  N      -2.818860      3.185779     -0.183629
  C      -3.794477      2.419744     -0.748158
  C      -3.662898      5.139980      5.053568
  C      -4.725618      5.075743      3.970101
  C      -4.152431      4.539210      2.666223
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  C      -5.799342      6.019831      0.777118
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  C      -8.146139      1.981684      0.077422
  N      -7.196366      2.640979      0.736155
  C      -6.994726      3.945938      0.406955
  C      -6.655386      1.465419      6.899002
  C      -7.243277      2.802464      7.406238
  C      -8.383534      3.288509      6.533111
  O      -7.803582      3.739093      5.280942
  C      -8.648691      3.853102      4.210741
  C      -8.796311      5.093102      3.601983
  C      -9.634266      5.218963      2.482083
  N     -10.331206      4.218054      1.948675
  C     -10.165995      2.985673      2.507872
  C     -10.832718      1.873991      1.934715
  C     -10.622601      0.608106      2.460303
  C      -9.737628      0.458972      3.541003
  N      -9.095835      1.472391      4.129068
  C      -9.312327      2.727499      3.635943
  H      -2.950707     -1.382031      3.970835
  H      -4.014221     -0.181802      3.222805
  H      -0.993019      0.116434      2.911931
  H      -1.857238     -1.060325      1.917109
  H      -1.539730      1.248118      0.852077
  H      -2.698812      1.883135      2.041101
  H      -5.282063     -0.646569     -0.591702
  H      -6.545739      0.346770     -2.490332
  H      -5.022569      4.610922     -3.076818
  H      -3.221958      6.018865     -1.990500
  H      -1.850579      5.000893     -0.164145
  H      -2.734306      5.576997      4.626681
  H      -3.989148      5.848541      5.839504
  H      -5.147360      6.080763      3.819395
  H      -5.546024      4.422563      4.300612
  H      -3.441981      3.727873      2.868743
  H      -3.623086      5.314663      2.090962
  H      -5.034518      6.627768      1.258016
  H      -6.536819      7.670155     -0.401358
  H      -9.383073      4.401817     -1.987576
  H      -9.704977      1.957154     -1.422488
  H      -8.295761      0.937000      0.362626
  H      -7.083108      0.626230      7.480590
  H      -6.971211      1.329805      5.858383
  H      -6.450082      3.568628      7.390908
  H      -7.597024      2.724716      8.445925
  H      -8.905878      4.145138      6.992854
  H      -9.108505      2.485644      6.334274
  H      -8.270117      5.958423      4.006350
  H      -9.745864      6.196480      2.001966
  H     -11.486593      2.051295      1.079971
  H     -11.110973     -0.270117      2.035026
  H      -9.537256     -0.537168      3.948624
  N      -5.167426      1.875733      4.136299
  N      -5.995687      1.443708      3.217489
  H      -6.127567      2.016251      2.355939
  H      -6.878807      1.064780      3.582421
102
Coordinates from ORCA-job orca E -6484.888167511340
  N      -2.790793      0.577821      4.757702
  Mo     -3.998255      2.001812      5.497343
  N      -5.198051      1.406271      6.954363
  C      -4.673718      1.195705      8.295618
  C      -3.207349      0.813340      8.197148
  N      -2.537107      1.708564      7.223834
  C      -1.319081      1.101828      6.638595
  C      -1.715873      0.068042      5.603266
  C      -2.274382      3.052169      7.786994
  C      -2.209163      4.070176      6.662701
  N      -3.325285      3.880254      5.730355
  H      -0.821294     -0.184068      5.004294
  H      -2.027915     -0.880456      6.089701
  H      -0.756026      1.908964      6.149490
  H      -0.681333      0.667557      7.429364
  H      -2.257881      5.077777      7.115999
  H      -1.236535      4.022632      6.132424
  H      -3.116037      3.304143      8.446196
  H      -1.350444      3.048245      8.393453
  H      -5.225494      0.381127      8.802407
  H      -4.806964      2.096644      8.929328
  H      -3.128644     -0.209414      7.804631
  H      -2.699247      0.850626      9.177299
  C      -3.016368     -0.304862      3.614931
  C      -1.995932     -0.118493      2.477757
  C      -2.377587      0.972485      1.495578
  O      -3.472264      0.425130      0.719610
  C      -4.079194      1.060085     -0.306164
  C      -5.065398      0.315728     -0.949665
  C      -5.786160      0.867727     -2.014389
  N      -5.613783      2.097345     -2.488113
  C      -4.653334      2.845342     -1.878994
  C      -4.449069      4.173028     -2.332062
  C      -3.478236      4.954647     -1.745085
  C      -2.703052      4.400528     -0.704636
  N      -2.860786      3.172069     -0.233945
  C      -3.825901      2.387076     -0.789897
  C      -3.649034      5.167107      5.106215
  C      -4.708553      5.116498      4.017652
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  O      -5.123975      3.984856      1.890708
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  C      -5.754803      6.085457      0.807318
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  C      -8.686031      3.952610     -1.259192
  C      -8.861930      2.618390     -0.944940
  C      -8.081709      2.043041      0.074646
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  C      -6.654696      1.464927      6.897360
  C      -7.252328      2.800988      7.396290
  C      -8.388290      3.279974      6.515473
  O      -7.805738      3.708814      5.257724
  C      -8.653642      3.805662      4.188828
  C      -8.796316      5.035409      3.559451
  C      -9.645128      5.147577      2.446805
  N     -10.354339      4.142240      1.937426
  C     -10.191472      2.918216      2.516055
  C     -10.876196      1.802433      1.973266
  C     -10.673344      0.545067      2.522976
  C      -9.776171      0.408611      3.594673
  N      -9.116870      1.426734      4.154997
  C      -9.328301      2.674558      3.640064
  H      -2.975010     -1.354694      3.967138
  H      -4.027436     -0.145791      3.217768
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  H      -1.548997      1.236473      0.826251
  H      -2.707713      1.887850      2.006089
  H      -5.278068     -0.694179     -0.597033
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  H      -3.306084      5.983079     -2.064955
  H      -1.917644      5.000457     -0.232006
  H      -2.719822      5.612700      4.689586
  H      -3.979594      5.860993      5.903412
  H      -5.139487      6.120100      3.881582
  H      -5.524006      4.450881      4.334359
  H      -3.402550      3.803562      2.901480
  H      -3.603209      5.396583      2.144906
  H      -4.997325      6.694766      1.298120
  H      -6.470297      7.731850     -0.389482
  H      -9.280384      4.454255     -2.023916
  H      -9.605389      2.009300     -1.460485
  H      -8.235447      0.998763      0.360151
  H      -7.077730      0.627684      7.484974
  H      -6.968502      1.318275      5.857703
  H      -6.463130      3.570954      7.385143
  H      -7.614083      2.722160      8.433035
  H      -8.908307      4.145089      6.961794
  H      -9.115725      2.476331      6.327701
  H      -8.258773      5.903904      3.943408
  H      -9.758914      6.118540      1.955282
  H     -11.539463      1.969405      1.123566
  H     -11.177401     -0.335597      2.122358
  H      -9.579336     -0.581229      4.018988
  N      -5.166519      1.923830      4.143790
  N      -6.002454      1.509127      3.225008
  H      -6.117998      2.081444      2.360327
  H      -6.897115      1.158429      3.591367
102
Coordinates from ORCA-job orca E -6484.888315951667
  N      -2.787157      0.572584      4.755247
  Mo     -4.010735      1.982494      5.496481
  N      -5.200853      1.378013      6.957117
  C      -4.668411      1.170359      8.296410
  C      -3.196369      0.806416      8.193781
  N      -2.541161      1.711424      7.219171
  C      -1.317362      1.122235      6.629222
  C      -1.701613      0.079988      5.596907
  C      -2.297015      3.059092      7.780762
  C      -2.247406      4.077028      6.656007
  N      -3.359665      3.869687      5.722073
  H      -0.804093     -0.156607      4.995869
  H      -1.996396     -0.873833      6.083872
  H      -0.769790      1.937210      6.135674
  H      -0.668560      0.699523      7.417462
  H      -2.312749      5.083840      7.108798
  H      -1.273270      4.045359      6.127394
  H      -3.142035      3.299444      8.440098
  H      -1.372737      3.069544      8.386762
  H      -5.209639      0.349327      8.804053
  H      -4.809074      2.069029      8.931735
  H      -3.104608     -0.215329      7.801654
  H      -2.686719      0.850935      9.172858
  C      -3.000839     -0.307192      3.608210
  C      -1.976785     -0.100938      2.476793
  C      -2.364477      0.992846      1.498894
  O      -3.447206      0.442371      0.709137
  C      -4.044091      1.076242     -0.322395
  C      -5.011897      0.324923     -0.985465
  C      -5.717607      0.872475     -2.062693
  N      -5.545030      2.102956     -2.533699
  C      -4.602547      2.857964     -1.905747
  C      -4.398584      4.186315     -2.356516
  C      -3.445877      4.975478     -1.750970
  C      -2.686997      4.428049     -0.694890
  N      -2.843478      3.198704     -0.227247
  C      -3.793250      2.406539     -0.800104
  C      -3.694187      5.150017      5.092186
  C      -4.747487      5.081153      4.001097
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  O      -5.151507      3.924650      1.888140
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  C      -5.820139      6.012547      0.802927
  C      -6.677085      6.579399     -0.159743
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  C      -8.092081      1.933232      0.099489
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  C      -6.658364      1.444081      6.907716
  C      -7.246898      2.776827      7.426887
  C      -8.374986      3.279784      6.547477
  O      -7.781099      3.733896      5.303678
  C      -8.620957      3.874422      4.231940
  C      -8.744943      5.123545      3.636183
  C      -9.585815      5.278047      2.522262
  N     -10.308775      4.297735      1.984481
  C     -10.166171      3.056365      2.530000
  C     -10.865767      1.966178      1.954994
  C     -10.678229      0.690188      2.465888
  C      -9.779386      0.509388      3.529762
  N      -9.106910      1.502200      4.119730
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  H      -2.950133     -1.358749      3.954105
  H      -4.011933     -0.155613      3.207952
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  H      -1.847353     -1.037276      1.910082
  H      -1.533313      1.269797      0.837961
  H      -2.707427      1.901401      2.013002
  H      -5.220061     -0.688469     -0.640732
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  H      -3.274420      6.004667     -2.068996
  H      -1.914413      5.033981     -0.209141
  H      -2.768568      5.604148      4.676884
  H      -4.035226      5.844344      5.884721
  H      -5.183923      6.080601      3.854838
  H      -5.559966      4.412839      4.320264
  H      -3.429614      3.766106      2.900879
  H      -3.641230      5.351317      2.127963
  H      -5.069473      6.634825      1.287956
  H      -6.573818      7.645464     -0.389257
  H      -9.338406      4.318146     -2.000768
  H      -9.621026      1.869041     -1.428223
  H      -8.230521      0.889033      0.392005
  H      -7.080394      0.599901      7.485805
  H      -6.979053      1.314816      5.867862
  H      -6.449958      3.539019      7.433540
  H      -7.614995      2.685355      8.460407
  H      -8.894364      4.136773      7.009758
  H      -9.104898      2.484236      6.336174
  H      -8.198781      5.973415      4.047072
  H      -9.679426      6.262380      2.052426
  H     -11.526708      2.166832      1.110871
  H     -11.194849     -0.171475      2.040424
  H      -9.591129     -0.495778      3.920545
  N      -5.181945      1.884968      4.148782
  N      -6.016045      1.455230      3.233549
  H      -6.143846      2.022272      2.367215
  H      -6.904762      1.092379      3.604504
102
Coordinates from ORCA-job orca E -6484.887814529704
  N      -2.812524      0.537514      4.755830
  Mo     -4.020157      1.965582      5.481092
  N      -5.204951      1.407339      6.965311
  C      -4.663357      1.225710      8.304927
  C      -3.197077      0.840144      8.198107
  N      -2.540612      1.715682      7.198001
  C      -1.327683      1.097077      6.611662
  C      -1.730265      0.043380      5.599133
  C      -2.273119      3.072525      7.726166
  C      -2.218856      4.061591      6.575485
  N      -3.345441      3.851099      5.658306
  H      -0.838849     -0.213545      4.997492
  H      -2.037159     -0.898392      6.101915
  H      -0.768081      1.894172      6.103247
  H      -0.683227      0.677885      7.405504
  H      -2.256534      5.081483      6.999859
  H      -1.251556      3.992107      6.038180
  H      -3.107246      3.337630      8.389797
  H      -1.341921      3.083463      8.321702
  H      -5.209621      0.423580      8.836734
  H      -4.786699      2.140448      8.920017
  H      -3.122565     -0.190724      7.827052
  H      -2.678350      0.899066      9.171536
  C      -3.036038     -0.329007      3.602438
  C      -2.006289     -0.128146      2.474387
  C      -2.363416      1.004698      1.528517
  O      -3.472404      0.522547      0.732852
  C      -4.043343      1.212739     -0.277740
  C      -5.054582      0.530745     -0.951729
  C      -5.734639      1.139810     -2.011340
  N      -5.503794      2.373580     -2.450938
  C      -4.522432      3.063370     -1.807886
  C      -4.250119      4.390250     -2.227787
  C      -3.249633      5.111916     -1.613239
  C      -2.515492      4.500118     -0.576105
  N      -2.736551      3.269819     -0.135054
  C      -3.730015      2.542492     -0.720535
  C      -3.673596      5.121590      5.004585
  C      -4.731115      5.038761      3.916336
  C      -4.151831      4.462416      2.631824
  O      -5.159757      3.832121      1.832688
  C      -5.933083      4.567939      1.008453
  C      -5.773561      5.912086      0.699287
  C      -6.628945      6.486295     -0.260706
  N      -7.592015      5.846758     -0.914712
  C      -7.776290      4.530365     -0.597688
  C      -8.790609      3.781988     -1.244162
  C      -8.981801      2.458764     -0.895438
  C      -8.178989      1.890484      0.110857
  N      -7.213490      2.551600      0.743239
  C      -6.994751      3.845312      0.381529
  C      -6.662316      1.478541      6.927734
  C      -7.240253      2.827758      7.416868
  C      -8.377828      3.311374      6.538205
  O      -7.799390      3.727423      5.273431
  C      -8.655669      3.837461      4.211538
  C      -8.787276      5.065396      3.575387
  C      -9.642299      5.179881      2.467121
  N     -10.373130      4.182494      1.974547
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  C     -10.926503      1.849541      2.029999
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  C      -9.818727      0.449346      3.641335
  N      -9.142363      1.463323      4.188627
  C      -9.350106      2.711484      3.674085
  H      -3.008637     -1.385238      3.936862
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  H      -1.905479     -1.054439      1.886134
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  H      -5.310508     -0.479989     -0.631961
  H      -6.517617      0.577089     -2.530032
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  H      -3.022883      6.136014     -1.914744
  H      -1.708316      5.052471     -0.082914
  H      -2.745382      5.559378      4.578825
  H      -4.009888      5.833679      5.783177
  H      -5.148177      6.041895      3.741720
  H      -5.556745      4.397044      4.256664
  H      -3.451524      3.651451      2.870237
  H      -3.609462      5.216790      2.040235
  H      -5.001126      6.523334      1.163474
  H      -6.498386      7.544866     -0.509766
  H      -9.402872      4.279834     -1.997148
  H      -9.760136      1.859109     -1.368948
  H      -8.344298      0.857526      0.428107
  H      -7.080649      0.651449      7.532575
  H      -6.993682      1.321534      5.894984
  H      -6.441242      3.587272      7.393738
  H      -7.594841      2.763587      8.457150
  H      -8.886303      4.183998      6.983007
  H      -9.114707      2.514498      6.360183
  H      -8.233677      5.927953      3.947419
  H      -9.739857      6.145648      1.960530
  H     -11.597477      2.020416      1.187229
  H     -11.248430     -0.284656      2.190259
  H      -9.625773     -0.540949      4.066164
  N      -5.199356      1.847377      4.143959
  N      -6.042864      1.410092      3.245070
  H      -6.158367      1.953794      2.361270
  H      -6.939060      1.071979      3.623878
102
Coordinates from ORCA-job orca E -6484.888454822151
  N      -2.785647      0.568861      4.760252
  Mo     -4.008282      1.980314      5.497942
  N      -5.196379      1.385273      6.964491
  C      -4.661911      1.186666      8.304300
  C      -3.190972      0.819542      8.200905
  N      -2.535995      1.716871      7.218787
  C      -1.313616      1.120854      6.631513
  C      -1.701667      0.076220      5.603781
  C      -2.286591      3.067476      7.771434
  C      -2.236455      4.077370      6.639318
  N      -3.352889      3.868315      5.710612
  H      -0.805572     -0.166812      5.003314
  H      -2.000155     -0.874196      6.095077
  H      -0.762495      1.931906      6.135526
  H      -0.667062      0.698839      7.421852
  H      -2.294115      5.088186      7.083659
  H      -1.264590      4.034609      6.107411
  H      -3.128583      3.314120      8.432217
  H      -1.360323      3.078285      8.374337
  H      -5.202988      0.369652      8.818500
  H      -4.800543      2.089705      8.933634
  H      -3.103140     -0.204678      7.814434
  H      -2.678475      0.868775      9.178173
  C      -2.997901     -0.310074      3.612308
  C      -1.971257     -0.106723      2.482320
  C      -2.354652      0.989737      1.506539
  O      -3.445385      0.445828      0.723461
  C      -4.045826      1.084975     -0.302810
  C      -5.033683      0.345609     -0.949502
  C      -5.752956      0.903106     -2.012065
  N      -5.577460      2.133922     -2.481747
  C      -4.614692      2.876924     -1.869875
  C      -4.403086      4.203621     -2.322011
  C      -3.427773      4.979502     -1.734905
  C      -2.655859      4.420845     -0.694549
  N      -2.819313      3.192717     -0.225196
  C      -3.788792      2.413173     -0.781826
  C      -3.690529      5.148134      5.079371
  C      -4.741654      5.079905      3.984550
  C      -4.149071      4.551595      2.685725
  O      -5.145390      3.924522      1.868146
  C      -5.924811      4.667943      1.057526
  C      -5.780044      6.020456      0.777176
  C      -6.630405      6.601185     -0.183154
  N      -7.574605      5.961191     -0.863524
  C      -7.747223      4.637301     -0.571307
  C      -8.739460      3.887106     -1.248657
  C      -8.916351      2.554627     -0.927799
  C      -8.124363      1.979639      0.082927
  N      -7.177117      2.642113      0.742414
  C      -6.970775      3.944582      0.406475
  C      -6.654551      1.442717      6.916880
  C      -7.252219      2.777522      7.422048
  C      -8.384068      3.267229      6.539226
  O      -7.795481      3.711568      5.289518
  C      -8.638151      3.840973      4.217951
  C      -8.764627      5.085058      3.612320
  C      -9.604059      5.227952      2.495941
  N     -10.323222      4.241563      1.964477
  C     -10.178721      3.004905      2.520323
  C     -10.875895      1.908510      1.954512
  C     -10.690212      0.637988      2.479828
  C      -9.792779      0.468366      3.546468
  N      -9.121718      1.467381      4.127372
  C      -9.321646      2.728588      3.641530
  H      -2.951775     -1.362044      3.957479
  H      -4.007561     -0.154431      3.210016
  H      -0.985118      0.136284      2.908954
  H      -1.845330     -1.042952      1.914708
  H      -1.525197      1.261853      0.841103
  H      -2.690603      1.899949      2.022171
  H      -5.245758     -0.666421     -0.603037
  H      -6.526311      0.302975     -2.502495
  H      -5.038804      4.574634     -3.127188
  H      -3.248520      6.006282     -2.056976
  H      -1.867035      5.016354     -0.222182
  H      -2.764766      5.604096      4.666635
  H      -4.035169      5.840962      5.871498
  H      -5.172897      6.080833      3.833079
  H      -5.558299      4.417195      4.304297
  H      -3.432448      3.747990      2.897565
  H      -3.620092      5.332676      2.117583
  H      -5.019700      6.631791      1.260780
  H      -6.509823      7.665479     -0.412477
  H      -9.344272      4.389218     -2.004801
  H      -9.672461      1.948926     -1.428850
  H      -8.280952      0.938476      0.377706
  H      -7.070550      0.603290      7.506202
  H      -6.975711      1.297521      5.879394
  H      -6.460519      3.545084      7.422903
  H      -7.620212      2.691023      8.456024
  H      -8.905789      4.126966      6.993746
  H      -9.111466      2.466731      6.338735
  H      -8.221406      5.939867      4.016812
  H      -9.700490      6.208336      2.018744
  H     -11.536180      2.100530      1.107824
  H     -11.208279     -0.227560      2.064004
  H      -9.605544     -0.532334      3.949007
  N      -5.182703      1.878448      4.153095
  N      -6.020692      1.451101      3.242896
  H      -6.139050      2.009884      2.368669
  H      -6.914304      1.103757      3.615912
102
Coordinates from ORCA-job orca E -6484.888446339503
  N      -2.798322      0.575620      4.751232
  Mo     -4.015224      1.988217      5.496033
  N      -5.202771      1.391212      6.961885
  C      -4.667495      1.186568      8.300501
  C      -3.197652      0.815774      8.194064
  N      -2.541726      1.714757      7.214370
  C      -1.322319      1.117180      6.622564
  C      -1.714848      0.076701      5.591742
  C      -2.288403      3.062562      7.771962
  C      -2.237003      4.076832      6.643917
  N      -3.354120      3.873329      5.714623
  H      -0.819952     -0.166576      4.989574
  H      -2.015216     -0.874647      6.080100
  H      -0.770029      1.928231      6.127914
  H      -0.675293      0.690784      7.410239
  H      -2.293376      5.085738      7.092804
  H      -1.265194      4.035491      6.111684
  H      -3.129595      3.308778      8.434008
  H      -1.361784      3.069051      8.374422
  H      -5.210240      0.369202      8.812382
  H      -4.803090      2.087862      8.933106
  H      -3.112647     -0.207379      7.803995
  H      -2.684004      0.860301      9.170994
  C      -3.017568     -0.298788      3.601330
  C      -1.991676     -0.099213      2.469905
  C      -2.370911      0.999165      1.493916
  O      -3.463664      0.462013      0.708919
  C      -4.055938      1.106367     -0.318607
  C      -5.041794      0.373391     -0.975694
  C      -5.748066      0.936725     -2.044388
  N      -5.559205      2.166212     -2.512219
  C      -4.596368      2.901852     -1.891772
  C      -4.370867      4.227020     -2.341626
  C      -3.396239      4.995862     -1.744440
  C      -2.638113      4.431523     -0.696800
  N      -2.814521      3.204604     -0.229710
  C      -3.784994      2.432557     -0.795307
  C      -3.689460      5.154904      5.087339
  C      -4.735037      5.084043      3.988944
  C      -4.136581      4.549306      2.696002
  O      -5.129361      3.912264      1.883502
  C      -5.912600      4.647940      1.070350
  C      -5.770040      5.997810      0.776907
  C      -6.620655      6.567090     -0.189986
  N      -7.562843      5.918010     -0.864941
  C      -7.733880      4.597096     -0.558199
  C      -8.722773      3.836985     -1.229284
  C      -8.895846      2.507368     -0.894619
  C      -8.105172      1.946072      0.124514
  N      -7.161085      2.617550      0.778690
  C      -6.957534      3.916514      0.428279
  C      -6.660374      1.450766      6.915835
  C      -7.254621      2.786184      7.422158
  C      -8.383616      3.277472      6.538087
  O      -7.792959      3.717113      5.288084
  C      -8.637374      3.842814      4.218190
  C      -8.767653      5.085023      3.609721
  C      -9.613600      5.224071      2.497838
  N     -10.335243      4.235339      1.973452
  C     -10.187032      3.000555      2.532437
  C     -10.888390      1.902268      1.975514
  C     -10.698256      0.633356      2.503371
  C      -9.792326      0.467092      3.563436
  N      -9.116686      1.468175      4.135963
  C      -9.322109      2.727901      3.648509
  H      -2.977179     -1.351886      3.943854
  H      -4.026977     -0.135875      3.201484
  H      -1.003893      0.139544      2.895188
  H      -1.870373     -1.036047      1.902338
  H      -1.539828      1.267805      0.829258
  H      -2.702776      1.910984      2.009664
  H      -5.263180     -0.637660     -0.632353
  H      -6.524072      0.344308     -2.540093
  H      -4.996846      4.602741     -3.152298
  H      -3.207225      6.021743     -2.063251
  H      -1.849215      5.021124     -0.217223
  H      -2.762850      5.613337      4.679367
  H      -4.039003      5.845223      5.879668
  H      -5.165672      6.084404      3.831411
  H      -5.553175      4.422480      4.307519
  H      -3.418358      3.749171      2.914696
  H      -3.609258      5.328140      2.122982
  H      -5.009536      6.614648      1.253421
  H      -6.501068      7.628838     -0.431323
  H      -9.326812      4.328892     -1.992739
  H      -9.646802      1.892322     -1.391945
  H      -8.258299      0.907306      0.429032
  H      -7.076651      0.611478      7.505000
  H      -6.983109      1.307053      5.878498
  H      -6.460929      3.551687      7.425195
  H      -7.625092      2.699801      8.455251
  H      -8.903585      4.139210      6.990886
  H      -9.112862      2.478255      6.338337
  H      -8.222920      5.941358      4.009583
  H      -9.714057      6.203078      2.018799
  H     -11.554631      2.091212      1.132840
  H     -11.219422     -0.233478      2.094192
  H      -9.599902     -0.532594      3.965987
  N      -5.192680      1.894443      4.153289
  N      -6.035365      1.469473      3.244227
  H      -6.154779      2.027637      2.370545
  H      -6.930302      1.126591      3.620406
102
Coordinates from ORCA-job orca E -6484.888502056041
  N      -2.791059      0.575052      4.755516
  Mo     -4.015818      1.980185      5.499864
  N      -5.200771      1.380771      6.967120
  C      -4.663849      1.179624      8.305649
  C      -3.192788      0.814227      8.198685
  N      -2.541100      1.715310      7.218037
  C      -1.318325      1.122981      6.627410
  C      -1.705731      0.080978      5.596628
  C      -2.293873      3.064945      7.774043
  C      -2.246408      4.077870      6.644503
  N      -3.362338      3.868662      5.714954
  H      -0.809777     -0.158908      4.994787
  H      -2.002712     -0.871330      6.085080
  H      -0.768851      1.936360      6.133494
  H      -0.670496      0.699358      7.415858
  H      -2.306355      5.087394      7.091330
  H      -1.274365      4.038748      6.112541
  H      -3.135953      3.307993      8.436091
  H      -1.367202      3.076035      8.376324
  H      -5.203334      0.360954      8.818826
  H      -4.802208      2.081159      8.937197
  H      -3.104469     -0.208772      7.808984
  H      -2.678557      0.861351      9.175131
  C      -3.003604     -0.299067      3.604100
  C      -1.977834     -0.090396      2.474215
  C      -2.365190      1.005905      1.499336
  O      -3.453596      0.460221      0.714346
  C      -4.054038      1.100321     -0.311552
  C      -5.034273      0.357799     -0.966461
  C      -5.748452      0.914110     -2.033150
  N      -5.574585      2.146380     -2.499771
  C      -4.617705      2.891495     -1.881403
  C      -4.406464      4.218900     -2.331737
  C      -3.435789      4.996542     -1.739123
  C      -2.668915      4.439456     -0.694172
  N      -2.832841      3.210989     -0.225657
  C      -3.797651      2.429530     -0.788086
  C      -3.702836      5.148541      5.086168
  C      -4.746662      5.074188      3.985571
  C      -4.145421      4.539031      2.693907
  O      -5.136440      3.905407      1.876093
  C      -5.918235      4.644506      1.063892
  C      -5.775271      5.995625      0.776286
  C      -6.624807      6.569291     -0.188962
  N      -7.566197      5.923427     -0.867945
  C      -7.736907      4.600875     -0.568414
  C      -8.726037      3.844305     -1.243224
  C      -8.900465      2.513292     -0.914689
  C      -8.109585      1.946488      0.101373
  N      -7.165818      2.615190      0.759172
  C      -6.961549      3.915839      0.415535
  C      -6.658757      1.439472      6.923186
  C      -7.252651      2.776118      7.427613
  C      -8.375622      3.272435      6.538061
  O      -7.776988      3.710114      5.291183
  C      -8.615903      3.846269      4.217702
  C      -8.730330      5.090456      3.609854
  C      -9.569138      5.239122      2.493738
  N     -10.299601      4.258930      1.965890
  C     -10.167218      3.022154      2.524324
  C     -10.876290      1.931533      1.962198
  C     -10.700077      0.659743      2.487929
  C      -9.800093      0.482816      3.551217
  N      -9.117722      1.476454      4.128560
  C      -9.309400      2.739236      3.643257
  H      -2.956983     -1.352459      3.944786
  H      -4.013536     -0.141694      3.203329
  H      -0.992506      0.155857      2.900903
  H      -1.848365     -1.025653      1.905864
  H      -1.536313      1.281742      0.834875
  H      -2.704639      1.914547      2.015641
  H      -5.244432     -0.655639     -0.622880
  H      -6.516600      0.311932     -2.529157
  H      -5.038456      4.589015     -3.140283
  H      -3.256682      6.023588     -2.060543
  H      -1.883712      5.036345     -0.217517
  H      -2.777389      5.610876      4.680138
  H      -4.057106      5.837121      5.877822
  H      -5.178907      6.073527      3.826628
  H      -5.564120      4.411451      4.303654
  H      -3.429706      3.737418      2.915918
  H      -3.613949      5.316928      2.123530
  H      -5.015950      6.610835      1.256657
  H      -6.504893      7.632229     -0.424861
  H      -9.330347      4.340374     -2.003747
  H      -9.654685      1.903168     -1.413282
  H      -8.264009      0.906795      0.402107
  H      -7.073692      0.601168      7.514695
  H      -6.982700      1.293435      5.886611
  H      -6.456928      3.539396      7.436108
  H      -7.628874      2.689118      8.458581
  H      -8.894189      4.136047      6.988919
  H      -9.107192      2.476346      6.334487
  H      -8.178001      5.940519      4.012271
  H      -9.655266      6.218879      2.013244
  H     -11.536722      2.128396      1.116782
  H     -11.226668     -0.201481      2.073956
  H      -9.618260     -0.519426      3.952316
  N      -5.194302      1.879659      4.158908
  N      -6.037165      1.453572      3.252413
  H      -6.150444      2.005545      2.373179
  H      -6.935025      1.119236      3.628936
102
Coordinates from ORCA-job orca E -6484.888486716379
  N      -2.789943      0.569618      4.757997
  Mo     -4.012753      1.979249      5.497457
  N      -5.198396      1.387128      6.966683
  C      -4.662030      1.189927      8.305965
  C      -3.191420      0.822907      8.200669
  N      -2.538140      1.718628      7.215955
  C      -1.316175      1.121583      6.628436
  C      -1.705719      0.076255      5.601426
  C      -2.288432      3.070133      7.766891
  C      -2.239568      4.078589      6.633432
  N      -3.355731      3.867220      5.704828
  H      -0.810376     -0.168231      5.000469
  H      -2.004285     -0.873697      6.093494
  H      -0.765670      1.932393      6.131296
  H      -0.668989      0.700190      7.418500
  H      -2.298540      5.089888      7.076417
  H      -1.267766      4.036208      6.101406
  H      -3.130016      3.317758      8.427857
  H      -1.361790      3.081619      8.369129
  H      -5.202303      0.373281      8.821525
  H      -4.800346      2.093625      8.934455
  H      -3.104360     -0.201926      7.815570
  H      -2.676908      0.873726      9.176762
  C      -3.000930     -0.306207      3.607245
  C      -1.969836     -0.101232      2.481372
  C      -2.351854      0.993454      1.503069
  O      -3.438984      0.447819      0.715638
  C      -4.039466      1.089720     -0.308970
  C      -5.023538      0.350142     -0.961222
  C      -5.740296      0.909650     -2.024698
  N      -5.565058      2.141756     -2.490413
  C      -4.605341      2.884599     -1.873690
  C      -4.394170      4.212558     -2.321995
  C      -3.421748      4.988240     -1.730195
  C      -2.652989      4.428420     -0.687886
  N      -2.816701      3.199289     -0.221517
  C      -3.782851      2.419502     -0.783648
  C      -3.696981      5.146288      5.074022
  C      -4.739278      5.072115      3.971718
  C      -4.139237      4.532055      2.681221
  O      -5.133836      3.904609      1.861921
  C      -5.912253      4.649981      1.052310
  C      -5.758763      6.000104      0.764598
  C      -6.608456      6.582092     -0.195497
  N      -7.560701      5.945873     -0.868163
  C      -7.742467      4.624942     -0.567533
  C      -8.744588      3.879057     -1.234937
  C      -8.929511      2.549457     -0.906423
  C      -8.135224      1.973325      0.101473
  N      -7.178994      2.631767      0.751907
  C      -6.965998      3.931364      0.409477
  C      -6.656490      1.442901      6.921466
  C      -7.254701      2.777858      7.425578
  C      -8.385091      3.267984      6.541647
  O      -7.797710      3.714190      5.292528
  C      -8.644799      3.845674      4.224412
  C      -8.781898      5.093406      3.628416
  C      -9.629134      5.239250      2.518486
  N     -10.345609      4.252051      1.984196
  C     -10.189634      3.012193      2.529946
  C     -10.882598      1.915337      1.959927
  C     -10.683183      0.641475      2.473069
  C      -9.777006      0.469815      3.531415
  N      -9.109650      1.469292      4.116547
  C      -9.323588      2.733309      3.643585
  H      -2.958095     -1.359221      3.949318
  H      -4.009312     -0.147147      3.202943
  H      -0.986701      0.145626      2.912674
  H      -1.838105     -1.037773      1.915605
  H      -1.520733      1.267437      0.840799
  H      -2.691840      1.903070      2.017170
  H      -5.234996     -0.663184     -0.618287
  H      -6.511746      0.310170     -2.518952
  H      -5.027770      4.584895     -3.128230
  H      -3.242451      6.015815     -2.049794
  H      -1.866577      5.023657     -0.211182
  H      -2.771396      5.609339      4.669048
  H      -4.052616      5.835029      5.864921
  H      -5.167966      6.072436      3.809235
  H      -5.559163      4.413310      4.290932
  H      -3.429205      3.725685      2.904348
  H      -3.601633      5.306013      2.111166
  H      -4.991661      6.608371      1.241363
  H      -6.480176      7.644089     -0.431335
  H      -9.350002      4.381840     -1.990141
  H      -9.693196      1.947102     -1.399967
  H      -8.296814      0.934400      0.401221
  H      -7.070024      0.604684      7.514116
  H      -6.979709      1.294271      5.885189
  H      -6.462919      3.545290      7.430476
  H      -7.626461      2.689494      8.458059
  H      -8.908066      4.126480      6.997140
  H      -9.111912      2.466911      6.340570
  H      -8.242134      5.948868      4.036483
  H      -9.734997      6.222508      2.049385
  H     -11.549461      2.109017      1.118851
  H     -11.196783     -0.224366      2.052430
  H      -9.576898     -0.532938      3.922456
  N      -5.191715      1.877536      4.156013
  N      -6.035719      1.451675      3.250341
  H      -6.148506      2.002020      2.369614
  H      -6.933760      1.118751      3.628402
102
Coordinates from ORCA-job orca E -6484.888494814909
  N      -2.788360      0.566850      4.757489
  Mo     -4.009725      1.978793      5.494092
  N      -5.197191      1.391762      6.963846
  C      -4.661290      1.196884      8.303955
  C      -3.190985      0.826981      8.199876
  N      -2.536150      1.719825      7.213678
  C      -1.315213      1.119113      6.627320
  C      -1.706111      0.072768      5.602296
  C      -2.283706      3.071914      7.761690
  C      -2.233637      4.077740      6.625909
  N      -3.351301      3.866947      5.698624
  H      -0.810745     -0.174377      5.002497
  H      -2.007529     -0.875510      6.095872
  H      -0.762071      1.927362      6.129114
  H      -0.669739      0.697494      7.418774
  H      -2.289521      5.090065      7.066568
  H      -1.262253      4.031381      6.093464
  H      -3.124481      3.321860      8.422826
  H      -1.356645      3.082869      8.363350
  H      -5.202835      0.382153      8.821158
  H      -4.798277      2.102077      8.930438
  H      -3.105414     -0.198663      7.816610
  H      -2.676921      0.878644      9.176174
  C      -3.004064     -0.310246      3.609171
  C      -1.974967     -0.114360      2.479788
  C      -2.352429      0.982351      1.501490
  O      -3.451851      0.448732      0.723347
  C      -4.051982      1.096863     -0.297551
  C      -5.056611      0.373210     -0.936608
  C      -5.774448      0.942032     -1.994350
  N      -5.582272      2.169564     -2.466309
  C      -4.603769      2.897353     -1.861429
  C      -4.374480      4.220631     -2.315328
  C      -3.383758      4.981601     -1.734506
  C      -2.614161      4.411625     -0.698537
  N      -2.793946      3.186503     -0.227621
  C      -3.778387      2.421335     -0.778415
  C      -3.702496      5.148136      5.077754
  C      -4.745200      5.073629      3.976130
  C      -4.143491      4.543758      2.682344
  O      -5.134074      3.912129      1.862505
  C      -5.923729      4.655784      1.062256
  C      -5.784942      6.009275      0.783867
  C      -6.642910      6.589310     -0.170026
  N      -7.589793      5.947762     -0.845480
  C      -7.757077      4.622867     -0.553952
  C      -8.752216      3.870855     -1.224940
  C      -8.922648      2.537219     -0.905016
  C      -8.121347      1.963038      0.098705
  N      -7.171363      2.626988      0.752168
  C      -6.971735      3.930826      0.417227
  C      -6.655360      1.447036      6.918052
  C      -7.254675      2.783576      7.416932
  C      -8.382914      3.270990      6.528561
  O      -7.792687      3.712829      5.279278
  C      -8.637933      3.842176      4.209500
  C      -8.773497      5.087717      3.608602
  C      -9.619403      5.229402      2.497150
  N     -10.336079      4.240564      1.966169
  C     -10.181541      3.002774      2.516493
  C     -10.874617      1.903932      1.950327
  C     -10.676746      0.632178      2.468933
  C      -9.771544      0.464021      3.529005
  N      -9.104040      1.465701      4.110403
  C      -9.316670      2.727705      3.632044
  H      -2.966920     -1.362655      3.953938
  H      -4.012069     -0.145836      3.206224
  H      -0.988371      0.125995      2.906865
  H      -1.851977     -1.052760      1.915280
  H      -1.523155      1.245139      0.832275
  H      -2.678230      1.897134      2.015212
  H      -5.282268     -0.635241     -0.588269
  H      -6.560712      0.353933     -2.478802
  H      -5.009647      4.601727     -3.116219
  H      -3.191255      6.005535     -2.057839
  H      -1.813514      4.995107     -0.231117
  H      -2.781006      5.621611      4.676054
  H      -4.063991      5.827782      5.873985
  H      -5.180124      6.072348      3.820226
  H      -5.561077      4.408193      4.292407
  H      -3.427612      3.741656      2.901517
  H      -3.612897      5.324176      2.114290
  H      -5.022677      6.621923      1.262822
  H      -6.526084      7.654177     -0.398488
  H      -9.364248      4.372346     -1.975659
  H      -9.681145      1.930696     -1.401389
  H      -8.271906      0.920836      0.392620
  H      -7.067956      0.610365      7.513427
  H      -6.978199      1.294635      5.882166
  H      -6.462761      3.550797      7.422050
  H      -7.629228      2.698055      8.448666
  H      -8.906572      4.131020      6.980392
  H      -9.109763      2.469613      6.328641
  H      -8.232909      5.944125      4.013552
  H      -9.724439      6.210723      2.023748
  H     -11.540501      2.094552      1.107784
  H     -11.190413     -0.235129      2.051394
  H      -9.572626     -0.537138      3.924607
  N      -5.186604      1.876712      4.151508
  N      -6.030284      1.452350      3.245183
  H      -6.141071      2.003289      2.364686
  H      -6.929852      1.120610      3.621911
102
Coordinates from ORCA-job orca E -6484.888526766383
  N      -2.792132      0.577727      4.753156
  Mo     -4.016849      1.981086      5.499119
  N      -5.201594      1.383458      6.967083
  C      -4.664085      1.182594      8.305612
  C      -3.193424      0.815687      8.198047
  N      -2.541646      1.715726      7.216578
  C      -1.319482      1.121971      6.625769
  C      -1.708156      0.081069      5.594508
  C      -2.292909      3.065251      7.772025
  C      -2.245046      4.077753      6.642155
  N      -3.361216      3.869130      5.712556
  H      -0.812420     -0.160162      4.992960
  H      -2.007499     -0.870727      6.082387
  H      -0.768595      1.934639      6.132321
  H      -0.672701      0.696990      7.414339
  H      -2.304404      5.087312      7.088779
  H      -1.272996      4.037980      6.110228
  H      -3.134544      3.308963      8.434406
  H      -1.365940      3.075650      8.373861
  H      -5.204031      0.364550      8.819212
  H      -4.801531      2.084520      8.936732
  H      -3.106278     -0.207568      7.808703
  H      -2.678625      0.862761      9.174196
  C      -3.005283     -0.294305      3.600260
  C      -1.976723     -0.087831      2.472309
  C      -2.361777      1.006207      1.493996
  O      -3.448999      0.459960      0.708043
  C      -4.050701      1.101415     -0.316439
  C      -5.033036      0.360515     -0.970210
  C      -5.747089      0.917833     -2.036426
  N      -5.571827      2.149911     -2.503302
  C      -4.613383      2.893552     -1.885732
  C      -4.400805      4.220909     -2.335891
  C      -3.428107      4.996973     -1.744337
  C      -2.660127      4.438377     -0.701112
  N      -2.825281      3.209988     -0.232734
  C      -3.792518      2.430182     -0.793566
  C      -3.707438      5.150747      5.090551
  C      -4.743540      5.074727      3.983412
  C      -4.134819      4.538203      2.695979
  O      -5.121202      3.903045      1.874377
  C      -5.908279      4.643238      1.068092
  C      -5.767575      5.994867      0.781841
  C      -6.621544      6.569102     -0.179150
  N      -7.565404      5.923329     -0.855010
  C      -7.734249      4.600418     -0.556008
  C      -8.725503      3.843668     -1.227529
  C      -8.896862      2.511910     -0.900241
  C      -8.101049      1.944687      0.111687
  N      -7.155632      2.613503      0.766824
  C      -6.954165      3.914919      0.423990
  C      -6.659779      1.439456      6.924267
  C      -7.255591      2.777700      7.422568
  C      -8.374948      3.271619      6.527540
  O      -7.773796      3.701749      5.279635
  C      -8.615402      3.839557      4.208279
  C      -8.729977      5.083263      3.599355
  C      -9.574227      5.231872      2.487452
  N     -10.310690      4.252587      1.965789
  C     -10.178361      3.016369      2.525308
  C     -10.894767      1.926643      1.970723
  C     -10.719282      0.655392      2.498416
  C      -9.811558      0.477479      3.554784
  N      -9.121356      1.470506      4.124565
  C      -9.313669      2.733069      3.638823
  H      -2.963130     -1.348216      3.939931
  H      -4.013910     -0.132645      3.198112
  H      -0.992794      0.160705      2.900885
  H      -1.844672     -1.024484      1.906903
  H      -1.531329      1.279514      0.830397
  H      -2.701203      1.916675      2.007048
  H      -5.245032     -0.652305     -0.625832
  H      -6.516884      0.316775     -2.531239
  H      -5.033546      4.592518     -3.143181
  H      -3.248413      6.023938     -2.065599
  H      -1.873023      5.033838     -0.225802
  H      -2.783245      5.623500      4.694295
  H      -4.073619      5.830449      5.884577
  H      -5.175977      6.073491      3.821502
  H      -5.562363      4.411516      4.297183
  H      -3.421022      3.736653      2.923928
  H      -3.600006      5.315026      2.127086
  H      -5.006318      6.610011      1.259246
  H      -6.502929      7.632277     -0.414581
  H      -9.333697      4.340067     -1.984749
  H      -9.652920      1.902144     -1.396469
  H      -8.252054      0.904128      0.411029
  H      -7.071783      0.603325      7.520743
  H      -6.984655      1.287164      5.888897
  H      -6.459687      3.540658      7.433799
  H      -7.637294      2.692772      8.451724
  H      -8.893413      4.137909      6.973532
  H      -9.107495      2.475538      6.326650
  H      -8.173362      5.932494      3.997633
  H      -9.660838      6.210876      2.005572
  H     -11.560526      2.123541      1.129493
  H     -11.251301     -0.205041      2.089787
  H      -9.628835     -0.524531      3.955926
  N      -5.197039      1.883064      4.160019
  N      -6.045354      1.461966      3.256500
  H      -6.150637      2.008624      2.372835
  H      -6.949288      1.145101      3.635713
102
Coordinates from ORCA-job orca E -6484.888551334761
  N      -2.790555      0.579227      4.755053
  Mo     -4.017161      1.980922      5.501370
  N      -5.200349      1.381415      6.969500
  C      -4.662272      1.180940      8.307808
  C      -3.190888      0.817453      8.199985
  N      -2.540832      1.718395      7.218053
  C      -1.317697      1.126960      6.627228
  C      -1.705040      0.084785      5.596285
  C      -2.294870      3.068639      7.773339
  C      -2.249163      4.081252      6.643502
  N      -3.364032      3.869681      5.713194
  H      -0.809268     -0.155265      4.994317
  H      -2.001937     -0.867509      6.084656
  H      -0.769403      1.940966      6.132944
  H      -0.669199      0.703938      7.415353
  H      -2.312251      5.090507      7.090514
  H      -1.276808      4.045001      6.111967
  H      -3.137133      3.311345      8.435284
  H      -1.368134      3.080971      8.375424
  H      -5.200435      0.361449      8.820953
  H      -4.801956      2.082284      8.939323
  H      -3.101645     -0.205781      7.811077
  H      -2.675841      0.865988      9.175920
  C      -3.001872     -0.294342      3.602529
  C      -1.972703     -0.086392      2.475367
  C      -2.359681      1.004884      1.495025
  O      -3.445991      0.454555      0.710256
  C      -4.051202      1.093830     -0.313410
  C      -5.036826      0.351963     -0.960823
  C      -5.757356      0.908368     -2.023314
  N      -5.584186      2.139464     -2.492828
  C      -4.621610      2.883610     -1.882267
  C      -4.411023      4.209947     -2.335893
  C      -3.434554      4.986292     -1.751445
  C      -2.660846      4.428805     -0.711627
  N      -2.824000      3.201483     -0.240184
  C      -3.794901      2.421489     -0.794067
  C      -3.709897      5.150041      5.087955
  C      -4.742532      5.072763      3.977601
  C      -4.131596      4.533003      2.692360
  O      -5.118169      3.900120      1.868339
  C      -5.901864      4.642786      1.061020
  C      -5.754048      5.993316      0.772418
  C      -6.606430      6.570768     -0.187981
  N      -7.555406      5.929462     -0.860826
  C      -7.731248      4.607978     -0.559431
  C      -8.728786      3.856249     -1.227258
  C      -8.907335      2.525982     -0.897420
  C      -8.112205      1.955416      0.112886
  N      -7.160475      2.619466      0.764136
  C      -6.952665      3.919331      0.419447
  C      -6.658766      1.434053      6.926420
  C      -7.258756      2.769476      7.427641
  C      -8.379899      3.262962      6.534361
  O      -7.781205      3.702511      5.288647
  C      -8.623874      3.843168      4.218014
  C      -8.749285      5.092338      3.622303
  C      -9.593637      5.245570      2.511238
  N     -10.319629      4.264989      1.977222
  C     -10.175957      3.023898      2.523340
  C     -10.880600      1.933636      1.955074
  C     -10.693695      0.658081      2.469046
  C      -9.785982      0.477274      3.524421
  N      -9.106609      1.470485      4.106977
  C      -9.310961      2.736745      3.635707
  H      -2.957815     -1.347918      3.942776
  H      -4.010921     -0.135340      3.200101
  H      -0.990271      0.165894      2.905143
  H      -1.837058     -1.023377      1.911334
  H      -1.529877      1.279120      0.831075
  H      -2.700958      1.915325      2.006937
  H      -5.247210     -0.660294     -0.613997
  H      -6.531073      0.307800     -2.512595
  H      -5.048281      4.580493     -3.140093
  H      -3.255777      6.012609     -2.075287
  H      -1.870547      5.024309     -0.241714
  H      -2.784840      5.622896      4.693659
  H      -4.078280      5.830805      5.880028
  H      -5.172703      6.071837      3.811598
  H      -5.563231      4.411828      4.290724
  H      -3.420685      3.729357      2.922142
  H      -3.592738      5.307706      2.124405
  H      -4.988787      6.604948      1.247893
  H      -6.482588      7.632985     -0.425151
  H      -9.335887      4.355100     -1.983715
  H      -9.667595      1.919284     -1.390971
  H      -8.268636      0.916053      0.413800
  H      -7.068846      0.596081      7.521596
  H      -6.983134      1.282351      5.890922
  H      -6.465179      3.534847      7.441859
  H      -7.641002      2.680198      8.456220
  H      -8.902367      4.124627      6.984607
  H      -9.108953      2.464606      6.329785
  H      -8.202041      5.942653      4.031098
  H      -9.688893      6.229165      2.040529
  H     -11.546731      2.133364      1.114827
  H     -11.217089     -0.202664      2.050056
  H      -9.593342     -0.527440      3.913997
  N      -5.198746      1.881961      4.163272
  N      -6.048707      1.460719      3.261103
  H      -6.153243      2.004714      2.375265
  H      -6.952850      1.146720      3.642151
102
Coordinates from ORCA-job orca E -6484.888554822654
  N      -2.788033      0.568698      4.756056
  Mo     -4.012900      1.975547      5.494864
  N      -5.198373      1.387097      6.965395
  C      -4.661236      1.192879      8.305161
  C      -3.190714      0.825096      8.200136
  N      -2.537998      1.718941      7.213536
  C      -1.315915      1.120582      6.627030
  C      -1.705396      0.074652      5.600931
  C      -2.288148      3.071505      7.761624
  C      -2.240319      4.077790      6.626136
  N      -3.356665      3.864416      5.697860
  H      -0.809809     -0.171209      5.001032
  H      -2.006106     -0.874292      6.093496
  H      -0.764215      1.930247      6.129477
  H      -0.669899      0.699392      7.418177
  H      -2.299727      5.089636      7.067465
  H      -1.268570      4.034965      6.094087
  H      -3.129355      3.319846      8.422822
  H      -1.361066      3.084207      8.363176
  H      -5.201460      0.377428      8.822517
  H      -4.799243      2.097933      8.931598
  H      -3.103939     -0.200475      7.816895
  H      -2.675967      0.877674      9.176000
  C      -2.998499     -0.305148      3.603777
  C      -1.963426     -0.104444      2.480494
  C      -2.341418      0.987371      1.497168
  O      -3.428131      0.442412      0.709102
  C      -4.032058      1.088047     -0.311414
  C      -5.023065      0.353710     -0.959337
  C      -5.742242      0.917390     -2.018943
  N      -5.564194      2.149553     -2.484041
  C      -4.598833      2.887674     -1.870641
  C      -4.385299      4.216086     -2.317048
  C      -3.407212      4.987222     -1.728382
  C      -2.634312      4.422254     -0.692058
  N      -2.800129      3.192668     -0.227511
  C      -3.772459      2.417556     -0.785741
  C      -3.712016      5.145552      5.078969
  C      -4.746261      5.068164      3.969892
  C      -4.136512      4.534981      2.681331
  O      -5.122627      3.902659      1.856377
  C      -5.914742      4.648102      1.059859
  C      -5.773780      6.001296      0.780678
  C      -6.634918      6.583360     -0.169074
  N      -7.586618      5.944129     -0.839962
  C      -7.755473      4.619564     -0.548004
  C      -8.755286      3.869799     -1.214571
  C      -8.926669      2.536252     -0.894504
  C      -8.121961      1.960225      0.105188
  N      -7.167709      2.622174      0.754623
  C      -6.967090      3.925743      0.419378
  C      -6.656692      1.442444      6.922387
  C      -7.253773      2.781707      7.417215
  C      -8.377176      3.272201      6.524685
  O      -7.783443      3.706363      5.274724
  C      -8.632407      3.843989      4.208303
  C      -8.764769      5.091989      3.611578
  C      -9.616934      5.241114      2.506012
  N     -10.343727      4.257686      1.978173
  C     -10.192686      3.017647      2.524571
  C     -10.897740      1.924391      1.962547
  C     -10.703853      0.650126      2.477415
  C      -9.789003      0.473642      3.527294
  N      -9.109293      1.470024      4.104346
  C      -9.320110      2.734850      3.632130
  H      -2.961895     -1.358469      3.945576
  H      -4.004961     -0.140612      3.197040
  H      -0.981952      0.144737      2.914234
  H      -1.828950     -1.043087      1.919035
  H      -1.508160      1.256531      0.835542
  H      -2.679820      1.900074      2.006575
  H      -5.237394     -0.659030     -0.616377
  H      -6.517869      0.321108     -2.510547
  H      -5.021890      4.592716     -3.118920
  H      -3.226818      6.015121     -2.046206
  H      -1.843007      5.013610     -0.218652
  H      -2.790762      5.626623      4.686062
  H      -4.084373      5.819579      5.875009
  H      -5.180080      6.066467      3.808478
  H      -5.564290      4.403655      4.282416
  H      -3.423238      3.732308      2.906876
  H      -3.600923      5.313450      2.115136
  H      -5.007556      6.612058      1.255713
  H      -6.516587      7.647935     -0.398212
  H      -9.369884      4.372709     -1.962222
  H      -9.688690      1.931478     -1.387537
  H      -8.272697      0.918003      0.398994
  H      -7.067895      0.608490      7.522378
  H      -6.981919      1.285480      5.888028
  H      -6.459175      3.546057      7.425640
  H      -7.633542      2.698171      8.447202
  H      -8.897759      4.135887      6.973207
  H      -9.107643      2.473528      6.326383
  H      -8.217197      5.944469      4.015468
  H      -9.718884      6.223884      2.035009
  H     -11.570032      2.120784      1.126448
  H     -11.227156     -0.212832      2.062868
  H      -9.591241     -0.529715      3.917775
  N      -5.192433      1.874243      4.155016
  N      -6.042551      1.453917      3.253185
  H      -6.145227      1.997418      2.366585
  H      -6.947970      1.140881      3.633742
102
Coordinates from ORCA-job orca E -6484.888576121483
  N      -2.787933      0.575699      4.755437
  Mo     -4.015465      1.977563      5.498743
  N      -5.199555      1.382550      6.967755
  C      -4.661814      1.185297      8.306868
  C      -3.190537      0.820734      8.200572
  N      -2.539787      1.718862      7.216575
  C      -1.316584      1.125179      6.627853
  C      -1.703946      0.081437      5.598646
  C      -2.293200      3.070391      7.768479
  C      -2.247268      4.080196      6.636089
  N      -3.362249      3.866824      5.706149
  H      -0.807898     -0.160646      4.997952
  H      -2.002672     -0.869550      6.088391
  H      -0.767026      1.937647      6.132496
  H      -0.669282      0.703096      7.417470
  H      -2.309966      5.090454      7.080668
  H      -1.274943      4.042164      6.104687
  H      -3.135249      3.314938      8.430022
  H      -1.366357      3.083708      8.370393
  H      -5.200505      0.367326      8.821817
  H      -4.801398      2.088269      8.935982
  H      -3.101627     -0.203547      7.814365
  H      -2.675900      0.871533      9.176598
  C      -2.997671     -0.297099      3.602063
  C      -1.964777     -0.091573      2.477635
  C      -2.348197      0.998353      1.494329
  O      -3.433465      0.448602      0.707865
  C      -4.040843      1.090670     -0.312858
  C      -5.031934      0.352770     -0.956530
  C      -5.754644      0.912242     -2.015896
  N      -5.579264      2.143143     -2.485338
  C      -4.612481      2.883962     -1.877440
  C      -4.399783      4.210254     -2.330419
  C      -3.419093      4.983330     -1.748643
  C      -2.642869      4.422499     -0.712571
  N      -2.807744      3.195095     -0.241926
  C      -3.782900      2.418341     -0.792955
  C      -3.715632      5.147908      5.086286
  C      -4.744911      5.069515      3.973021
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  O      -5.113456      3.899861      1.860790
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  C      -6.619967      6.577496     -0.173063
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  C      -6.658098      1.435493      6.925035
  C      -7.257503      2.773528      7.420516
  C      -8.377666      3.265319      6.524822
  O      -7.779363      3.699272      5.277072
  C      -8.625708      3.841389      4.209045
  C      -8.753916      5.090805      3.614344
  C      -9.603205      5.243903      2.507102
  N     -10.331760      4.263240      1.976426
  C     -10.185459      3.022011      2.521439
  C     -10.893646      1.931749      1.957574
  C     -10.705121      0.656326      2.471684
  C      -9.791240      0.475329      3.521558
  N      -9.107979      1.468732      4.099707
  C      -9.314920      2.734951      3.629505
  H      -2.957563     -1.350807      3.942301
  H      -4.005201     -0.135065      3.197042
  H      -0.983872      0.161932      2.910156
  H      -1.826888     -1.029605      1.915977
  H      -1.516453      1.270152      0.831785
  H      -2.689255      1.910227      2.003600
  H      -5.244021     -0.659204     -0.609919
  H      -6.531225      0.313808     -2.503293
  H      -5.038811      4.583525     -3.131940
  H      -3.238988      6.009583     -2.071929
  H      -1.849101      5.015270     -0.245082
  H      -2.792959      5.629481      4.697364
  H      -4.091772      5.821620      5.880816
  H      -5.177115      6.067911      3.808058
  H      -5.564859      4.406256      4.283154
  H      -3.418394      3.730502      2.918326
  H      -3.591559      5.310089      2.122597
  H      -4.993694      6.607581      1.253038
  H      -6.499978      7.641265     -0.405123
  H      -9.357067      4.366037     -1.962272
  H      -9.680127      1.926774     -1.380811
  H      -8.266445      0.916061      0.408988
  H      -7.067597      0.600341      7.524456
  H      -6.983131      1.278709      5.890556
  H      -6.463097      3.538023      7.433580
  H      -7.641289      2.687903      8.448850
  H      -8.899127      4.129092      6.972213
  H      -9.108024      2.467172      6.323692
  H      -8.205131      5.941182      4.020988
  H      -9.701156      6.227528      2.037022
  H     -11.564435      2.131287      1.121003
  H     -11.231703     -0.204267      2.056355
  H      -9.596632     -0.529232      3.910479
  N      -5.196075      1.878001      4.160314
  N      -6.048649      1.459767      3.259709
  H      -6.147970      2.000612      2.371072
  H      -6.956232      1.154237      3.641262
102
Coordinates from ORCA-job orca E -6484.888592777626
  N      -2.789150      0.578564      4.754798
  Mo     -4.017736      1.977656      5.500629
  N      -5.200702      1.380169      6.969390
  C      -4.662398      1.181859      8.308154
  C      -3.190975      0.818539      8.201004
  N      -2.541259      1.718207      7.217820
  C      -1.317756      1.126319      6.627910
  C      -1.704672      0.083677      5.597279
  C      -2.296005      3.069411      7.771010
  C      -2.251512      4.080703      6.639846
  N      -3.365854      3.866959      5.709239
  H      -0.808669     -0.157135      4.996075
  H      -2.002865     -0.868065      6.085790
  H      -0.769141      1.939939      6.133368
  H      -0.669795      0.703744      7.416697
  H      -2.316238      5.090128      7.086093
  H      -1.279049      4.045508      6.108497
  H      -3.138187      3.312479      8.432930
  H      -1.369076      3.083173      8.372756
  H      -5.200375      0.362932      8.822287
  H      -4.802573      2.084074      8.938225
  H      -3.101310     -0.205283      7.813712
  H      -2.676126      0.868711      9.176955
  C      -2.998211     -0.292756      3.599956
  C      -1.964835     -0.085491      2.476293
  C      -2.349965      1.001889      1.490790
  O      -3.431427      0.447435      0.702462
  C      -4.042496      1.088734     -0.316653
  C      -5.032481      0.348666     -0.959452
  C      -5.757526      0.906738     -2.018032
  N      -5.585463      2.138198     -2.487165
  C      -4.619111      2.880740     -1.880688
  C      -4.409449      4.207446     -2.333849
  C      -3.428795      4.981927     -1.753941
  C      -2.649382      4.422002     -0.719698
  N      -2.811536      3.194339     -0.248787
  C      -3.787021      2.416453     -0.797577
  C      -3.720218      5.148194      5.090215
  C      -4.744888      5.069014      3.972932
  C      -4.125463      4.532452      2.690526
  O      -5.105694      3.897602      1.860475
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  C      -5.755319      5.993994      0.778878
  C      -6.615935      6.573739     -0.172697
  N      -7.568350      5.933159     -0.841493
  C      -7.738669      4.609840     -0.545171
  C      -8.739080      3.858643     -1.209309
  C      -8.911648      2.526274     -0.884542
  C      -8.107806      1.953156      0.117360
  N      -7.153086      2.616571      0.764749
  C      -6.951174      3.918700      0.424867
  C      -6.659308      1.432666      6.927667
  C      -7.258511      2.771370      7.421637
  C      -8.375297      3.264772      6.522901
  O      -7.773362      3.696238      5.276234
  C      -8.619766      3.842071      4.208476
  C      -8.748609      5.093267      3.617591
  C      -9.598517      5.249281      2.511318
  N     -10.327593      4.269925      1.978620
  C     -10.181179      3.027266      2.520445
  C     -10.890420      1.938563      1.955035
  C     -10.701831      0.661750      2.466197
  C      -9.786001      0.477799      3.513610
  N      -9.100898      1.469633      4.092639
  C      -9.309011      2.737243      3.626471
  H      -2.957872     -1.346812      3.939026
  H      -4.005781     -0.130720      3.195044
  H      -0.985344      0.171851      2.909758
  H      -1.823105     -1.023787      1.916064
  H      -1.517547      1.275528      0.829855
  H      -2.694873      1.913434      1.998198
  H      -5.242247     -0.663696     -0.612578
  H      -6.534027      0.307275     -2.504281
  H      -5.050747      4.579812     -3.133986
  H      -3.250980      6.008561     -2.077239
  H      -1.855269      5.015713     -0.253987
  H      -2.797202      5.632645      4.705807
  H      -4.101297      5.819618      5.884350
  H      -5.176365      6.067351      3.805819
  H      -5.566036      4.405931      4.280286
  H      -3.413848      3.730297      2.923106
  H      -3.585550      5.309316      2.126278
  H      -4.987670      6.605039      1.251225
  H      -6.496298      7.637258     -0.406106
  H      -9.353287      4.359517     -1.958641
  H      -9.674217      1.920123     -1.375091
  H      -8.259138      0.911974      0.414580
  H      -7.068024      0.598243      7.528542
  H      -6.985006      1.274189      5.893667
  H      -6.463105      3.534745      7.437610
  H      -7.645885      2.685961      8.448643
  H      -8.896362      4.129678      6.968625
  H      -9.106693      2.467698      6.320697
  H      -8.199970      5.942659      4.026493
  H      -9.696569      6.234070      2.043753
  H     -11.562238      2.140136      1.119785
  H     -11.229545     -0.197591      2.049757
  H      -9.590131     -0.527851      3.899006
  N      -5.199700      1.880446      4.163770
  N      -6.056793      1.465916      3.265904
  H      -6.150700      2.002361      2.373972
  H      -6.967790      1.172183      3.649333
102
Coordinates from ORCA-job orca E -6484.888611672342
  N      -2.786576      0.581222      4.755357
  Mo     -4.018131      1.976381      5.502151
  N      -5.201135      1.376199      6.969582
  C      -4.663336      1.177623      8.308629
  C      -3.191330      0.816391      8.202406
  N      -2.542189      1.717594      7.220317
  C      -1.317488      1.128164      6.630525
  C      -1.702265      0.086255      5.598268
  C      -2.299689      3.068854      7.774377
  C      -2.256416      4.081313      6.644200
  N      -3.369098      3.866159      5.711877
  H      -0.805519     -0.152812      4.997561
  H      -2.000166     -0.866301      6.085221
  H      -0.769854      1.943196      6.137206
  H      -0.669377      0.705629      7.419186
  H      -2.324368      5.089934      7.091786
  H      -1.283298      4.049616      6.113849
  H      -3.142700      3.310027      8.435937
  H      -1.373141      3.084055      8.376670
  H      -5.200697      0.357662      8.821686
  H      -4.805226      2.079261      8.939120
  H      -3.099745     -0.207135      7.814756
  H      -2.677489      0.866801      9.178878
  C      -2.992372     -0.288278      3.598277
  C      -1.957175     -0.076920      2.476934
  C      -2.345059      1.006590      1.488288
  O      -3.420190      0.444611      0.696898
  C      -4.038494      1.084360     -0.318951
  C      -5.029929      0.341475     -0.956154
  C      -5.761305      0.896833     -2.011771
  N      -5.594104      2.128126     -2.483077
  C      -4.626106      2.873218     -1.882402
  C      -4.420560      4.199425     -2.338855
  C      -3.437209      4.975788     -1.766089
  C      -2.650815      4.418201     -0.735884
  N      -2.808984      3.191179     -0.261919
  C      -3.787520      2.411742     -0.803048
  C      -3.724487      5.147396      5.093408
  C      -4.742629      5.067446      3.970559
  C      -4.116969      4.529762      2.691676
  O      -5.093414      3.894642      1.857313
  C      -5.888464      4.640259      1.063024
  C      -5.745532      5.992640      0.780325
  C      -6.609970      6.574443     -0.166449
  N      -7.566444      5.935675     -0.831260
  C      -7.736544      4.612125     -0.536108
  C      -8.741025      3.862850     -1.196322
  C      -8.912992      2.530042     -0.872907
  C      -8.104417      1.954583      0.123798
  N      -7.145898      2.616173      0.767518
  C      -6.944836      3.918871      0.429029
  C      -6.659985      1.428056      6.927704
  C      -7.259612      2.768118      7.417844
  C      -8.373737      3.261549      6.515822
  O      -7.769560      3.688780      5.268917
  C      -8.618636      3.840739      4.203456
  C      -8.749737      5.094564      3.618532
  C      -9.602885      5.254763      2.515411
  N     -10.333672      4.277274      1.981169
  C     -10.185701      3.032442      2.517653
  C     -10.897683      1.945879      1.951629
  C     -10.708121      0.667165      2.458386
  C      -9.787021      0.478925      3.500062
  N      -9.098122      1.468681      4.078787
  C      -9.309092      2.738230      3.619040
  H      -2.951078     -1.342846      3.935528
  H      -3.999641     -0.127172      3.192270
  H      -0.980562      0.187222      2.912790
  H      -1.808056     -1.015212      1.918660
  H      -1.511502      1.283588      0.830151
  H      -2.696498      1.917204      1.992951
  H      -5.236072     -0.670896     -0.607099
  H      -6.539087      0.295386     -2.493472
  H      -5.066817      4.569680     -3.135988
  H      -3.262274      6.002023     -2.092230
  H      -1.853955      5.013156     -0.276501
  H      -2.800898      5.635582      4.715313
  H      -4.112458      5.815856      5.886724
  H      -5.172321      6.066060      3.800670
  H      -5.565986      4.405347      4.273978
  H      -3.406758      3.727412      2.927918
  H      -3.573968      5.306151      2.129643
  H      -4.974989      6.602119      1.249985
  H      -6.490579      7.638154     -0.399146
  H      -9.358814      4.365523     -1.941488
  H      -9.678732      1.925297     -1.360267
  H      -8.254638      0.912880      0.419723
  H      -7.067954      0.595170      7.531093
  H      -6.985796      1.266100      5.894299
  H      -6.463459      3.530687      7.435349
  H      -7.650152      2.684486      8.443811
  H      -8.894368      4.128031      6.959057
  H      -9.106264      2.465137      6.314372
  H      -8.200355      5.942488      4.029482
  H      -9.702241      6.241240      2.051706
  H     -11.572876      2.150330      1.119808
  H     -11.238473     -0.190456      2.041752
  H      -9.588870     -0.528206      3.880305
  N      -5.199739      1.881450      4.165833
  N      -6.062492      1.472592      3.271196
  H      -6.149123      2.003640      2.375126
  H      -6.977928      1.192988      3.656292
102
Coordinates from ORCA-job orca E -6484.888632341401
  N      -2.786725      0.579833      4.755889
  Mo     -4.018439      1.974125      5.502213
  N      -5.201282      1.374303      6.969704
  C      -4.663835      1.177251      8.309193
  C      -3.191903      0.815969      8.203813
  N      -2.542602      1.716315      7.221236
  C      -1.318013      1.126450      6.631618
  C      -1.702949      0.084366      5.599446
  C      -2.300544      3.068107      7.774040
  C      -2.258311      4.080128      6.643353
  N      -3.370605      3.863954      5.710777
  H      -0.806227     -0.155243      4.999000
  H      -2.001623     -0.867871      6.086418
  H      -0.770293      1.941269      6.137997
  H      -0.669901      0.704063      7.420336
  H      -2.327560      5.088638      7.091017
  H      -1.285236      4.049722      6.112893
  H      -3.143355      3.309536      8.435759
  H      -1.373789      3.084311      8.375960
  H      -5.201345      0.357800      8.822827
  H      -4.806166      2.079572      8.938574
  H      -3.100046     -0.207927      7.817175
  H      -2.678487      0.867236      9.180461
  C      -2.990688     -0.287594      3.596693
  C      -1.952029     -0.076311      2.478537
  C      -2.337917      1.004482      1.486036
  O      -3.406312      0.437900      0.688907
  C      -4.030616      1.079885     -0.322121
  C      -5.024152      0.337648     -0.956687
  C      -5.759589      0.894426     -2.008833
  N      -5.594582      2.126585     -2.478596
  C      -4.624830      2.871175     -1.880168
  C      -4.421764      4.198364     -2.334875
  C      -3.436475      4.974056     -1.764605
  C      -2.645241      4.414561     -0.739090
  N      -2.801000      3.186568     -0.266827
  C      -3.781872      2.408050     -0.804996
  C      -3.727268      5.145148      5.092673
  C      -4.742056      5.065399      3.966779
  C      -4.112863      4.530204      2.688576
  O      -5.086276      3.894038      1.851324
  C      -5.886638      4.640371      1.062535
  C      -5.746011      5.993360      0.781430
  C      -6.615161      6.576017     -0.160406
  N      -7.574052      5.937432     -0.822049
  C      -7.741565      4.613196     -0.528620
  C      -8.747923      3.863918     -1.186036
  C      -8.916864      2.530246     -0.864316
  C      -8.103802      1.954119      0.128271
  N      -7.143300      2.615694      0.768989
  C      -6.944933      3.919135      0.431903
  C      -6.660174      1.427433      6.928305
  C      -7.257747      2.770573      7.412595
  C      -8.369330      3.263563      6.507332
  O      -7.763387      3.683750      5.259038
  C      -8.616669      3.839936      4.196871
  C      -8.752887      5.095818      3.617426
  C      -9.611907      5.258115      2.519296
  N     -10.343873      4.280937      1.985549
  C     -10.191029      3.034427      2.516934
  C     -10.904575      1.948407      1.952069
  C     -10.710487      0.668315      2.454659
  C      -9.782093      0.478227      3.489086
  N      -9.090494      1.467523      4.066102
  C      -9.307531      2.738343      3.612279
  H      -2.951981     -1.342576      3.932805
  H      -3.996899     -0.124418      3.188823
  H      -0.977780      0.191043      2.917698
  H      -1.798362     -1.015257      1.922656
  H      -1.501274      1.283211      0.832611
  H      -2.694870      1.914712      1.987542
  H      -5.228644     -0.675385     -0.608616
  H      -6.539004      0.293727     -2.488851
  H      -5.071630      4.569842     -3.128497
  H      -3.263527      6.001178     -2.088950
  H      -1.846455      5.008759     -0.282084
  H      -2.803494      5.635518      4.717932
  H      -4.118780      5.811821      5.885766
  H      -5.171301      6.064214      3.796924
  H      -5.566266      4.403018      4.267149
  H      -3.401275      3.728970      2.924463
  H      -3.570204      5.308481      2.128676
  H      -4.973448      6.602316      1.248454
  H      -6.497834      7.640182     -0.392041
  H      -9.369412      4.367178     -1.927701
  H      -9.683528      1.924985     -1.349488
  H      -8.251643      0.911748      0.423071
  H      -7.068435      0.597830      7.535865
  H      -6.986913      1.260445      5.896037
  H      -6.459877      3.531353      7.429011
  H      -7.650301      2.691372      8.438138
  H      -8.888402      4.132853      6.946920
  H      -9.103916      2.468156      6.308516
  H      -8.203303      5.943452      4.028752
  H      -9.715391      6.245932      2.059429
  H     -11.584938      2.153946      1.124749
  H     -11.242320     -0.188818      2.038941
  H      -9.578909     -0.529776      3.864225
  N      -5.200640      1.882713      4.167209
  N      -6.071591      1.481008      3.278030
  H      -6.150778      2.005398      2.377130
  H      -6.991495      1.218227      3.666441
102
Coordinates from ORCA-job orca E -6484.888648950979
  N      -2.784836      0.577506      4.757122
  Mo     -4.016461      1.972139      5.501475
  N      -5.200319      1.372572      6.968282
  C      -4.664209      1.177363      8.308615
  C      -3.192247      0.815751      8.205190
  N      -2.541992      1.715106      7.222470
  C      -1.317342      1.124492      6.633741
  C      -1.701930      0.082006      5.601826
  C      -2.300173      3.067340      7.774098
  C      -2.257824      4.078632      6.642762
  N      -3.369863      3.862157      5.709889
  H      -0.804853     -0.158165      5.002169
  H      -2.001472     -0.869855      6.088922
  H      -0.769047      1.938857      6.139997
  H      -0.669713      0.702286      7.422962
  H      -2.327157      5.087379      7.089848
  H      -1.284694      4.047919      6.112445
  H      -3.143006      3.309211      8.435623
  H      -1.373467      3.084249      8.376069
  H      -5.202363      0.358707      8.822790
  H      -4.807104      2.080593      8.936533
  H      -3.100099     -0.208555      7.819709
  H      -2.679918      0.867873      9.182357
  C      -2.986694     -0.288424      3.596363
  C      -1.945705     -0.076367      2.480509
  C      -2.330778      1.002941      1.485995
  O      -3.393598      0.432564      0.684265
  C      -4.023162      1.076360     -0.322481
  C      -5.018888      0.334786     -0.954336
  C      -5.758016      0.892752     -2.003275
  N      -5.594976      2.125643     -2.471868
  C      -4.623668      2.869854     -1.875472
  C      -4.422659      4.197811     -2.328835
  C      -3.435536      4.972938     -1.760894
  C      -2.640456      4.412088     -0.739118
  N      -2.794169      3.183320     -0.268136
  C      -3.776809      2.405403     -0.803980
  C      -3.724458      5.143118      5.090037
  C      -4.739707      5.064469      3.964493
  C      -4.110830      4.530293      2.685670
  O      -5.084096      3.894131      1.848389
  C      -5.887446      4.641021      1.062899
  C      -5.748492      5.994495      0.783275
  C      -6.621051      6.578001     -0.154811
  N      -7.581806      5.939725     -0.814115
  C      -7.747485      4.614945     -0.522172
  C      -8.755451      3.865933     -1.177465
  C      -8.922431      2.531647     -0.857218
  C      -8.105869      1.954607      0.132021
  N      -7.143757      2.615960      0.770537
  C      -6.947198      3.920013      0.434698
  C      -6.659279      1.427543      6.925980
  C      -7.255006      2.773396      7.405209
  C      -8.366533      3.264810      6.498809
  O      -7.761130      3.679654      5.248412
  C      -8.618444      3.839263      4.189379
  C      -8.758307      5.096580      3.613801
  C      -9.622315      5.260323      2.519824
  N     -10.355731      4.283516      1.987089
  C     -10.199296      3.035801      2.514691
  C     -10.914028      1.950069      1.950896
  C     -10.716157      0.668994      2.450227
  C      -9.782105      0.477698      3.479063
  N      -9.088656      1.466794      4.054661
  C      -9.310373      2.738445      3.605228
  H      -2.949231     -1.343726      3.931519
  H      -3.992140     -0.124238      3.186989
  H      -0.972956      0.192828      2.921835
  H      -1.789053     -1.015417      1.925659
  H      -1.492084      1.284262      0.836324
  H      -2.692885      1.912077      1.985816
  H      -5.221914     -0.678800     -0.606988
  H      -6.538801      0.292435     -2.481539
  H      -5.075476      4.570207     -3.119598
  H      -3.263974      6.000611     -2.084229
  H      -1.840167      5.005815     -0.284140
  H      -2.799779      5.631046      4.714240
  H      -4.114039      5.811661      5.882469
  H      -5.168129      6.063802      3.795599
  H      -5.564498      4.402685      4.264435
  H      -3.398317      3.729465      2.920320
  H      -3.568972      5.309481      2.126174
  H      -4.974763      6.603096      1.248845
  H      -6.505295      7.642589     -0.385259
  H      -9.379706      4.369914     -1.916306
  H      -9.690214      1.926455     -1.340688
  H      -8.252362      0.911856      0.426097
  H      -7.068808      0.600716      7.536406
  H      -6.986088      1.256759      5.894395
  H      -6.456099      3.533163      7.418035
  H      -7.646713      2.698772      8.431405
  H      -8.884312      4.136145      6.935860
  H      -9.102506      2.469753      6.303255
  H      -8.207837      5.943884      4.024625
  H      -9.728845      6.249034      2.062573
  H     -11.598440      2.156325      1.127102
  H     -11.248867     -0.187936      2.035224
  H      -9.575155     -0.530888      3.850503
  N      -5.198067      1.883370      4.166585
  N      -6.075095      1.486974      3.281821
  H      -6.150756      2.007225      2.378080
  H      -6.997031      1.232828      3.672826
102
Coordinates from ORCA-job orca E -6484.888664430254
  N      -2.785194      0.573452      4.758830
  Mo     -4.014655      1.970157      5.501068
  N      -5.199142      1.371153      6.967830
  C      -4.664147      1.178643      8.308998
  C      -3.192411      0.815784      8.207179
  N      -2.541168      1.713424      7.223688
  C      -1.317348      1.120783      6.635173
  C      -1.702925      0.077751      5.604152
  C      -2.298178      3.066093      7.773626
  C      -2.255736      4.076138      6.641184
  N      -3.368806      3.860373      5.709202
  H      -0.805947     -0.163639      5.004830
  H      -2.003448     -0.873458      6.091881
  H      -0.768031      1.934023      6.140709
  H      -0.670006      0.698482      7.424613
  H      -2.323129      5.085563      7.086963
  H      -1.283125      4.043124      6.110070
  H      -3.140286      3.309128      8.435643
  H      -1.371012      3.083176      8.374882
  H      -5.203197      0.361503      8.824601
  H      -4.806858      2.083378      8.934759
  H      -3.100847     -0.209115      7.823140
  H      -2.680672      0.868784      9.184593
  C      -2.985974     -0.290233      3.596303
  C      -1.943005     -0.077825      2.482412
  C      -2.326220      1.002144      1.487689
  O      -3.384327      0.430368      0.680669
  C      -4.017877      1.077377     -0.321709
  C      -5.016536      0.338099     -0.951614
  C      -5.757220      0.898239     -1.998319
  N      -5.593261      2.131289     -2.466208
  C      -4.620004      2.873746     -1.870800
  C      -4.418150      4.201878     -2.323264
  C      -3.428946      4.975208     -1.756396
  C      -2.632699      4.412334     -0.736683
  N      -2.786997      3.183237     -0.266674
  C      -3.771599      2.407060     -0.801548
  C      -3.719210      5.140981      5.086169
  C      -4.737705      5.063851      3.963279
  C      -4.111254      4.531119      2.682456
  O      -5.085411      3.894892      1.846550
  C      -5.890027      4.641741      1.062138
  C      -5.751861      5.995302      0.782606
  C      -6.625688      6.578685     -0.154318
  N      -7.587136      5.940167     -0.812443
  C      -7.752272      4.615352     -0.520275
  C      -8.761125      3.866220     -1.174079
  C      -8.927970      2.532074     -0.853132
  C      -8.110463      1.955290      0.135558
  N      -7.147335      2.616765      0.772368
  C      -6.950600      3.920583      0.435580
  C      -6.658044      1.428880      6.924845
  C      -7.251024      2.778037      7.398133
  C      -8.363360      3.266617      6.491058
  O      -7.758890      3.675078      5.238065
  C      -8.619956      3.836317      4.181813
  C      -8.763609      5.094246      3.608423
  C      -9.632822      5.257624      2.518528
  N     -10.367411      4.280306      1.988126
  C     -10.206887      3.032073      2.513395
  C     -10.922423      1.945666      1.952143
  C     -10.720331      0.664375      2.449956
  C      -9.780791      0.473654      3.473668
  N      -9.086014      1.463553      4.046634
  C      -9.312546      2.735268      3.599557
  H      -2.950632     -1.346054      3.929992
  H      -3.990615     -0.123703      3.185835
  H      -0.970783      0.190246      2.925528
  H      -1.785862     -1.016530      1.927124
  H      -1.485487      1.286335      0.841983
  H      -2.692634      1.909668      1.987288
  H      -5.219911     -0.675746     -0.605213
  H      -6.539609      0.299281     -2.475650
  H      -5.072084      4.575860     -3.112348
  H      -3.256594      6.002989     -2.078952
  H      -1.830965      5.004715     -0.282497
  H      -2.793273      5.623357      4.706075
  H      -4.102811      5.813864      5.877782
  H      -5.166090      6.063567      3.796464
  H      -5.562299      4.402312      4.264227
  H      -3.397153      3.730977      2.914851
  H      -3.571344      5.311504      2.122645
  H      -4.977774      6.604003      1.247474
  H      -6.510582      7.643347     -0.384688
  H      -9.386294      4.370118     -1.912199
  H      -9.696521      1.926804     -1.335259
  H      -8.257680      0.913099      0.431183
  H      -7.069445      0.605489      7.538599
  H      -6.985210      1.253807      5.894154
  H      -6.451050      3.536760      7.404983
  H      -7.640296      2.709400      8.425644
  H      -8.879822      4.140282      6.924963
  H      -9.100621      2.471572      6.299788
  H      -8.212304      5.941895      4.017421
  H      -9.742873      6.246610      2.062708
  H     -11.610903      2.151262      1.131575
  H     -11.253534     -0.193078      2.036717
  H      -9.569824     -0.534896      3.842885
  N      -5.196646      1.885146      4.166962
  N      -6.081752      1.495092      3.288525
  H      -6.154031      2.009565      2.381029
  H      -7.005457      1.251442      3.683535
102
Coordinates from ORCA-job orca E -6484.888671502221
  N      -2.783177      0.571998      4.759772
  Mo     -4.012141      1.969584      5.500481
  N      -5.197682      1.369296      6.966171
  C      -4.663969      1.177817      8.307971
  C      -3.192020      0.815281      8.207655
  N      -2.540226      1.712988      7.224566
  C      -1.316192      1.120240      6.636565
  C      -1.701145      0.076914      5.605633
  C      -2.297465      3.065623      7.774635
  C      -2.254559      4.075520      6.642143
  N      -3.367900      3.860418      5.710197
  H      -0.803767     -0.164331      5.006823
  H      -2.001561     -0.874300      6.093422
  H      -0.766607      1.933349      6.142189
  H      -0.669107      0.698059      7.426305
  H      -2.321011      5.085208      7.087413
  H      -1.281971      4.041321      6.111045
  H      -3.139730      3.308459      8.436524
  H      -1.370443      3.082746      8.376107
  H      -5.203327      0.360940      8.823670
  H      -4.807386      2.082983      8.932951
  H      -3.099948     -0.209669      7.823872
  H      -2.681121      0.868580      9.185477
  C      -2.983142     -0.291319      3.596971
  C      -1.940717     -0.077579      2.482834
  C      -2.325443      1.002772      1.489080
  O      -3.382431      0.429676      0.681432
  C      -4.017621      1.076790     -0.319801
  C      -5.016662      0.337365     -0.948975
  C      -5.758253      0.897500     -1.995035
  N      -5.595058      2.130695     -2.462820
  C      -4.621721      2.873419     -1.867825
  C      -4.420707      4.201757     -2.320047
  C      -3.431551      4.975402     -1.753438
  C      -2.634782      4.412766     -0.734026
  N      -2.788232      3.183455     -0.264278
  C      -3.772470      2.406813     -0.799236
  C      -3.715113      5.140943      5.085286
  C      -4.736583      5.064651      3.965050
  C      -4.112678      4.532343      2.682737
  O      -5.088315      3.895917      1.849037
  C      -5.892633      4.641862      1.063646
  C      -5.755477      5.995409      0.783625
  C      -6.629162      6.577576     -0.154189
  N      -7.589520      5.937881     -0.812749
  C      -7.753837      4.613098     -0.519888
  C      -8.761664      3.862833     -1.173973
  C      -8.928026      2.528856     -0.852135
  C      -8.111030      1.953333      0.137747
  N      -7.148817      2.615880      0.774849
  C      -6.952395      3.919528      0.437032
  C      -6.656559      1.428321      6.921833
  C      -7.248928      2.778122      7.394113
  C      -8.362591      3.265632      6.487905
  O      -7.759006      3.674271      5.234541
  C      -8.620506      3.837114      4.178773
  C      -8.763600      5.095667      3.606561
  C      -9.633239      5.260298      2.517154
  N     -10.368798      4.283942      1.986388
  C     -10.208886      3.035158      2.510532
  C     -10.925157      1.949558      1.948733
  C     -10.723202      0.667716      2.445288
  C      -9.782983      0.475667      3.468095
  N      -9.087549      1.464822      4.041502
  C      -9.314044      2.737016      3.595881
  H      -2.946901     -1.347232      3.930249
  H      -3.987938     -0.125268      3.186696
  H      -0.968231      0.190155      2.925545
  H      -1.783761     -1.015812      1.926694
  H      -1.485246      1.289273      0.843711
  H      -2.693980      1.909054      1.989394
  H      -5.219453     -0.676640     -0.602667
  H      -6.540840      0.298279     -2.471684
  H      -5.075198      4.575662     -3.108704
  H      -3.259661      6.003279     -2.075952
  H      -1.833372      5.005579     -0.279824
  H      -2.788518      5.619398      4.701687
  H      -4.093959      5.816808      5.876609
  H      -5.165633      6.064292      3.799550
  H      -5.560414      4.402868      4.267564
  H      -3.397804      3.732523      2.913896
  H      -3.574275      5.313029      2.121949
  H      -4.982421      6.605151      1.248848
  H      -6.514739      7.642232     -0.384920
  H      -9.386523      4.365827     -1.912977
  H      -9.696023      1.922927     -1.334359
  H      -8.258383      0.911522      0.434597
  H      -7.069343      0.605476      7.535414
  H      -6.983081      1.253029      5.890990
  H      -6.448988      3.536907      7.398220
  H      -7.636194      2.710998      8.422466
  H      -8.879301      4.139035      6.922032
  H      -9.099578      2.470179      6.297175
  H      -8.211483      5.942647      4.015791
  H      -9.742814      6.249663      2.061996
  H     -11.613995      2.156095      1.128702
  H     -11.256853     -0.189159      2.031467
  H      -9.571917     -0.533297      3.836108
  N      -5.193588      1.885684      4.165761
  N      -6.081192      1.497072      3.289648
  H      -6.154709      2.010302      2.381568
  H      -7.004161      1.253217      3.686372
102
Coordinates from ORCA-job orca E -6484.888676170494
  N      -2.783354      0.571059      4.760381
  Mo     -4.011144      1.969607      5.500656
  N      -5.196995      1.368011      6.965852
  C      -4.663735      1.177117      8.307882
  C      -3.191697      0.814785      8.207998
  N      -2.539901      1.712682      7.225008
  C      -1.316007      1.119726      6.636818
  C      -1.701067      0.076306      5.605994
  C      -2.296805      3.065127      7.775498
  C      -2.253799      4.075099      6.643120
  N      -3.367976      3.861028      5.711760
  H      -0.803684     -0.164796      5.007084
  H      -2.001131     -0.874976      6.093888
  H      -0.766327      1.932714      6.142353
  H      -0.668850      0.697461      7.426475
  H      -2.318847      5.084998      7.088070
  H      -1.281491      4.039577      6.111582
  H      -3.138908      3.307770      8.437666
  H      -1.369657      3.081869      8.376785
  H      -5.203146      0.360403      8.823799
  H      -4.807365      2.082556      8.932431
  H      -3.099463     -0.210148      7.824213
  H      -2.680933      0.868192      9.185868
  C      -2.983499     -0.291874      3.597476
  C      -1.942168     -0.076771      2.482572
  C      -2.328312      1.004827      1.490739
  O      -3.386043      0.432124      0.683551
  C      -4.020745      1.078914     -0.318151
  C      -5.019644      0.339341     -0.947434
  C      -5.760157      0.898828     -1.994599
  N      -5.596017      2.131426     -2.463572
  C      -4.622999      2.874399     -1.868351
  C      -4.420942      4.202125     -2.321906
  C      -3.432204      4.976079     -1.754975
  C      -2.636981      4.414411     -0.733844
  N      -2.791320      3.185644     -0.262976
  C      -3.775035      2.408607     -0.798388
  C      -3.713156      5.141699      5.086001
  C      -4.736377      5.065766      3.967279
  C      -4.113737      4.533645      2.684129
  O      -5.090176      3.897384      1.851397
  C      -5.892504      4.642704      1.063598
  C      -5.754317      5.995818      0.782019
  C      -6.625940      6.577000     -0.158353
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  C      -7.750981      4.612605     -0.523162
  C      -8.758214      3.862035     -1.177795
  C      -8.926344      2.528780     -0.853901
  C      -8.111620      1.954324      0.138447
  N      -7.149940      2.617114      0.776142
  C      -6.951742      3.920037      0.436320
  C      -6.655754      1.427847      6.921076
  C      -7.247783      2.777727      7.393405
  C      -8.362719      3.264229      6.488251
  O      -7.759869      3.673920      5.234966
  C      -8.620753      3.835929      4.178711
  C      -8.763109      5.094101      3.605503
  C      -9.632003      5.258089      2.515381
  N     -10.367521      4.281625      1.984857
  C     -10.208363      3.033178      2.510055
  C     -10.924657      1.947392      1.948720
  C     -10.723346      0.665896      2.446350
  C      -9.783615      0.474295      3.469725
  N      -9.088246      1.463666      4.042660
  C      -9.314183      2.735576      3.596089
  H      -2.946307     -1.347929      3.930197
  H      -3.988651     -0.126129      3.187950
  H      -0.969079      0.189933      2.924556
  H      -1.786191     -1.014337      1.925023
  H      -1.489172      1.292778      0.844685
  H      -2.697111      1.910198      1.992535
  H      -5.222986     -0.674358     -0.600553
  H      -6.542522      0.299290     -2.471197
  H      -5.074337      4.575440     -3.111748
  H      -3.259498      6.003484     -2.078548
  H      -1.836109      5.007591     -0.279163
  H      -2.786244      5.618034      4.700468
  H      -4.089216      5.819080      5.877351
  H      -5.166500      6.065053      3.802437
  H      -5.559364      4.403327      4.270728
  H      -3.398917      3.733740      2.915167
  H      -3.575735      5.314264      2.122938
  H      -4.982044      6.606112      1.247817
  H      -6.510442      7.641276     -0.390317
  H      -9.381326      4.364293     -1.918775
  H      -9.694205      1.922907     -1.336431
  H      -8.260726      0.913321      0.437245
  H      -7.069354      0.605066      7.534225
  H      -6.982003      1.252918      5.890107
  H      -6.448123      3.536814      7.395524
  H      -7.633336      2.711127      8.422431
  H      -8.880138      4.136922      6.922980
  H      -9.098979      2.468092      6.297565
  H      -8.210975      5.941219      4.014403
  H      -9.741003      6.247127      2.059361
  H     -11.613024      2.153466      1.128171
  H     -11.257082     -0.191071      2.032867
  H      -9.572863     -0.534441      3.838534
  N      -5.192802      1.886907      4.165598
  N      -6.082745      1.499544      3.291535
  H      -6.157064      2.011269      2.382629
  H      -7.005234      1.256912      3.689792
102
Coordinates from ORCA-job orca E -6484.888680149616
  N      -2.782300      0.571153      4.760478
  Mo     -4.010117      1.969628      5.500528
  N      -5.196278      1.366244      6.964916
  C      -4.663377      1.175422      8.307092
  C      -3.191031      0.814215      8.207596
  N      -2.539630      1.712966      7.225019
  C      -1.315264      1.120856      6.636885
  C      -1.699526      0.077225      5.605917
  C      -2.297264      3.065237      7.776377
  C      -2.254513      4.075714      6.644472
  N      -3.368852      3.861914      5.713139
  H      -0.801922     -0.163059      5.006980
  H      -1.998695     -0.874375      6.093750
  H      -0.766079      1.934238      6.142514
  H      -0.667917      0.698913      7.426560
  H      -2.319539      5.085503      7.089670
  H      -1.282186      4.040370      6.112948
  H      -3.139669      3.307014      8.438483
  H      -1.370261      3.082023      8.377876
  H      -5.202416      0.358256      8.822703
  H      -4.807799      2.080682      8.931738
  H      -3.097885     -0.210537      7.823553
  H      -2.680534      0.867814      9.185582
  C      -2.982415     -0.292212      3.597955
  C      -1.942373     -0.075833      2.482045
  C      -2.330313      1.006306      1.491579
  O      -3.389893      0.434051      0.686324
  C      -4.023477      1.079571     -0.316814
  C      -5.021633      0.339140     -0.946296
  C      -5.761523      0.897496     -1.994513
  N      -5.597327      2.129645     -2.464583
  C      -4.624881      2.873383     -1.869375
  C      -4.422774      4.200698     -2.324129
  C      -3.434839      4.975531     -1.757038
  C      -2.640473      4.415191     -0.734501
  N      -2.794851      3.186848     -0.262594
  C      -3.777722      2.408875     -0.798215
  C      -3.714154      5.142817      5.087891
  C      -4.737286      5.066464      3.969160
  C      -4.114372      4.534797      2.685916
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  C      -5.753588      5.995577      0.781133
  C      -6.624051      6.575642     -0.161040
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  C      -7.748596      4.610852     -0.525057
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  C      -8.110440      1.953521      0.139428
  N      -7.149423      2.616920      0.777550
  C      -6.950634      3.919408      0.436269
  C      -6.654951      1.426022      6.919729
  C      -7.247421      2.775189      7.393445
  C      -8.362982      3.261747      6.489116
  O      -7.760421      3.674539      5.236804
  C      -8.620111      3.836751      4.179843
  C      -8.760523      5.094952      3.606229
  C      -9.627914      5.259790      2.515026
  N     -10.364011      4.284162      1.983862
  C     -10.206936      3.035675      2.509573
  C     -10.924103      1.950729      1.947757
  C     -10.724752      0.669067      2.445559
  C      -9.785922      0.476336      3.469620
  N      -9.089903      1.464894      4.042996
  C      -9.314104      2.737064      3.596459
  H      -2.943552     -1.348188      3.930715
  H      -3.988102     -0.127757      3.189242
  H      -0.968900      0.190883      2.923175
  H      -1.786770     -1.012968      1.923668
  H      -1.492625      1.294628      0.843843
  H      -2.698229      1.911446      1.994472
  H      -5.225026     -0.674292     -0.598682
  H      -6.543469      0.297300     -2.470978
  H      -5.075508      4.573085     -3.114956
  H      -3.262162      6.002656     -2.081509
  H      -1.840317      5.009133     -0.279551
  H      -2.787449      5.619817      4.702728
  H      -4.090577      5.819610      5.879592
  H      -5.168826      6.065127      3.804303
  H      -5.559347      4.402852      4.272616
  H      -3.399629      3.734976      2.917397
  H      -3.576543      5.315512      2.124771
  H      -4.982018      6.606610      1.247125
  H      -6.508154      7.639658     -0.394031
  H      -9.377219      4.360999     -1.922416
  H      -9.691267      1.920525     -1.337366
  H      -8.260038      0.912924      0.439429
  H      -7.068786      0.602455      7.531693
  H      -6.980772      1.252364      5.888414
  H      -6.448168      3.534703      7.395708
  H      -7.632483      2.707541      8.422588
  H      -8.881599      4.132961      6.925412
  H      -9.098152      2.464992      6.296934
  H      -8.208035      5.941522      4.015764
  H      -9.735132      6.248848      2.058614
  H     -11.611530      2.157549      1.126610
  H     -11.259344     -0.187200      2.031731
  H      -9.576443     -0.532639      3.838482
  N      -5.191631      1.887014      4.164710
  N      -6.082730      1.499617      3.291834
  H      -6.158698      2.010870      2.382731
  H      -7.004470      1.256468      3.691174
102
Coordinates from ORCA-job orca E -6484.888683546444
  N      -2.780993      0.571200      4.760329
  Mo     -4.009180      1.969389      5.499941
  N      -5.195767      1.364403      6.963419
  C      -4.663191      1.173516      8.305736
  C      -3.190505      0.813641      8.206713
  N      -2.539576      1.713330      7.224570
  C      -1.314490      1.122357      6.636724
  C      -1.697625      0.078335      5.605651
  C      -2.298303      3.065500      7.776813
  C      -2.256027      4.076598      6.645456
  N      -3.370277      3.862694      5.713974
  H      -0.799748     -0.160937      5.006702
  H      -1.995725     -0.873602      6.093479
  H      -0.766013      1.936258      6.142417
  H      -0.666950      0.701006      7.426550
  H      -2.321607      5.086131      7.091165
  H      -1.283587      4.042111      6.114083
  H      -3.141151      3.306241      8.438736
  H      -1.371516      3.082528      8.378628
  H      -5.201786      0.355764      8.820902
  H      -4.808548      2.078491      8.930589
  H      -3.096166     -0.210933      7.822495
  H      -2.680391      0.867595      9.184872
  C      -2.980887     -0.292950      3.598351
  C      -1.942097     -0.075309      2.481467
  C      -2.331861      1.006974      1.492014
  O      -3.393923      0.435356      0.689485
  C      -4.025956      1.079319     -0.315495
  C      -5.023281      0.338008     -0.945271
  C      -5.762325      0.895134     -1.994740
  N      -5.597950      2.126806     -2.465972
  C      -4.626088      2.871287     -1.870723
  C      -4.423740      4.198147     -2.326720
  C      -3.436543      4.973766     -1.759473
  C      -2.643095      4.414690     -0.735512
  N      -2.797714      3.186829     -0.262508
  C      -3.779887      2.408080     -0.798250
  C      -3.717253      5.143936      5.090294
  C      -4.738788      5.066839      3.970237
  C      -4.114253      4.535848      2.687505
  O      -5.089780      3.899249      1.853924
  C      -5.890542      4.643499      1.063890
  C      -5.751582      5.996106      0.780210
  C      -6.621407      6.575740     -0.162858
  N      -7.579671      5.934708     -0.823058
  C      -7.746373      4.611082     -0.526075
  C      -8.752851      3.859714     -1.180941
  C      -8.922135      2.527130     -0.854658
  C      -8.109323      1.954372      0.140051
  N      -7.148334      2.617868      0.778182
  C      -6.949081      3.920091      0.436090
  C      -6.654340      1.424191      6.918058
  C      -7.246987      2.772680      7.393420
  C      -8.363147      3.259784      6.490169
  O      -7.761181      3.676015      5.238771
  C      -8.619965      3.837852      4.181266
  C      -8.759134      5.095877      3.606985
  C      -9.625317      5.261022      2.514872
  N     -10.361667      4.285770      1.983401
  C     -10.205953      3.037420      2.509833
  C     -10.923589      1.952836      1.947896
  C     -10.725547      0.671198      2.446074
  C      -9.787354      0.477974      3.470711
  N      -9.091056      1.466176      4.044181
  C      -9.314146      2.738408      3.597464
  H      -2.940028     -1.348746      3.931403
  H      -3.987168     -0.130271      3.190420
  H      -0.968512      0.192186      2.921887
  H      -1.786266     -1.012132      1.922635
  H      -1.495727      1.294826      0.842078
  H      -2.698070      1.912373      1.995732
  H      -5.226921     -0.675077     -0.596796
  H      -6.543796      0.294300     -2.471195
  H      -5.075674      4.569614     -3.118637
  H      -3.263794      6.000582     -2.084882
  H      -1.843507      5.009256     -0.280382
  H      -2.791049      5.623591      4.707359
  H      -4.096456      5.818554      5.882555
  H      -5.171696      6.064836      3.804967
  H      -5.560108      4.401863      4.272753
  H      -3.399948      3.735909      2.919844
  H      -3.575954      5.316735      2.127102
  H      -4.980116      6.607386      1.246048
  H      -6.504961      7.639548     -0.396554
  H      -9.374483      4.360775     -1.923966
  H      -9.689610      1.920915     -1.337362
  H      -8.259107      0.913949      0.440601
  H      -7.068354      0.599828      7.528863
  H      -6.979901      1.251881      5.886439
  H      -6.447956      3.532428      7.396091
  H      -7.631631      2.703842      8.422642
  H      -8.882801      4.129435      6.928375
  H      -9.097307      2.462526      6.296441
  H      -8.206654      5.942232      4.016976
  H      -9.731345      6.249985      2.057987
  H     -11.610307      2.159910      1.126213
  H     -11.260700     -0.184702      2.032201
  H      -9.578644     -0.531069      3.839815
  N      -5.190216      1.886860      4.162920
  N      -6.083188      1.499897      3.291769
  H      -6.160444      2.010329      2.382193
  H      -7.004392      1.257211      3.692376
102
Coordinates from ORCA-job orca E -6484.888686667427
  N      -2.779356      0.571137      4.760014
  Mo     -4.008377      1.968876      5.498950
  N      -5.195383      1.362963      6.961677
  C      -4.663103      1.171803      8.304104
  C      -3.190117      0.813175      8.205568
  N      -2.539572      1.713717      7.223915
  C      -1.313636      1.124058      6.636506
  C      -1.695392      0.079515      5.605376
  C      -2.299725      3.065920      7.776774
  C      -2.258062      4.077613      6.645903
  N      -3.371700      3.862999      5.713893
  H      -0.797194     -0.158642      5.006465
  H      -1.992365     -0.872755      6.093232
  H      -0.766003      1.938562      6.142243
  H      -0.665874      0.703514      7.426574
  H      -2.325015      5.086762      7.092327
  H      -1.285337      4.044773      6.114944
  H      -3.143108      3.305671      8.438374
  H      -1.373220      3.083526      8.379001
  H      -5.201288      0.353411      8.818700
  H      -4.809379      2.076383      8.929322
  H      -3.094586     -0.211223      7.821183
  H      -2.680482      0.867420      9.183962
  C      -2.978839     -0.294036      3.598671
  C      -1.940783     -0.075995      2.481187
  C      -2.331254      1.006291      1.492085
  O      -3.395982      0.435942      0.692220
  C      -4.026342      1.078749     -0.314487
  C      -5.023307      0.337051     -0.944364
  C      -5.761828      0.893489     -1.994564
  N      -5.597168      2.124844     -2.466530
  C      -4.625428      2.869592     -1.871430
  C      -4.422889      4.196193     -2.328110
  C      -3.435990      4.972164     -1.760885
  C      -2.642920      4.413672     -0.736286
  N      -2.797771      3.186107     -0.262640
  C      -3.779729      2.407046     -0.798275
  C      -3.720908      5.144357      5.091682
  C      -4.740422      5.066452      3.969908
  C      -4.113988      4.536409      2.687779
  O      -5.088436      3.899613      1.852945
  C      -5.889645      4.643825      1.063380
  C      -5.750777      5.996424      0.779569
  C      -6.620977      6.576010     -0.163196
  N      -7.579534      5.934985     -0.822982
  C      -7.746140      4.611370     -0.525891
  C      -8.752930      3.859970     -1.180237
  C      -8.922058      2.527385     -0.853755
  C      -8.108835      1.954729      0.140622
  N      -7.147518      2.618276      0.778232
  C      -6.948434      3.920455      0.435952
  C      -6.653896      1.422677      6.916265
  C      -7.246507      2.770635      7.393130
  C      -8.363001      3.258705      6.490842
  O      -7.761659      3.677470      5.239946
  C      -8.620209      3.839283      4.182413
  C      -8.758611      5.097268      3.607871
  C      -9.624519      5.262984      2.515643
  N     -10.361460      4.288171      1.984174
  C     -10.206484      3.039804      2.510753
  C     -10.924759      1.955631      1.948787
  C     -10.727438      0.673857      2.446752
  C      -9.789264      0.480013      3.471365
  N      -9.092528      1.467799      4.044908
  C      -9.314950      2.740204      3.598448
  H      -2.936468     -1.349554      3.932403
  H      -3.985534     -0.132990      3.191126
  H      -0.967178      0.192128      2.921213
  H      -1.784793     -1.012766      1.922313
  H      -1.496099      1.292519      0.840184
  H      -2.694906      1.912515      1.996171
  H      -5.227319     -0.675727     -0.595224
  H      -6.543142      0.292456     -2.471039
  H      -5.074459      4.567183     -3.120550
  H      -3.263219      5.998827     -2.086764
  H      -1.843487      5.008472     -0.281196
  H      -2.795225      5.626986      4.711328
  H      -4.103540      5.816676      5.884279
  H      -5.174178      6.064015      3.804248
  H      -5.561343      4.400425      4.271147
  H      -3.399690      3.736600      2.920493
  H      -3.575484      5.317805      2.128270
  H      -4.979053      6.607696      1.244996
  H      -6.504592      7.639789     -0.397060
  H      -9.374913      4.360961     -1.923011
  H      -9.689693      1.921094     -1.336091
  H      -8.258252      0.914259      0.441215
  H      -7.067945      0.597644      7.526151
  H      -6.979395      1.251472      5.884444
  H      -6.447452      3.530361      7.396457
  H      -7.630952      2.700775      8.422361
  H      -8.882961      4.127387      6.930593
  H      -9.096728      2.461379      6.296004
  H      -8.205800      5.943325      4.018050
  H      -9.729826      6.251997      2.058717
  H     -11.611321      2.163147      1.127083
  H     -11.263141     -0.181690      2.032843
  H      -9.580995     -0.529193      3.840264
  N      -5.188719      1.886087      4.160775
  N      -6.083626      1.499404      3.291483
  H      -6.161827      2.009001      2.381416
  H      -7.004372      1.257191      3.693408
102
Coordinates from ORCA-job orca E -6484.888688911783
  N      -2.778046      0.570932      4.759695
  Mo     -4.007950      1.968412      5.497886
  N      -5.195395      1.362558      6.960181
  C      -4.663383      1.170761      8.302646
  C      -3.190241      0.812751      8.204481
  N      -2.539729      1.713871      7.223372
  C      -1.313123      1.125225      6.636394
  C      -1.693707      0.080304      5.605202
  C      -2.301016      3.066115      7.776575
  C      -2.259670      4.078243      6.646047
  N      -3.372456      3.862830      5.713305
  H      -0.795220     -0.156981      5.006384
  H      -1.989869     -0.872226      6.093046
  H      -0.766098      1.940222      6.142260
  H      -0.665238      0.705314      7.426700
  H      -2.328023      5.087048      7.093081
  H      -1.286587      4.046911      6.115645
  H      -3.144828      3.305240      8.437851
  H      -1.374770      3.084235      8.379195
  H      -5.201440      0.351883      8.816620
  H      -4.810173      2.074906      8.928373
  H      -3.094030     -0.211487      7.819839
  H      -2.681060      0.866918      9.183126
  C      -2.977125     -0.295137      3.598903
  C      -1.939544     -0.077163      2.481019
  C      -2.330293      1.004974      1.491866
  O      -3.396991      0.435641      0.694061
  C      -4.026087      1.077792     -0.313810
  C      -5.022832      0.336025     -0.943942
  C      -5.760799      0.892220     -1.994647
  N      -5.595826      2.123482     -2.466804
  C      -4.624231      2.868246     -1.871497
  C      -4.421461      4.194792     -2.328238
  C      -3.434734      4.970788     -1.760761
  C      -2.642026      4.412362     -0.735828
  N      -2.797152      3.184886     -0.262064
  C      -3.778978      2.405855     -0.797928
  C      -3.723173      5.144122      5.091855
  C      -4.741404      5.065898      3.968959
  C      -4.113896      4.536289      2.687264
  O      -5.087797      3.899659      1.851541
  C      -5.889515      4.644274      1.062875
  C      -5.750757      5.997006      0.779617
  C      -6.621561      6.577144     -0.162247
  N      -7.580643      5.936523     -0.821672
  C      -7.747076      4.612755     -0.525212
  C      -8.754295      3.861697     -1.179280
  C      -8.923157      2.528930     -0.853452
  C      -8.109206      1.955682      0.140036
  N      -7.147472      2.618946      0.777282
  C      -6.948688      3.921304      0.435674
  C      -6.653889      1.422543      6.914761
  C      -7.246058      2.770211      7.392954
  C      -8.362903      3.259405      6.491709
  O      -7.762214      3.679318      5.240752
  C      -8.620929      3.840608      4.183324
  C      -8.759502      5.098393      3.608386
  C      -9.625454      5.263831      2.516154
  N     -10.362244      4.288805      1.984863
  C     -10.206987      3.040581      2.511663
  C     -10.924919      1.956137      1.949702
  C     -10.727357      0.674479      2.447748
  C      -9.789497      0.481043      3.472780
  N      -9.093263      1.469063      4.046433
  C      -9.315610      2.741324      3.599562
  H      -2.933735     -1.350400      3.933332
  H      -3.984082     -0.135321      3.191524
  H      -0.965901      0.191439      2.920700
  H      -1.783486     -1.014019      1.922305
  H      -1.495649      1.289523      0.838541
  H      -2.691786      1.912029      1.995986
  H      -5.227206     -0.676580     -0.594497
  H      -6.541897      0.291172     -2.471459
  H      -5.072716      4.565659     -3.120998
  H      -3.261824      5.997405     -2.086719
  H      -1.842670      5.007142     -0.280587
  H      -2.797767      5.628462      4.713020
  H      -4.107968      5.815194      5.884477
  H      -5.174946      6.063532      3.803123
  H      -5.562534      4.399779      4.269344
  H      -3.399611      3.736461      2.919892
  H      -3.575153      5.317972      2.128345
  H      -4.978605      6.607869      1.244873
  H      -6.505340      7.641029     -0.395699
  H      -9.376826      4.363086     -1.921325
  H      -9.691063      1.922825     -1.335590
  H      -8.258256      0.914997      0.440048
  H      -7.068165      0.597026      7.523847
  H      -6.979460      1.252370      5.882794
  H      -6.446784      3.529719      7.396567
  H      -7.630012      2.699684      8.422326
  H      -8.882322      4.127897      6.932433
  H      -9.096873      2.462440      6.296516
  H      -8.206763      5.944600      4.018375
  H      -9.730967      6.252790      2.059169
  H     -11.611362      2.163450      1.127846
  H     -11.262618     -0.181309      2.033755
  H      -9.581285     -0.528065      3.841993
  N      -5.187383      1.885316      4.158686
  N      -6.083507      1.498723      3.290605
  H      -6.162100      2.007903      2.380343
  H      -7.003791      1.256187      3.693248
102
Coordinates from ORCA-job orca E -6484.888689092010
  N      -2.777157      0.570821      4.759468
  Mo     -4.007743      1.968185      5.497183
  N      -5.195457      1.362722      6.959314
  C      -4.663662      1.170069      8.301740
  C      -3.190461      0.812265      8.203707
  N      -2.539835      1.713872      7.223202
  C      -1.312814      1.126005      6.636376
  C      -1.692537      0.080926      5.605039
  C      -2.301948      3.066092      7.776699
  C      -2.260756      4.078614      6.646481
  N      -3.372658      3.862538      5.712945
  H      -0.793826     -0.155625      5.006264
  H      -1.988038     -0.871875      6.092770
  H      -0.766237      1.941430      6.142445
  H      -0.664766      0.706456      7.426753
  H      -2.330363      5.087127      7.094018
  H      -1.287311      4.048541      6.116652
  H      -3.146039      3.304777      8.437770
  H      -1.375892      3.084588      8.379613
  H      -5.201729      0.350790      8.815078
  H      -4.810687      2.073753      8.928082
  H      -3.094018     -0.211777      7.818599
  H      -2.681582      0.865972      9.182548
  C      -2.976102     -0.295857      3.599100
  C      -1.938831     -0.078326      2.480913
  C      -2.329334      1.003985      1.491781
  O      -3.397571      0.435842      0.695328
  C      -4.025645      1.077796     -0.313328
  C      -5.022413      0.336215     -0.943626
  C      -5.759977      0.892463     -1.994576
  N      -5.594593      2.123669     -2.466763
  C      -4.622954      2.868242     -1.871306
  C      -4.419910      4.194772     -2.327973
  C      -3.433218      4.970640     -1.760272
  C      -2.640821      4.412091     -0.735159
  N      -2.796238      3.184642     -0.261403
  C      -3.778017      2.405743     -0.797527
  C      -3.723588      5.143602      5.091218
  C      -4.741637      5.065419      3.968110
  C      -4.114102      4.535906      2.686446
  O      -5.087983      3.899296      1.850609
  C      -5.889996      4.644125      1.062430
  C      -5.751405      5.996963      0.779570
  C      -6.622522      6.577419     -0.161784
  N      -7.581802      5.936983     -0.821116
  C      -7.748069      4.613110     -0.525100
  C      -8.755455      3.862218     -1.179105
  C      -8.924204      2.529373     -0.853655
  C      -8.109957      1.955788      0.139459
  N      -7.148047      2.618912      0.776517
  C      -6.949341      3.921342      0.435295
  C      -6.653937      1.422942      6.913801
  C      -7.245762      2.770389      7.392940
  C      -8.362800      3.260312      6.492339
  O      -7.762451      3.680286      5.241086
  C      -8.621419      3.841254      4.183828
  C      -8.760016      5.098867      3.608521
  C      -9.626174      5.264067      2.516410
  N     -10.363006      4.288917      1.985429
  C     -10.207601      3.040816      2.512454
  C     -10.925387      1.956206      1.950580
  C     -10.727690      0.674652      2.448766
  C      -9.790057      0.481550      3.474112
  N      -9.094076      1.469704      4.047796
  C      -9.316270      2.741847      3.600450
  H      -2.932304     -1.350942      3.934082
  H      -3.983200     -0.136625      3.191824
  H      -0.964923      0.189952      2.920221
  H      -1.783337     -1.015273      1.922186
  H      -1.494881      1.287076      0.837565
  H      -2.688989      1.911685      1.996006
  H      -5.227126     -0.676263     -0.594023
  H      -6.541044      0.291597     -2.471664
  H      -5.070979      4.565669     -3.120871
  H      -3.260101      5.997237     -2.086190
  H      -1.841497      5.006767     -0.279728
  H      -2.798147      5.627961      4.712429
  H      -4.108659      5.814838      5.883565
  H      -5.174542      6.063354      3.802356
  H      -5.563151      4.399734      4.268326
  H      -3.399542      3.736198      2.918605
  H      -3.575518      5.317766      2.127576
  H      -4.979054      6.607538      1.244878
  H      -6.506501      7.641389     -0.394933
  H      -9.378224      4.363824     -1.920809
  H      -9.692175      1.923288     -1.335714
  H      -8.258985      0.915035      0.439223
  H      -7.068449      0.597047      7.522217
  H      -6.979564      1.253589      5.881728
  H      -6.446341      3.529753      7.396696
  H      -7.629314      2.699440      8.422435
  H      -8.881452      4.129102      6.933328
  H      -9.097242      2.463800      6.297226
  H      -8.207078      5.945147      4.018094
  H      -9.731795      6.252963      2.059315
  H     -11.611797      2.163417      1.128669
  H     -11.262628     -0.181336      2.034761
  H      -9.582017     -0.527484      3.843645
  N      -5.186501      1.884877      4.157392
  N      -6.083466      1.498090      3.290218
  H      -6.162332      2.006977      2.379884
  H      -7.003265      1.255066      3.693550
