101
Coordinates from ORCA-job orca E -6429.916884417570
  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
  H      -5.622693      2.478487      2.864492
  H      -4.309063      3.279429      2.232603
101
Coordinates from ORCA-job orca E -6429.943538199899
  N      -2.824712      0.514463      4.687670
  Mo     -3.517213      2.335668      4.851140
  N      -4.847052      1.978222      6.205402
  C      -4.395466      1.778482      7.582972
  C      -2.971197      1.219046      7.600233
  N      -2.131075      1.970852      6.642105
  C      -1.003891      1.156832      6.153848
  C      -1.537420      0.079855      5.189244
  C      -1.630084      3.231521      7.223046
  C      -1.680973      4.271959      6.099651
  N      -2.989443      4.147085      5.482897
  H      -0.808967     -0.065668      4.375807
  H      -1.642718     -0.886370      5.710669
  H      -0.319708      1.823940      5.616958
  H      -0.459984      0.695706      6.991514
  H      -1.506189      5.278150      6.501654
  H      -0.891165      4.064064      5.359619
  H      -2.303617      3.551853      8.025687
  H      -0.618948      3.110017      7.634527
  H      -5.058173      1.073644      8.108527
  H      -4.435026      2.732261      8.137612
  H      -3.008750      0.171483      7.283188
  H      -2.542600      1.260675      8.612343
  C      -3.770440     -0.558681      4.452539
  C      -3.364073     -1.487611      3.284851
  C      -3.295463     -0.757698      1.949960
  O      -4.641643     -0.430218      1.553520
  C      -4.790212     -0.038967      0.240604
  C      -5.547469     -0.806442     -0.625303
  C      -5.716755     -0.368396     -1.950236
  N      -5.192557      0.741328     -2.441349
  C      -4.452611      1.513746     -1.607706
  C      -3.895291      2.727360     -2.077042
  C      -3.170849      3.511819     -1.201270
  C      -3.007476      3.079317      0.120657
  N      -3.498738      1.950671      0.595156
  C      -4.217481      1.168867     -0.240329
  C      -3.908030      5.234930      5.806020
  C      -4.989991      5.465786      4.743371
  C      -4.401117      5.942600      3.406047
  O      -5.125507      5.430384      2.290910
  C      -6.374004      5.851873      1.983929
  C      -6.998194      7.009080      2.413782
  C      -8.262274      7.322851      1.885220
  N      -8.896706      6.607612      0.973506
  C      -8.308249      5.459757      0.554774
  C      -8.932180      4.663195     -0.435612
  C      -8.334978      3.477111     -0.804926
  C      -7.157358      3.077274     -0.150465
  N      -6.522465      3.800612      0.752961
  C      -7.065631      5.001291      1.076885
  C      -6.286998      1.892001      6.065519
  C      -7.069634      3.041472      6.755646
  C      -8.291491      3.467475      5.950502
  O      -7.879214      4.031737      4.694612
  C      -8.832872      3.897468      3.707170
  C      -9.839713      4.835745      3.564011
  C     -10.793202      4.658006      2.554147
  N     -10.805341      3.629871      1.722205
  C      -9.835018      2.693667      1.855182
  C      -9.826063      1.575814      0.994904
  C      -8.838827      0.618686      1.148765
  C      -7.850770      0.812075      2.119339
  N      -7.808390      1.856028      2.941832
  C      -8.794738      2.784230      2.831526
  H      -3.874058     -1.181383      5.362570
  H      -4.750853     -0.119458      4.221313
  H      -2.380110     -1.924312      3.488819
  H      -4.097686     -2.297868      3.202082
  H      -2.846823     -1.403623      1.180464
  H      -2.699374      0.162379      2.036935
  H      -6.001361     -1.728704     -0.276392
  H      -6.308412     -0.958354     -2.649134
  H      -4.064369      3.014370     -3.110300
  H      -2.734265      4.454743     -1.512810
  H      -2.446297      3.672486      0.841725
  H      -3.345039      6.175586      5.918762
  H      -4.406181      5.027093      6.771876
  H      -5.720789      6.196118      5.107212
  H      -5.513045      4.517955      4.571191
  H      -3.398408      5.519192      3.255646
  H      -4.330804      7.038437      3.361222
  H      -6.535837      7.682904      3.126567
  H      -8.773243      8.228278      2.211060
  H      -9.867433      5.002905     -0.867721
  H      -8.773842      2.831955     -1.560083
  H      -6.712948      2.107273     -0.365415
  H      -6.642445      0.935566      6.489261
  H      -6.536250      1.903232      4.987894
  H      -6.412157      3.911631      6.861791
  H      -7.413026      2.736932      7.749988
  H      -8.870432      4.227498      6.497685
  H      -8.943181      2.599961      5.764855
  H      -9.880022      5.697252      4.223006
  H     -11.586757      5.388592      2.409839
  H     -10.600459      1.491874      0.238956
  H      -8.811015     -0.260536      0.512608
  H      -7.033134      0.099616      2.236401
  N      -4.596104      2.684874      3.123069
  H      -5.559978      2.383163      2.948128
  H      -4.258680      3.182520      2.300655
101
Coordinates from ORCA-job orca E -6429.954650577326
  N      -2.866840      0.503267      4.689054
  Mo     -3.563467      2.332788      4.888592
  N      -4.887589      1.986248      6.243116
  C      -4.424453      1.774062      7.622428
  C      -3.008744      1.193227      7.631826
  N      -2.156625      1.943588      6.670337
  C      -1.032058      1.124706      6.161712
  C      -1.571167      0.065889      5.185650
  C      -1.633681      3.202793      7.252870
  C      -1.676110      4.235873      6.125687
  N      -2.998054      4.139306      5.510827
  H      -0.842188     -0.066690      4.368016
  H      -1.676318     -0.911856      5.690152
  H      -0.348238      1.801673      5.629534
  H      -0.480639      0.653505      6.992231
  H      -1.481679      5.244140      6.520074
  H      -0.889833      4.010426      5.384527
  H      -2.297580      3.530649      8.064363
  H      -0.618816      3.064888      7.659208
  H      -5.096942      1.074827      8.146416
  H      -4.450280      2.727949      8.182729
  H      -3.058940      0.145740      7.307683
  H      -2.573711      1.222804      8.644754
  C      -3.803860     -0.585637      4.424735
  C      -3.366619     -1.485657      3.240194
  C      -3.297099     -0.757437      1.903595
  O      -4.656093     -0.470464      1.493479
  C      -4.850299     -0.073753      0.194294
  C      -5.598864     -0.862781     -0.658779
  C      -5.835385     -0.414674     -1.980602
  N      -5.385212      0.730552     -2.480483
  C      -4.653588      1.528713     -1.650881
  C      -4.178317      2.785363     -2.113521
  C      -3.472209      3.597746     -1.247161
  C      -3.236031      3.147668      0.067186
  N      -3.645065      1.981352      0.534116
  C      -4.352888      1.172859     -0.292432
  C      -3.903106      5.253131      5.828566
  C      -4.972361      5.533203      4.763234
  C      -4.350242      6.003555      3.437744
  O      -5.085863      5.536284      2.304655
  C      -6.297118      6.019034      1.990463
  C      -6.863141      7.211763      2.411004
  C      -8.114477      7.586789      1.870037
  N      -8.788916      6.894922      0.957923
  C      -8.250650      5.705122      0.555830
  C      -8.916861      4.913851     -0.415509
  C      -8.386334      3.685780     -0.755978
  C      -7.213763      3.238266     -0.101193
  N      -6.538508      3.953372      0.786190
  C      -7.027779      5.189341      1.086492
  C      -6.334548      1.919803      6.072056
  C      -7.127225      3.076003      6.744094
  C      -8.330257      3.473468      5.906461
  O      -7.863609      3.989554      4.645178
  C      -8.752000      3.792605      3.620869
  C      -9.734928      4.711995      3.315031
  C     -10.611246      4.440984      2.239846
  N     -10.562817      3.340806      1.498190
  C      -9.605498      2.419259      1.801377
  C      -9.516460      1.226723      1.044339
  C      -8.559235      0.290226      1.377289
  C      -7.659198      0.572204      2.427170
  N      -7.679993      1.689059      3.147270
  C      -8.649964      2.600007      2.855777
  H      -3.898577     -1.219677      5.328564
  H      -4.794599     -0.163947      4.198339
  H      -2.370510     -1.903006      3.453900
  H      -4.081830     -2.317359      3.144849
  H      -2.823699     -1.393563      1.137223
  H      -2.725905      0.178892      1.994925
  H      -6.000042     -1.815137     -0.306765
  H      -6.425359     -1.033729     -2.665628
  H      -4.401295      3.082684     -3.140199
  H      -3.101942      4.578200     -1.550116
  H      -2.687854      3.768109      0.786235
  H      -3.308414      6.175550      5.948187
  H      -4.406425      5.053590      6.794816
  H      -5.677724      6.288754      5.137199
  H      -5.538524      4.608940      4.566978
  H      -3.363499      5.541656      3.284749
  H      -4.231841      7.100072      3.409820
  H      -6.364759      7.869346      3.124806
  H      -8.576513      8.527092      2.192254
  H      -9.844503      5.289926     -0.849914
  H      -8.878590      3.037763     -1.485302
  H      -6.816710      2.234709     -0.296812
  H      -6.697427      0.962071      6.487747
  H      -6.565524      1.932185      4.982246
  H      -6.468095      3.950447      6.855839
  H      -7.495048      2.785057      7.739430
  H      -8.936194      4.243840      6.413881
  H      -8.967831      2.590939      5.724681
  H      -9.818537      5.637821      3.886473
  H     -11.385207      5.165591      1.967492
  H     -10.210605      1.079966      0.214972
  H      -8.475188     -0.647093      0.823691
  H      -6.865807     -0.134180      2.683437
  N      -4.640560      2.685350      3.253465
  H      -5.611851      2.390876      3.103160
  H      -4.320637      3.185123      2.427300
101
Coordinates from ORCA-job orca E -6429.963598040880
  N      -2.863899      0.521635      4.693856
  Mo     -3.567386      2.357067      4.906519
  N      -4.886363      2.025804      6.261189
  C      -4.417641      1.810224      7.640252
  C      -3.008566      1.216053      7.649874
  N      -2.146258      1.959355      6.686990
  C      -1.024591      1.133611      6.173133
  C      -1.567595      0.082185      5.196829
  C      -1.612010      3.225278      7.258656
  C      -1.644758      4.244709      6.118941
  N      -2.971887      4.159041      5.503911
  H      -0.836624     -0.052183      4.380407
  H      -1.678264     -0.898501      5.696273
  H      -0.339276      1.812773      5.643633
  H      -0.471058      0.662460      7.003361
  H      -1.441294      5.257950      6.498634
  H      -0.858616      4.004551      5.382173
  H      -2.272674      3.562432      8.070343
  H      -0.597729      3.080605      7.667225
  H      -5.098449      1.117510      8.163689
  H      -4.437216      2.765737      8.198941
  H      -3.063093      0.168286      7.324255
  H      -2.572938      1.241950      8.663496
  C      -3.798776     -0.571619      4.415596
  C      -3.342790     -1.470634      3.244935
  C      -3.254486     -0.759041      1.906626
  O      -4.610277     -0.489010      1.461004
  C      -4.765119     -0.100602      0.161985
  C      -5.482201     -0.896176     -0.709761
  C      -5.683059     -0.455859     -2.043485
  N      -5.229442      0.689639     -2.540524
  C      -4.529439      1.496993     -1.687615
  C      -4.061859      2.760039     -2.140137
  C      -3.403804      3.592093     -1.258775
  C      -3.199574      3.151515      0.071438
  N      -3.594139      1.975964      0.530533
  C      -4.262532      1.150951     -0.317475
  C      -3.881139      5.272025      5.807853
  C      -4.939479      5.497381      4.730232
  C      -4.304752      5.931457      3.407120
  O      -5.012343      5.407089      2.273668
  C      -6.237775      5.848956      1.975269
  C      -6.833153      7.005060      2.455442
  C      -8.105695      7.368186      1.951555
  N      -8.776561      6.709618      1.013239
  C      -8.207842      5.553348      0.549165
  C      -8.877215      4.792323     -0.442412
  C      -8.340827      3.587074     -0.838238
  C      -7.144112      3.132047     -0.228303
  N      -6.458367      3.820962      0.675905
  C      -6.964402      5.036078      1.038989
  C      -6.334453      1.972340      6.073507
  C      -7.120934      3.118201      6.757195
  C      -8.347225      3.502420      5.951869
  O      -7.942881      4.043952      4.672232
  C      -8.890802      3.861208      3.702836
  C      -9.909463      4.766743      3.501853
  C     -10.867534      4.510375      2.487614
  N     -10.853391      3.445761      1.695930
  C      -9.841100      2.547097      1.877835
  C      -9.756978      1.413709      1.030735
  C      -8.741154      0.504874      1.220488
  C      -7.773497      0.754365      2.224760
  N      -7.787395      1.816279      3.023159
  C      -8.813940      2.702898      2.869605
  H      -3.898732     -1.198073      5.323566
  H      -4.790256     -0.155678      4.182505
  H      -2.346087     -1.881325      3.477617
  H      -4.049295     -2.312091      3.149415
  H      -2.761729     -1.400518      1.156655
  H      -2.694033      0.184270      1.995270
  H      -5.886935     -1.852258     -0.366750
  H      -6.247720     -1.089705     -2.738571
  H      -4.261009      3.048796     -3.176064
  H      -3.049598      4.582710     -1.556862
  H      -2.700886      3.795319      0.809192
  H      -3.287007      6.196957      5.915767
  H      -4.387328      5.089686      6.775771
  H      -5.664552      6.248215      5.078353
  H      -5.489718      4.560559      4.549721
  H      -3.304411      5.490160      3.289363
  H      -4.210970      7.030730      3.345137
  H      -6.342285      7.642147      3.195568
  H      -8.583545      8.280834      2.330309
  H      -9.824137      5.168167     -0.838886
  H      -8.852059      2.952525     -1.569262
  H      -6.746837      2.139995     -0.472655
  H      -6.690688      1.008492      6.481176
  H      -6.566684      1.992838      4.987557
  H      -6.463322      3.995802      6.872633
  H      -7.473162      2.820122      7.758303
  H      -8.948058      4.256782      6.489634
  H      -8.980958      2.613392      5.782457
  H      -9.964521      5.677288      4.104999
  H     -11.674285      5.231004      2.309993
  H     -10.495208      1.304669      0.231736
  H      -8.653292     -0.382444      0.587842
  H      -6.928731      0.070166      2.354384
  N      -4.631953      2.701864      3.337832
  H      -5.610445      2.413051      3.204308
  H      -4.318677      3.198563      2.497811
101
Coordinates from ORCA-job orca E -6429.969006337903
  N      -2.898719      0.499798      4.685186
  Mo     -3.609804      2.330863      4.909483
  N      -4.911722      2.030397      6.286888
  C      -4.434129      1.830194      7.660893
  C      -3.032196      1.223190      7.663538
  N      -2.171454      1.946134      6.688573
  C      -1.062120      1.108232      6.174854
  C      -1.611138      0.055831      5.201681
  C      -1.629092      3.217541      7.232619
  C      -1.650181      4.210227      6.070324
  N      -2.976007      4.136430      5.457768
  H      -0.876870     -0.088874      4.390864
  H      -1.731622     -0.922272      5.702111
  H      -0.374876      1.780806      5.643041
  H      -0.507741      0.641155      7.005411
  H      -1.432337      5.228772      6.425029
  H      -0.868694      3.945360      5.338937
  H      -2.285563      3.574524      8.037412
  H      -0.617868      3.070472      7.644092
  H      -5.117972      1.152375      8.198801
  H      -4.440504      2.792571      8.205026
  H      -3.094619      0.173668      7.348801
  H      -2.589519      1.256285      8.672567
  C      -3.828878     -0.584993      4.378056
  C      -3.362755     -1.475226      3.211757
  C      -3.263878     -0.754913      1.881335
  O      -4.614689     -0.489271      1.420094
  C      -4.740482     -0.089056      0.122036
  C      -5.449350     -0.872910     -0.767263
  C      -5.621514     -0.426695     -2.097972
  N      -5.148477      0.712491     -2.579864
  C      -4.460829      1.509116     -1.711373
  C      -3.978949      2.766142     -2.153664
  C      -3.341400      3.596739     -1.259961
  C      -3.170714      3.158328      0.074068
  N      -3.572312      1.982759      0.524398
  C      -4.223932      1.161762     -0.339763
  C      -3.857982      5.271686      5.765085
  C      -4.921596      5.534258      4.705237
  C      -4.289967      5.975398      3.386798
  O      -5.000470      5.458256      2.249655
  C      -6.235931      5.894714      1.954716
  C      -6.840941      7.044906      2.434902
  C      -8.117063      7.394150      1.939189
  N      -8.788294      6.728779      1.011762
  C      -8.215052      5.576971      0.552082
  C      -8.890094      4.799715     -0.420659
  C      -8.350071      3.593820     -0.806875
  C      -7.144291      3.159397     -0.209649
  N      -6.456693      3.863291      0.676815
  C      -6.965979      5.074544      1.031602
  C      -6.357245      1.991392      6.112304
  C      -7.114466      3.155188      6.789672
  C      -8.350610      3.528913      5.996151
  O      -7.951618      4.043123      4.701728
  C      -8.896947      3.833692      3.731526
  C      -9.919598      4.730217      3.511512
  C     -10.875802      4.448177      2.508438
  N     -10.859154      3.370218      1.740978
  C      -9.838613      2.486526      1.930964
  C      -9.744658      1.347491      1.095504
  C      -8.714215      0.454429      1.286808
  C      -7.748932      0.725209      2.282335
  N      -7.774958      1.793311      3.069488
  C      -8.812148      2.665134      2.914133
  H      -3.944361     -1.216274      5.280318
  H      -4.815128     -0.163044      4.138077
  H      -2.371221     -1.889420      3.449950
  H      -4.063563     -2.317872      3.107736
  H      -2.762142     -1.390842      1.134660
  H      -2.711357      0.191849      1.976707
  H      -5.866042     -1.825696     -0.439398
  H      -6.174963     -1.053058     -2.803911
  H      -4.153726      3.053034     -3.191481
  H      -2.982495      4.583394     -1.555133
  H      -2.702914      3.806751      0.822690
  H      -3.235847      6.176880      5.874314
  H      -4.357097      5.102687      6.738250
  H      -5.626876      6.291768      5.073128
  H      -5.494020      4.616013      4.519614
  H      -3.293711      5.528518      3.273424
  H      -4.186657      7.071693      3.327986
  H      -6.353811      7.687774      3.166546
  H      -8.597811      8.301551      2.318043
  H      -9.843000      5.161690     -0.807762
  H      -8.865332      2.944650     -1.516468
  H      -6.738356      2.173571     -0.451056
  H      -6.722391      1.034776      6.529045
  H      -6.596717      2.004150      5.035178
  H      -6.450725      4.028331      6.879540
  H      -7.447700      2.879827      7.801602
  H      -8.942254      4.295814      6.523298
  H      -8.989953      2.641442      5.850468
  H      -9.976637      5.652627      4.090130
  H     -11.685414      5.158849      2.322314
  H     -10.479641      1.227143      0.298455
  H      -8.613419     -0.433237      0.661892
  H      -6.895592      0.054001      2.412812
  N      -4.695094      2.660502      3.347976
  H      -5.680114      2.379161      3.229264
  H      -4.386828      3.127760      2.485659
101
Coordinates from ORCA-job orca E -6429.972940635173
  N      -2.898385      0.484147      4.695861
  Mo     -3.637580      2.303360      4.937546
  N      -4.926069      2.025834      6.330059
  C      -4.445083      1.840149      7.702819
  C      -3.047354      1.226160      7.703872
  N      -2.184958      1.935774      6.722266
  C      -1.078283      1.094686      6.209700
  C      -1.619080      0.043084      5.233478
  C      -1.643343      3.217270      7.240378
  C      -1.649723      4.179248      6.053814
  N      -2.972788      4.112688      5.434920
  H      -0.873996     -0.105817      4.433024
  H      -1.747375     -0.935514      5.731728
  H      -0.389932      1.768342      5.681295
  H      -0.522748      0.631682      7.041947
  H      -1.421532      5.204891      6.381062
  H      -0.867035      3.889018      5.333929
  H      -2.302158      3.591960      8.034777
  H      -0.635707      3.072914      7.662078
  H      -5.131943      1.172754      8.250418
  H      -4.445271      2.808775      8.235411
  H      -3.111010      0.174604      7.395620
  H      -2.602499      1.264562      8.712142
  C      -3.811567     -0.603765      4.353146
  C      -3.324971     -1.473510      3.184806
  C      -3.230753     -0.738202      1.864165
  O      -4.588443     -0.493448      1.405506
  C      -4.725224     -0.076446      0.114776
  C      -5.439201     -0.857612     -0.773993
  C      -5.630441     -0.405078     -2.097704
  N      -5.171624      0.739645     -2.575834
  C      -4.483655      1.535548     -1.707292
  C      -4.021171      2.798395     -2.149699
  C      -3.391096      3.636803     -1.259973
  C      -3.210063      3.200239      0.073849
  N      -3.586181      2.015607      0.523803
  C      -4.228961      1.185566     -0.340846
  C      -3.837587      5.266860      5.735693
  C      -4.907801      5.544696      4.688451
  C      -4.277975      5.963552      3.363258
  O      -4.991122      5.436387      2.229019
  C      -6.226696      5.881815      1.936320
  C      -6.818564      7.039362      2.415240
  C      -8.091199      7.403348      1.923626
  N      -8.776237      6.742861      1.004563
  C      -8.217906      5.582638      0.547899
  C      -8.905951      4.809795     -0.419154
  C      -8.377343      3.600371     -0.811574
  C      -7.171362      3.157212     -0.224790
  N      -6.475125      3.855673      0.658657
  C      -6.971099      5.069089      1.018656
  C      -6.369960      1.997610      6.148040
  C      -7.112613      3.180416      6.802345
  C      -8.349004      3.542439      6.003684
  O      -7.938236      4.030546      4.699327
  C      -8.876715      3.817797      3.722319
  C      -9.897196      4.715122      3.496170
  C     -10.853047      4.432004      2.494405
  N     -10.842972      3.349737      1.735240
  C      -9.820424      2.468270      1.924585
  C      -9.733244      1.324140      1.095479
  C      -8.697295      0.435197      1.278931
  C      -7.725688      0.712001      2.265658
  N      -7.751261      1.780726      3.050400
  C      -8.791004      2.650257      2.902355
  H      -3.935660     -1.243900      5.248548
  H      -4.798989     -0.187155      4.108697
  H      -2.331285     -1.881656      3.424098
  H      -4.010385     -2.327206      3.070185
  H      -2.718581     -1.359455      1.112323
  H      -2.697777      0.218741      1.965606
  H      -5.843452     -1.816834     -0.450520
  H      -6.185701     -1.034073     -2.799768
  H      -4.205606      3.082851     -3.186237
  H      -3.049056      4.626603     -1.562916
  H      -2.759470      3.860120      0.821836
  H      -3.192598      6.157004      5.834527
  H      -4.327450      5.118586      6.717156
  H      -5.594819      6.314825      5.064492
  H      -5.503044      4.639345      4.515470
  H      -3.286007      5.505124      3.264431
  H      -4.161482      7.056628      3.283722
  H      -6.321048      7.679628      3.141258
  H      -8.556347      8.318171      2.304059
  H      -9.856434      5.181416     -0.802421
  H      -8.898924      2.958473     -1.521838
  H      -6.769977      2.172687     -0.479028
  H      -6.748141      1.047525      6.569583
  H      -6.600510      1.998962      5.072320
  H      -6.444563      4.051460      6.873038
  H      -7.439836      2.931970      7.823313
  H      -8.938755      4.323108      6.511520
  H      -8.993631      2.656972      5.872826
  H      -9.954897      5.638367      4.071961
  H     -11.662729      5.143759      2.312778
  H     -10.477500      1.198752      0.308038
  H      -8.596976     -0.454486      0.657408
  H      -6.871439      0.040745      2.391483
  N      -4.737255      2.612919      3.392989
  H      -5.729428      2.339693      3.290994
  H      -4.437625      3.053713      2.512268
101
Coordinates from ORCA-job orca E -6429.976139853165
  N      -2.919300      0.482872      4.694735
  Mo     -3.665322      2.295839      4.952140
  N      -4.944370      2.042758      6.359941
  C      -4.461643      1.863547      7.731696
  C      -3.072701      1.233084      7.728791
  N      -2.206057      1.925879      6.741724
  C      -1.109573      1.071728      6.231067
  C      -1.655085      0.026757      5.253809
  C      -1.655168      3.211003      7.238946
  C      -1.638305      4.149195      6.034290
  N      -2.958357      4.099293      5.406268
  H      -0.901041     -0.138439      4.464547
  H      -1.805031     -0.948857      5.753040
  H      -0.411143      1.737053      5.705310
  H      -0.559497      0.604032      7.064830
  H      -1.391630      5.177074      6.341073
  H      -0.856430      3.831370      5.325125
  H      -2.315195      3.606438      8.022275
  H      -0.652570      3.061919      7.672368
  H      -5.153771      1.208148      8.287571
  H      -4.448848      2.836075      8.257437
  H      -3.148017      0.180982      7.423617
  H      -2.624276      1.269337      8.736274
  C      -3.829536     -0.597628      4.319150
  C      -3.329956     -1.455797      3.149643
  C      -3.228449     -0.708971      1.836265
  O      -4.586616     -0.469119      1.371871
  C      -4.717288     -0.036771      0.085365
  C      -5.442535     -0.802566     -0.808912
  C      -5.625564     -0.342414     -2.130426
  N      -5.146023      0.797029     -2.602058
  C      -4.448535      1.578274     -1.727448
  C      -3.963037      2.834404     -2.165642
  C      -3.327551      3.663516     -1.270454
  C      -3.167009      3.225026      0.065238
  N      -3.559597      2.043651      0.510483
  C      -4.204982      1.221535     -0.361084
  C      -3.802644      5.271621      5.700423
  C      -4.876431      5.556582      4.658573
  C      -4.252324      5.951622      3.322473
  O      -4.968960      5.408561      2.196893
  C      -6.208030      5.854915      1.916642
  C      -6.791527      7.012053      2.407216
  C      -8.069986      7.381587      1.935743
  N      -8.771191      6.723364      1.027105
  C      -8.221794      5.563347      0.558576
  C      -8.928956      4.792908     -0.397036
  C      -8.408131      3.584641     -0.804897
  C      -7.189060      3.141768     -0.246726
  N      -6.477319      3.837463      0.626945
  C      -6.966419      5.047745      1.005376
  C      -6.390336      2.025264      6.182547
  C      -7.120023      3.224139      6.821288
  C      -8.365641      3.571794      6.030213
  O      -7.957964      4.030143      4.713613
  C      -8.893457      3.794348      3.739915
  C      -9.922709      4.679512      3.501805
  C     -10.876658      4.375206      2.504990
  N     -10.857527      3.282470      1.760771
  C      -9.824086      2.415109      1.958320
  C      -9.725519      1.263002      1.141443
  C      -8.676371      0.389709      1.329218
  C      -7.706362      0.688568      2.310602
  N      -7.745474      1.764016      3.085511
  C      -8.795528      2.619947      2.932482
  H      -3.972692     -1.246277      5.206075
  H      -4.812023     -0.173911      4.066185
  H      -2.338897     -1.868939      3.393147
  H      -4.011270     -2.311255      3.022771
  H      -2.709291     -1.321978      1.082188
  H      -2.703481      0.251303      1.945775
  H      -5.859935     -1.758410     -0.490886
  H      -6.189220     -0.961523     -2.835471
  H      -4.134437      3.120808     -3.204231
  H      -2.968319      4.646536     -1.576352
  H      -2.722351      3.881806      0.819150
  H      -3.139051      6.149363      5.787212
  H      -4.286743      5.144090      6.688027
  H      -5.549054      6.338144      5.038010
  H      -5.488970      4.659175      4.500864
  H      -3.261179      5.488033      3.234115
  H      -4.132211      7.042272      3.218953
  H      -6.282258      7.649694      3.128193
  H      -8.525576      8.297370      2.326841
  H      -9.886939      5.166202     -0.760303
  H      -8.944027      2.944457     -1.506685
  H      -6.790213      2.160408     -0.517930
  H      -6.778359      1.082922      6.612997
  H      -6.622570      2.014349      5.107643
  H      -6.450140      4.095690      6.863416
  H      -7.430368      3.001132      7.853742
  H      -8.950594      4.365577      6.522900
  H      -9.013500      2.685954      5.920653
  H      -9.988483      5.610035      4.065529
  H     -11.693307      5.078268      2.317474
  H     -10.471010      1.121332      0.357702
  H      -8.564121     -0.504467      0.715679
  H      -6.842387      0.029685      2.439846
  N      -4.770525      2.604128      3.406183
  H      -5.771227      2.351980      3.310968
  H      -4.464036      3.015007      2.512589
101
Coordinates from ORCA-job orca E -6429.978903476198
  N      -2.898735      0.476714      4.709971
  Mo     -3.669206      2.275998      4.971817
  N      -4.946251      2.039236      6.386574
  C      -4.469534      1.872837      7.761735
  C      -3.082987      1.239144      7.765707
  N      -2.212695      1.921265      6.775993
  C      -1.114541      1.062260      6.277032
  C      -1.650718      0.015418      5.300115
  C      -1.668121      3.216650      7.251921
  C      -1.628664      4.128218      6.028649
  N      -2.940913      4.079285      5.382275
  H      -0.882362     -0.166496      4.528231
  H      -1.820381     -0.954646      5.804811
  H      -0.407719      1.722657      5.756373
  H      -0.572002      0.596442      7.117141
  H      -1.375988      5.160358      6.316020
  H      -0.840560      3.790849      5.335547
  H      -2.339587      3.628537      8.016967
  H      -0.672825      3.075409      7.705606
  H      -5.164301      1.224456      8.322659
  H      -4.455645      2.849917      8.279083
  H      -3.159383      0.185395      7.465479
  H      -2.637201      1.278867      8.774771
  C      -3.797585     -0.604528      4.304379
  C      -3.283297     -1.442735      3.129084
  C      -3.197130     -0.677386      1.825880
  O      -4.565112     -0.449474      1.379644
  C      -4.720039      0.001126      0.102663
  C      -5.478546     -0.746997     -0.779471
  C      -5.687752     -0.275427     -2.093065
  N      -5.200222      0.859782     -2.568807
  C      -4.471041      1.624024     -1.704727
  C      -3.971702      2.872953     -2.149398
  C      -3.303769      3.688404     -1.264925
  C      -3.129410      3.245695      0.067715
  N      -3.532625      2.069363      0.517986
  C      -4.204036      1.257408     -0.344856
  C      -3.781181      5.258080      5.668673
  C      -4.859635      5.543168      4.631434
  C      -4.243250      5.924642      3.287372
  O      -4.961315      5.371543      2.166695
  C      -6.199985      5.824921      1.893731
  C      -6.770623      6.985931      2.391326
  C      -8.049640      7.369193      1.931696
  N      -8.765866      6.717427      1.029869
  C      -8.229845      5.553895      0.553837
  C      -8.954072      4.792804     -0.396216
  C      -8.445933      3.584291     -0.818672
  C      -7.220533      3.132249     -0.281064
  N      -6.494237      3.818228      0.588780
  C      -6.971775      5.027808      0.984200
  C      -6.392977      2.025531      6.202435
  C      -7.115011      3.241975      6.813617
  C      -8.363151      3.580575      6.021979
  O      -7.956887      4.012185      4.694553
  C      -8.896690      3.773524      3.726519
  C      -9.928466      4.658392      3.495327
  C     -10.890593      4.355135      2.505689
  N     -10.878804      3.261377      1.762295
  C      -9.842000      2.395528      1.950366
  C      -9.752537      1.242209      1.133887
  C      -8.699057      0.371595      1.307384
  C      -7.717260      0.672481      2.276777
  N      -7.750592      1.746721      3.053883
  C      -8.803494      2.601605      2.915117
  H      -3.951840     -1.264580      5.180908
  H      -4.778828     -0.181713      4.045803
  H      -2.288518     -1.851252      3.366519
  H      -3.953999     -2.305383      2.992603
  H      -2.677470     -1.273214      1.058518
  H      -2.686229      0.289157      1.942751
  H      -5.900493     -1.699948     -0.457776
  H      -6.277923     -0.881999     -2.787451
  H      -4.155995      3.163152     -3.184942
  H      -2.929883      4.662735     -1.582096
  H      -2.662957      3.895261      0.814547
  H      -3.110673      6.131493      5.746422
  H      -4.260093      5.143680      6.660452
  H      -5.522479      6.330644      5.016454
  H      -5.482855      4.650229      4.484698
  H      -3.250932      5.461755      3.205892
  H      -4.125182      7.013859      3.167517
  H      -6.250005      7.618487      3.108821
  H      -8.491685      8.289188      2.328851
  H      -9.913792      5.175194     -0.745857
  H      -8.994143      2.952629     -1.519131
  H      -6.828735      2.152903     -0.569406
  H      -6.791954      1.093109      6.644059
  H      -6.618324      1.996775      5.126176
  H      -6.441522      4.112124      6.828464
  H      -7.415754      3.047664      7.855020
  H      -8.939991      4.389157      6.499681
  H      -9.018832      2.698437      5.930288
  H      -9.990559      5.588430      4.060949
  H     -11.708709      5.059147      2.327053
  H     -10.509685      1.098228      0.361640
  H      -8.591606     -0.522388      0.692372
  H      -6.849819      0.015875      2.393679
  N      -4.765147      2.568609      3.416652
  H      -5.769936      2.328563      3.320284
  H      -4.444661      2.947618      2.513377
101
Coordinates from ORCA-job orca E -6429.981347746691
  N      -2.913696      0.469826      4.719446
  Mo     -3.688585      2.262212      4.987326
  N      -4.958622      2.050032      6.415422
  C      -4.482067      1.892226      7.791963
  C      -3.102436      1.245348      7.795975
  N      -2.230360      1.909993      6.797027
  C      -1.140350      1.036227      6.306071
  C      -1.684420     -0.009815      5.335109
  C      -1.677738      3.209599      7.250337
  C      -1.614258      4.094997      6.010253
  N      -2.922501      4.057421      5.352571
  H      -0.908813     -0.218361      4.577283
  H      -1.882224     -0.970427      5.848104
  H      -0.422143      1.683973      5.785167
  H      -0.606019      0.567823      7.150232
  H      -1.344787      5.127993      6.278959
  H      -0.827961      3.732163      5.328090
  H      -2.353580      3.644134      7.999060
  H      -0.689156      3.068683      7.719475
  H      -5.180684      1.255384      8.361190
  H      -4.457517      2.873300      8.301368
  H      -3.191638      0.190645      7.502107
  H      -2.652048      1.285268      8.803251
  C      -3.811026     -0.603091      4.282233
  C      -3.278202     -1.421941      3.101790
  C      -3.186595     -0.636723      1.810068
  O      -4.554789     -0.413195      1.357867
  C      -4.711399      0.053159      0.087176
  C      -5.482023     -0.682043     -0.795657
  C      -5.687606     -0.204827     -2.108163
  N      -5.183009      0.924154     -2.583205
  C      -4.443424      1.676762     -1.717636
  C      -3.923194      2.917519     -2.162754
  C      -3.244857      3.723958     -1.277527
  C      -3.086355      3.283282      0.057599
  N      -3.509309      2.114019      0.508721
  C      -4.183729      1.306341     -0.356480
  C      -3.746688      5.250874      5.630781
  C      -4.832208      5.540389      4.602057
  C      -4.228175      5.892454      3.244088
  O      -4.960403      5.326055      2.139162
  C      -6.199851      5.782743      1.875092
  C      -6.764026      6.944664      2.379179
  C      -8.046783      7.332273      1.932515
  N      -8.774193      6.681860      1.038162
  C      -8.243874      5.518658      0.554166
  C      -8.980348      4.761917     -0.389652
  C      -8.477351      3.556329     -0.825601
  C      -7.242669      3.103501     -0.308315
  N      -6.505021      3.784935      0.555722
  C      -6.979732      4.990675      0.967729
  C      -6.406994      2.047488      6.234585
  C      -7.113977      3.281820      6.825511
  C      -8.366705      3.612490      6.039794
  O      -7.964646      4.012175      4.701177
  C      -8.908941      3.761231      3.742514
  C      -9.951886      4.634190      3.514450
  C     -10.917603      4.317219      2.531828
  N     -10.898834      3.220215      1.792158
  C      -9.850865      2.366759      1.977039
  C      -9.754738      1.210179      1.165751
  C      -8.689529      0.353495      1.334072
  C      -7.703758      0.669343      2.295958
  N      -7.744832      1.744817      3.070714
  C      -8.807903      2.587838      2.935151
  H      -3.984891     -1.276032      5.144750
  H      -4.785936     -0.172940      4.012165
  H      -2.284362     -1.831096      3.342628
  H      -3.943310     -2.286165      2.946555
  H      -2.658428     -1.217021      1.036795
  H      -2.684614      0.331716      1.943721
  H      -5.912788     -1.631830     -0.475572
  H      -6.287185     -0.801808     -2.802867
  H      -4.098166      3.207528     -3.200145
  H      -2.850665      4.689161     -1.599116
  H      -2.614835      3.928462      0.805164
  H      -3.063150      6.115881      5.688967
  H      -4.216161      5.158359      6.629272
  H      -5.474556      6.344120      4.988954
  H      -5.474204      4.658332      4.475649
  H      -3.239329      5.421884      3.163122
  H      -4.104531      6.978356      3.101326
  H      -6.236453      7.575374      3.093218
  H      -8.482163      8.253256      2.335016
  H      -9.944476      5.146714     -0.724955
  H      -9.034142      2.928958     -1.523498
  H      -6.853071      2.127643     -0.610573
  H      -6.816883      1.126796      6.689904
  H      -6.633494      2.003667      5.158046
  H      -6.434253      4.147539      6.808063
  H      -7.400143      3.116283      7.876055
  H      -8.932485      4.436388      6.504472
  H      -9.030276      2.734138      5.969906
  H     -10.020242      5.565413      4.077965
  H     -11.744288      5.012115      2.356023
  H     -10.518538      1.052250      0.402522
  H      -8.576484     -0.542177      0.722156
  H      -6.828073      0.023543      2.409808
  N      -4.775697      2.548616      3.425717
  H      -5.785195      2.331649      3.330398
  H      -4.436081      2.889944      2.514636
101
Coordinates from ORCA-job orca E -6429.983496832742
  N      -2.907478      0.460514      4.737508
  Mo     -3.693344      2.243554      5.003823
  N      -4.961393      2.050935      6.439484
  C      -4.489904      1.904787      7.818970
  C      -3.113077      1.252579      7.829509
  N      -2.240000      1.903050      6.822920
  C      -1.151855      1.020002      6.345345
  C      -1.697231     -0.030750      5.381779
  C      -1.687822      3.208827      7.256105
  C      -1.601177      4.068952      6.000636
  N      -2.902287      4.033878      5.327586
  H      -0.913320     -0.265192      4.640460
  H      -1.920541     -0.979763      5.905904
  H      -0.425196      1.657840      5.824562
  H      -0.626166      0.553438      7.195903
  H      -1.322704      5.103548      6.253422
  H      -0.812894      3.686768      5.331791
  H      -2.373841      3.662258      7.984083
  H      -0.707700      3.074784      7.744960
  H      -5.191466      1.276171      8.393522
  H      -4.462343      2.890070      8.319754
  H      -3.209119      0.196244      7.543732
  H      -2.661099      1.296846      8.835790
  C      -3.797860     -0.608433      4.272873
  C      -3.247721     -1.402185      3.083094
  C      -3.167851     -0.593443      1.804859
  O      -4.540387     -0.381593      1.359942
  C      -4.712360      0.099446      0.097511
  C      -5.506701     -0.621077     -0.776853
  C      -5.725202     -0.135955     -2.083837
  N      -5.209488      0.986257     -2.562860
  C      -4.447412      1.724974     -1.705466
  C      -3.909831      2.955642     -2.157063
  C      -3.204513      3.748664     -1.280957
  C      -3.041476      3.307559      0.052940
  N      -3.482888      2.147451      0.510416
  C      -4.176935      1.348733     -0.347695
  C      -3.718520      5.235232      5.595962
  C      -4.811127      5.523614      4.573744
  C      -4.219957      5.856752      3.205123
  O      -4.966983      5.285802      2.113190
  C      -6.204635      5.751092      1.855665
  C      -6.760110      6.913883      2.367520
  C      -8.043585      7.309816      1.931172
  N      -8.781087      6.665360      1.041048
  C      -8.258858      5.502686      0.547705
  C      -9.006557      4.754112     -0.393682
  C      -8.510147      3.551375     -0.844087
  C      -7.269750      3.094338     -0.344422
  N      -6.522674      3.767005      0.517710
  C      -6.992447      4.968783      0.946784
  C      -6.409644      2.055708      6.255883
  C      -7.105950      3.307156      6.822219
  C      -8.361792      3.630616      6.038567
  O      -7.964121      3.997224      4.689275
  C      -8.916769      3.742585      3.740128
  C      -9.966830      4.610067      3.522507
  C     -10.938197      4.290345      2.546971
  N     -10.919233      3.195054      1.804699
  C      -9.866293      2.346411      1.980294
  C      -9.772846      1.190010      1.168554
  C      -8.702640      0.338098      1.327032
  C      -7.710122      0.657319      2.280794
  N      -7.749340      1.731398      3.057436
  C      -8.816362      2.570867      2.930407
  H      -3.982516     -1.296831      5.120253
  H      -4.769491     -0.176212      3.995994
  H      -2.249424     -1.802239      3.319174
  H      -3.901036     -2.272373      2.911936
  H      -2.634187     -1.152183      1.019863
  H      -2.679564      0.379404      1.954798
  H      -5.943306     -1.567017     -0.454006
  H      -6.343952     -0.720451     -2.771981
  H      -4.090552      3.247666     -3.192707
  H      -2.791296      4.703297     -1.609860
  H      -2.547760      3.944004      0.793132
  H      -3.029330      6.096956      5.636321
  H      -4.179658      5.160164      6.599644
  H      -5.437142      6.339507      4.961908
  H      -5.466439      4.649410      4.462990
  H      -3.234329      5.380651      3.118992
  H      -4.093321      6.940589      3.049576
  H      -6.225965      7.539224      3.081124
  H      -8.471567      8.231494      2.339421
  H      -9.972751      5.144048     -0.716382
  H      -9.074306      2.930992     -1.541974
  H      -6.883266      2.122031     -0.661002
  H      -6.829897      1.146992      6.725406
  H      -6.632413      1.995193      5.179262
  H      -6.420401      4.167135      6.774509
  H      -7.381295      3.170487      7.879469
  H      -8.915488      4.469928      6.489866
  H      -9.034333      2.757698      5.990833
  H     -10.035817      5.539246      4.088992
  H     -11.769690      4.980877      2.378109
  H     -10.544283      1.027421      0.414205
  H      -8.591685     -0.556851      0.713989
  H      -6.830397      0.015955      2.387016
  N      -4.764609      2.516207      3.428490
  H      -5.778062      2.320096      3.329748
  H      -4.400516      2.817016      2.512100
101
Coordinates from ORCA-job orca E -6429.985354179813
  N      -2.917063      0.446225      4.756935
  Mo     -3.708535      2.222938      5.024318
  N      -4.970015      2.054305      6.470896
  C      -4.499724      1.919527      7.851775
  C      -3.127245      1.258725      7.865404
  N      -2.255300      1.892002      6.847065
  C      -1.172468      0.997213      6.379859
  C      -1.725325     -0.057830      5.426921
  C      -1.697810      3.201795      7.259103
  C      -1.589723      4.034818      5.987922
  N      -2.886576      4.005769      5.304816
  H      -0.936701     -0.319930      4.700218
  H      -1.974577     -0.993399      5.963484
  H      -0.439120      1.623805      5.855298
  H      -0.653004      0.532635      7.235332
  H      -1.297908      5.069939      6.223086
  H      -0.803547      3.629672      5.330587
  H      -2.390401      3.676535      7.967107
  H      -0.725473      3.072159      7.764839
  H      -5.204565      1.301171      8.433394
  H      -4.465672      2.909229      8.343259
  H      -3.233847      0.200625      7.589696
  H      -2.669426      1.307982      8.868689
  C      -3.797239     -0.618997      4.260130
  C      -3.222444     -1.381253      3.060629
  C      -3.148905     -0.546427      1.798494
  O      -4.522055     -0.355960      1.345660
  C      -4.700376      0.133787      0.088421
  C      -5.489772     -0.590717     -0.787793
  C      -5.705308     -0.109312     -2.096129
  N      -5.190690      1.012981     -2.576106
  C      -4.436549      1.757179     -1.716585
  C      -3.897956      2.986011     -2.171070
  C      -3.196972      3.783444     -1.295760
  C      -3.044331      3.351503      0.042143
  N      -3.490730      2.194858      0.504267
  C      -4.173392      1.387485     -0.355243
  C      -3.688074      5.219846      5.561883
  C      -4.788894      5.510070      4.548929
  C      -4.211593      5.816217      3.167992
  O      -4.979689      5.241850      2.093820
  C      -6.212819      5.720606      1.843053
  C      -6.755975      6.886395      2.361343
  C      -8.039578      7.292641      1.935164
  N      -8.788992      6.655157      1.049903
  C      -8.277454      5.491168      0.548232
  C      -9.036493      4.751143     -0.391120
  C      -8.548282      3.549835     -0.854103
  C      -7.304461      3.085934     -0.369079
  N      -6.547606      3.749971      0.490621
  C      -7.010632      4.949134      0.933848
  C      -6.418063      2.073306      6.286307
  C      -7.097300      3.345025      6.827173
  C      -8.354268      3.664019      6.043722
  O      -7.957172      3.990804      4.684263
  C      -8.917406      3.732837      3.744101
  C      -9.977609      4.590925      3.538566
  C     -10.953876      4.264835      2.570335
  N     -10.931048      3.171643      1.824882
  C      -9.869902      2.331513      1.990303
  C      -9.775800      1.174468      1.179317
  C      -8.697551      0.331286      1.328089
  C      -7.698776      0.658368      2.272823
  N      -7.739333      1.731534      3.050484
  C      -8.813474      2.563323      2.931429
  H      -3.990743     -1.325946      5.089435
  H      -4.766376     -0.187216      3.975416
  H      -2.218759     -1.766680      3.297289
  H      -3.858201     -2.259832      2.867101
  H      -2.598725     -1.079119      1.006967
  H      -2.680788      0.432342      1.970717
  H      -5.919228     -1.540141     -0.465699
  H      -6.318987     -0.697116     -2.786028
  H      -4.072112      3.271920     -3.209542
  H      -2.777438      4.734446     -1.627277
  H      -2.550417      3.991380      0.779094
  H      -2.989158      6.074757      5.578608
  H      -4.137441      5.167591      6.572284
  H      -5.392058      6.343904      4.935383
  H      -5.463017      4.648351      4.458137
  H      -3.232813      5.327875      3.074127
  H      -4.075629      6.896847      2.997390
  H      -6.213232      7.505565      3.073851
  H      -8.458142      8.216503      2.348246
  H     -10.003393      5.147919     -0.703297
  H      -9.119365      2.937461     -1.553321
  H      -6.922255      2.115940     -0.697714
  H      -6.851480      1.179177      6.771591
  H      -6.639336      1.996407      5.210427
  H      -6.402058      4.195135      6.749314
  H      -7.363472      3.239716      7.890189
  H      -8.893942      4.520924      6.478655
  H      -9.038159      2.798935      6.020181
  H     -10.050892      5.517439      4.108882
  H     -11.793187      4.947705      2.409148
  H     -10.555501      1.002561      0.435559
  H      -8.586600     -0.563765      0.715222
  H      -6.813550      0.023656      2.372280
  N      -4.769245      2.482245      3.442139
  H      -5.786815      2.309446      3.344210
  H      -4.383823      2.736938      2.519548
101
Coordinates from ORCA-job orca E -6429.986938765664
  N      -2.913236      0.431343      4.775459
  Mo     -3.713835      2.202777      5.038305
  N      -4.973290      2.053167      6.490639
  C      -4.507616      1.929395      7.873617
  C      -3.136916      1.265558      7.894367
  N      -2.265611      1.885880      6.867716
  C      -1.183396      0.984156      6.413079
  C      -1.738772     -0.078497      5.471997
  C      -1.708720      3.200454      7.263695
  C      -1.581320      4.010399      5.979893
  N      -2.872656      3.981927      5.285543
  H      -0.944913     -0.366292      4.761093
  H      -2.010598     -0.999430      6.022732
  H      -0.446420      1.602426      5.884262
  H      -0.668992      0.525254      7.274617
  H      -1.281857      5.046471      6.200879
  H      -0.794249      3.587536      5.335384
  H      -2.411033      3.691072      7.950992
  H      -0.744936      3.077922      7.787462
  H      -5.215553      1.317808      8.458702
  H      -4.472621      2.922910      8.357218
  H      -3.248385      0.205347      7.628489
  H      -2.676536      1.322284      8.895926
  C      -3.778488     -0.635198      4.253195
  C      -3.183774     -1.366923      3.043824
  C      -3.129122     -0.508025      1.797165
  O      -4.506195     -0.336933      1.351243
  C      -4.701385      0.163326      0.101433
  C      -5.505668     -0.553720     -0.767945
  C      -5.736040     -0.065855     -2.070641
  N      -5.221196      1.055373     -2.552516
  C      -4.453170      1.792593     -1.699422
  C      -3.909731      3.017288     -2.158190
  C      -3.189154      3.805739     -1.291014
  C      -3.025642      3.371758      0.044751
  N      -3.480211      2.219920      0.512053
  C      -4.176698      1.417976     -0.342053
  C      -3.665702      5.203923      5.530876
  C      -4.773808      5.490266      4.524261
  C      -4.208160      5.776333      3.133726
  O      -4.993263      5.202473      2.072365
  C      -6.221145      5.695563      1.825450
  C      -6.754438      6.861062      2.354688
  C      -8.037259      7.278339      1.937482
  N      -8.795652      6.651845      1.052147
  C      -8.292542      5.490260      0.536648
  C      -9.060041      4.762625     -0.405888
  C      -8.577423      3.566049     -0.886911
  C      -7.330419      3.095033     -0.417727
  N      -6.567369      3.746429      0.445938
  C      -7.025933      4.939591      0.908951
  C      -6.420819      2.084718      6.302972
  C      -7.085870      3.372293      6.824250
  C      -8.345883      3.687135      6.043664
  O      -7.950885      3.975600      4.675761
  C      -8.918523      3.716670      3.743708
  C      -9.986502      4.567836      3.549497
  C     -10.963968      4.240562      2.583437
  N     -10.936033      3.152447      1.830780
  C      -9.870096      2.317282      1.988613
  C      -9.773772      1.162610      1.174413
  C      -8.692028      0.322938      1.318730
  C      -7.692986      0.650578      2.262566
  N      -7.735410      1.721514      3.043065
  C      -8.811921      2.550453      2.926901
  H      -3.972201     -1.359048      5.067198
  H      -4.748613     -0.208667      3.965411
  H      -2.171465     -1.732353      3.274878
  H      -3.799378     -2.256024      2.834226
  H      -2.569540     -1.014093      0.994833
  H      -2.679934      0.476093      1.987960
  H      -5.932808     -1.503780     -0.444786
  H      -6.361588     -0.647075     -2.755448
  H      -4.093985      3.306550     -3.193956
  H      -2.761284      4.752079     -1.625038
  H      -2.512411      4.005950      0.773090
  H      -2.962234      6.055479      5.527548
  H      -4.105488      5.170481      6.546356
  H      -5.360710      6.337443      4.906817
  H      -5.460689      4.637434      4.449902
  H      -3.235129      5.278171      3.033193
  H      -4.064608      6.854579      2.953888
  H      -6.205694      7.470239      3.071086
  H      -8.448775      8.201225      2.359731
  H     -10.027789      5.165839     -0.706905
  H      -9.153859      2.963793     -1.590417
  H      -6.950506      2.129737     -0.762942
  H      -6.865558      1.202806      6.800275
  H      -6.640395      1.995481      5.227873
  H      -6.383461      4.213804      6.721402
  H      -7.342793      3.292351      7.891573
  H      -8.872571      4.559258      6.463909
  H      -9.039395      2.829460      6.043632
  H     -10.064149      5.490385      4.125461
  H     -11.808611      4.918248      2.428341
  H     -10.555892      0.987892      0.433922
  H      -8.580247     -0.570682      0.703988
  H      -6.806055      0.018067      2.360110
  N      -4.762773      2.445409      3.445651
  H      -5.784360      2.295783      3.346235
  H      -4.358469      2.655690      2.518540
101
Coordinates from ORCA-job orca E -6429.988309728966
  N      -2.921951      0.415384      4.793781
  Mo     -3.724645      2.185832      5.056150
  N      -4.978908      2.059328      6.516470
  C      -4.515468      1.945770      7.900445
  C      -3.149231      1.273528      7.925532
  N      -2.278505      1.876940      6.888468
  C      -1.201896      0.963756      6.443856
  C      -1.766838     -0.103994      5.516537
  C      -1.715538      3.193854      7.267783
  C      -1.569569      3.980926      5.971877
  N      -2.857609      3.958124      5.270399
  H      -0.970690     -0.421772      4.821261
  H      -2.065145     -1.007728      6.081911
  H      -0.460520      1.570480      5.908315
  H      -0.691846      0.509213      7.310265
  H      -1.257482      5.016332      6.178047
  H      -0.785364      3.537115      5.338531
  H      -2.423467      3.702108      7.936209
  H      -0.759722      3.074094      7.806710
  H      -5.227657      1.343702      8.490328
  H      -4.475104      2.943123      8.375603
  H      -3.269800      0.211542      7.670593
  H      -2.683773      1.337039      8.924186
  C      -3.769148     -0.651371      4.239599
  C      -3.147663     -1.350547      3.024199
  C      -3.107074     -0.470428      1.792139
  O      -4.483975     -0.331538      1.335830
  C      -4.681731      0.169136      0.087177
  C      -5.467296     -0.560710     -0.788972
  C      -5.688853     -0.080005     -2.095380
  N      -5.182240      1.046146     -2.574802
  C      -4.435262      1.796513     -1.714502
  C      -3.899347      3.024886     -2.171675
  C      -3.195570      3.822929     -1.299705
  C      -3.044506      3.397130      0.040081
  N      -3.497139      2.244752      0.508351
  C      -4.172694      1.431256     -0.352070
  C      -3.636854      5.190905      5.504421
  C      -4.754289      5.474414      4.507579
  C      -4.205963      5.737853      3.105394
  O      -5.014275      5.165503      2.061646
  C      -6.236393      5.675743      1.823306
  C      -6.755422      6.842999      2.363076
  C      -8.038992      7.271894      1.960279
  N      -8.811621      6.655591      1.080267
  C      -8.320880      5.494901      0.550970
  C      -9.100774      4.779654     -0.391056
  C      -8.626382      3.587544     -0.891135
  C      -7.375720      3.107983     -0.441075
  N      -6.602503      3.747176      0.422401
  C      -7.053537      4.934980      0.905020
  C      -6.425957      2.108521      6.327452
  C      -7.071456      3.416558      6.821232
  C      -8.333273      3.728503      6.040950
  O      -7.942850      3.971894      4.663162
  C      -8.920185      3.710342      3.742143
  C     -10.001776      4.548765      3.568278
  C     -10.985370      4.216663      2.610429
  N     -10.952675      3.134815      1.849059
  C      -9.876126      2.310475      1.989860
  C      -9.779486      1.157918      1.172517
  C      -8.688296      0.327937      1.301987
  C      -7.681532      0.662157      2.234869
  N      -7.725070      1.730438      3.019054
  C      -8.809695      2.550458      2.916556
  H      -3.964032     -1.392879      5.036739
  H      -4.739817     -0.231315      3.945672
  H      -2.127170     -1.691260      3.256815
  H      -3.737128     -2.252562      2.795789
  H      -2.526482     -0.947214      0.986861
  H      -2.685580      0.521728      2.003074
  H      -5.881454     -1.517509     -0.468950
  H      -6.298219     -0.671406     -2.785970
  H      -4.074276      3.308276     -3.210644
  H      -2.770106      4.771425     -1.630325
  H      -2.539499      4.039031      0.767310
  H      -2.926265      6.036399      5.478947
  H      -4.064603      5.178418      6.525584
  H      -5.322373      6.335963      4.886465
  H      -5.455672      4.632089      4.453563
  H      -3.240758      5.227088      2.993775
  H      -4.053260      6.813053      2.914633
  H      -6.196164      7.443069      3.078852
  H      -8.439762      8.195274      2.391638
  H     -10.069560      5.190106     -0.678605
  H      -9.210018      2.997018     -1.598486
  H      -6.999026      2.148153     -0.804306
  H      -6.884574      1.243590      6.841762
  H      -6.645836      2.001449      5.254713
  H      -6.358992      4.245665      6.690632
  H      -7.319932      3.367880      7.892363
  H      -8.843925      4.618876      6.442053
  H      -9.039129      2.881437      6.068914
  H     -10.085843      5.465127      4.153059
  H     -11.840152      4.884624      2.469529
  H     -10.570939      0.974649      0.444171
  H      -8.576760     -0.563905      0.684754
  H      -6.788373      0.036430      2.321916
  N      -4.767887      2.416140      3.458864
  H      -5.794050      2.294980      3.362049
  H      -4.351011      2.582300      2.526480
101
Coordinates from ORCA-job orca E -6429.989515334510
  N      -2.921498      0.394655      4.812108
  Mo     -3.730663      2.164591      5.069258
  N      -4.982734      2.056850      6.534284
  C      -4.522385      1.954279      7.919805
  C      -3.157871      1.279477      7.951711
  N      -2.288123      1.869915      6.906289
  C      -1.213003      0.949682      6.472284
  C      -1.783337     -0.126887      5.560989
  C      -1.724050      3.190465      7.271539
  C      -1.564469      3.957700      5.965594
  N      -2.849224      3.934992      5.257805
  H      -0.984713     -0.472942      4.882216
  H      -2.104250     -1.012661      6.142401
  H      -0.470825      1.547552      5.928120
  H      -0.704161      0.503843      7.343959
  H      -1.244661      4.993363      6.158352
  H      -0.781247      3.497509      5.343054
  H      -2.438442      3.711143      7.923320
  H      -0.775097      3.075768      7.823621
  H      -5.237419      1.358781      8.513016
  H      -4.481016      2.955424      8.386853
  H      -3.281564      0.215070      7.708475
  H      -2.689876      1.353055      8.948427
  C      -3.747208     -0.676352      4.232261
  C      -3.102352     -1.343047      3.010688
  C      -3.081047     -0.442496      1.792731
  O      -4.460828     -0.324632      1.340232
  C      -4.674908      0.182650      0.096776
  C      -5.464735     -0.547649     -0.775062
  C      -5.703612     -0.060992     -2.076103
  N      -5.209491      1.071370     -2.554393
  C      -4.458849      1.822193     -1.697639
  C      -3.934825      3.056019     -2.154225
  C      -3.225524      3.852677     -1.285670
  C      -3.059773      3.422312      0.050919
  N      -3.503804      2.266394      0.519439
  C      -4.180455      1.451730     -0.339749
  C      -3.620429      5.175233      5.478585
  C      -4.743966      5.452568      4.486899
  C      -4.206420      5.695172      3.076334
  O      -5.030399      5.123923      2.044449
  C      -6.245155      5.650811      1.806633
  C      -6.753116      6.818887      2.355489
  C      -8.034656      7.260742      1.960060
  N      -8.815535      6.657122      1.078637
  C      -8.333751      5.498810      0.535640
  C      -9.120499      4.799016     -0.412266
  C      -8.652668      3.612122     -0.930750
  C      -7.401449      3.121866     -0.493790
  N      -6.623156      3.745556      0.376867
  C      -7.068400      4.927488      0.879007
  C      -6.429619      2.123613      6.344859
  C      -7.055108      3.448737      6.818606
  C      -8.319045      3.760572      6.041385
  O      -7.931278      3.959992      4.656433
  C      -8.915337      3.700059      3.743273
  C     -10.006593      4.528946      3.583722
  C     -10.990910      4.196053      2.626653
  N     -10.951110      3.121999      1.854355
  C      -9.867541      2.304977      1.985175
  C      -9.765954      1.156989      1.161942
  C      -8.669666      0.332691      1.285502
  C      -7.663525      0.667493      2.218878
  N      -7.711438      1.731992      3.007658
  C      -8.799904      2.546877      2.909686
  H      -3.937573     -1.433822      5.015105
  H      -4.721061     -0.266386      3.935549
  H      -2.073291     -1.658504      3.241372
  H      -3.666189     -2.257370      2.767022
  H      -2.489714     -0.891787      0.979487
  H      -2.680049      0.554282      2.021057
  H      -5.867663     -1.509823     -0.456523
  H      -6.316356     -0.652636     -2.763535
  H      -4.122687      3.344119     -3.189704
  H      -2.806892      4.805118     -1.613769
  H      -2.546790      4.064785      0.772256
  H      -2.905664      6.016698      5.435318
  H      -4.040605      5.180908      6.503119
  H      -5.299826      6.325045      4.859175
  H      -5.455304      4.617992      4.449340
  H      -3.248121      5.172494      2.960595
  H      -4.043971      6.767113      2.875180
  H      -6.187700      7.408283      3.075255
  H      -8.426862      8.183707      2.400300
  H     -10.088418      5.217597     -0.691139
  H      -9.240865      3.034774     -1.645274
  H      -7.027878      2.167477     -0.874853
  H      -6.900732      1.273347      6.872125
  H      -6.651473      2.003726      5.273955
  H      -6.333414      4.265718      6.664414
  H      -7.294383      3.425663      7.892715
  H      -8.813621      4.667825      6.424198
  H      -9.036582      2.924682      6.094842
  H     -10.097474      5.439362      4.176741
  H     -11.852155      4.857687      2.494869
  H     -10.559078      0.970727      0.436128
  H      -8.555048     -0.556350      0.664677
  H      -6.768389      0.044707      2.304006
  N      -4.770650      2.378762      3.468465
  H      -5.799777      2.278414      3.373311
  H      -4.348282      2.511174      2.532470
101
Coordinates from ORCA-job orca E -6429.990575983494
  N      -2.923339      0.377408      4.827131
  Mo     -3.734442      2.149523      5.080510
  N      -4.985011      2.060156      6.549391
  C      -4.527228      1.968629      7.936272
  C      -3.165065      1.289913      7.975042
  N      -2.295647      1.865408      6.921094
  C      -1.224964      0.935522      6.496812
  C      -1.805542     -0.148855      5.603967
  C      -1.727178      3.187944      7.272711
  C      -1.556066      3.938183      5.958364
  N      -2.838622      3.917536      5.247017
  H      -1.006590     -0.529109      4.944105
  H      -2.153640     -1.012861      6.202572
  H      -0.481653      1.521857      5.941930
  H      -0.716624      0.498351      7.373179
  H      -1.227289      4.973155      6.139355
  H      -0.775552      3.462672      5.344138
  H      -2.445390      3.720229      7.910716
  H      -0.784013      3.075689      7.835048
  H      -5.245289      1.380440      8.533152
  H      -4.483846      2.973662      8.394647
  H      -3.292714      0.223181      7.744877
  H      -2.694580      1.374212      8.969633
  C      -3.729705     -0.695135      4.221930
  C      -3.063492     -1.337431      2.998676
  C      -3.057359     -0.426266      1.788435
  O      -4.437866     -0.326737      1.334753
  C      -4.658241      0.182991      0.093049
  C      -5.449133     -0.546266     -0.778337
  C      -5.694357     -0.054419     -2.076212
  N      -5.204962      1.081251     -2.551613
  C      -4.452755      1.830532     -1.694976
  C      -3.933107      3.067600     -2.148152
  C      -3.220997      3.860513     -1.278561
  C      -3.048651      3.424523      0.054952
  N      -3.491074      2.267135      0.521224
  C      -4.169091      1.455234     -0.339810
  C      -3.601934      5.163922      5.457526
  C      -4.733446      5.434158      4.473149
  C      -4.212167      5.662365      3.053943
  O      -5.054390      5.093404      2.035679
  C      -6.263662      5.634559      1.802413
  C      -6.761140      6.802322      2.361511
  C      -8.043082      7.253750      1.978600
  N      -8.834265      6.660208      1.099859
  C      -8.360748      5.505691      0.541739
  C      -9.155877      4.819879     -0.409214
  C      -8.693154      3.640337     -0.948619
  C      -7.438920      3.142694     -0.529338
  N      -6.654112      3.752366      0.345459
  C      -7.094479      4.926682      0.868995
  C      -6.431673      2.143950      6.361183
  C      -7.036942      3.486959      6.810284
  C      -8.303880      3.798002      6.036698
  O      -7.923899      3.948067      4.643691
  C      -8.917058      3.688418      3.741596
  C     -10.021240      4.504276      3.602855
  C     -11.009065      4.169919      2.650024
  N     -10.963212      3.105428      1.864920
  C      -9.870049      2.298751      1.979179
  C      -9.765524      1.156172      1.148837
  C      -8.661312      0.340423      1.259044
  C      -7.651282      0.677491      2.187154
  N      -7.702580      1.736929      2.982334
  C      -8.797261      2.544260      2.896377
  H      -3.919223     -1.465547      4.991988
  H      -4.704744     -0.292161      3.920573
  H      -2.027719     -1.629072      3.230212
  H      -3.603858     -2.263246      2.745861
  H      -2.455677     -0.855591      0.972095
  H      -2.673593      0.574900      2.027231
  H      -5.847640     -1.511161     -0.462628
  H      -6.308433     -0.644647     -2.763556
  H      -4.126853      3.360998     -3.180992
  H      -2.805444      4.816111     -1.600731
  H      -2.530560      4.066004      0.773236
  H      -2.884247      6.002083      5.398586
  H      -4.014154      5.184693      6.485224
  H      -5.280984      6.313287      4.842258
  H      -5.450634      4.604315      4.451032
  H      -3.260183      5.130339      2.928541
  H      -4.043530      6.731800      2.844926
  H      -6.188185      7.382973      3.082243
  H      -8.427085      8.175165      2.429107
  H     -10.124791      5.243946     -0.675951
  H      -9.286394      3.075793     -1.669109
  H      -7.067299      2.195372     -0.929595
  H      -6.913993      1.310676      6.905091
  H      -6.656895      2.006677      5.293478
  H      -6.306438      4.290357      6.629931
  H      -7.265848      3.492239      7.886784
  H      -8.779399      4.723877      6.398006
  H      -9.034150      2.975906      6.119960
  H     -10.119890      5.406472      4.206969
  H     -11.879140      4.822706      2.533193
  H     -10.564262      0.965174      0.430533
  H      -8.544611     -0.544506      0.632854
  H      -6.751344      0.060430      2.264094
  N      -4.774661      2.351790      3.479427
  H      -5.807395      2.275475      3.387571
  H      -4.352522      2.466234      2.540513
101
Coordinates from ORCA-job orca E -6429.991519122656
  N      -2.922204      0.357830      4.845296
  Mo     -3.738769      2.130698      5.095274
  N      -4.990184      2.057566      6.566069
  C      -4.535417      1.978905      7.954775
  C      -3.174292      1.299093      8.002390
  N      -2.304923      1.860079      6.940668
  C      -1.237604      0.921780      6.526313
  C      -1.826343     -0.170839      5.651974
  C      -1.733338      3.185063      7.278181
  C      -1.552389      3.918176      5.955515
  N      -2.832525      3.897720      5.240275
  H      -1.026630     -0.585168      5.013852
  H      -2.201623     -1.012461      6.266363
  H      -0.494412      1.497361      5.960153
  H      -0.728201      0.494606      7.407065
  H      -1.215934      4.952749      6.124356
  H      -0.773969      3.428769      5.349555
  H      -2.454829      3.727641      7.903741
  H      -0.794978      3.076258      7.849156
  H      -5.255623      1.397286      8.555469
  H      -4.491955      2.988250      8.403514
  H      -3.303288      0.229610      7.786989
  H      -2.703034      1.396410      8.995363
  C      -3.703634     -0.718353      4.212712
  C      -3.012141     -1.333226      2.989342
  C      -3.022099     -0.413209      1.785934
  O      -4.404413     -0.337678      1.332555
  C      -4.639436      0.171111      0.092743
  C      -5.420538     -0.570739     -0.776445
  C      -5.681978     -0.079386     -2.071420
  N      -5.217982      1.067427     -2.545415
  C      -4.476224      1.828754     -1.690431
  C      -3.984597      3.078082     -2.141593
  C      -3.283403      3.880896     -1.272201
  C      -3.095321      3.443110      0.058368
  N      -3.513521      2.276521      0.523203
  C      -4.178009      1.454198     -0.338303
  C      -3.588548      5.150191      5.437515
  C      -4.722818      5.415739      4.455572
  C      -4.210510      5.632400      3.031540
  O      -5.066742      5.067261      2.023139
  C      -6.269579      5.624267      1.794469
  C      -6.754450      6.790886      2.366761
  C      -8.035598      7.255573      1.997631
  N      -8.837458      6.676142      1.119476
  C      -8.374236      5.526267      0.543427
  C      -9.179039      4.859087     -0.412344
  C      -8.724683      3.687133     -0.974698
  C      -7.469282      3.177761     -0.573309
  N      -6.676618      3.768913      0.307211
  C      -7.108728      4.935600      0.853954
  C      -6.436615      2.158604      6.379477
  C      -7.019978      3.519359      6.804472
  C      -8.288083      3.833816      6.033364
  O      -7.913322      3.931582      4.634595
  C      -8.912181      3.676273      3.739597
  C     -10.027845      4.479857      3.618388
  C     -11.015546      4.146448      2.665177
  N     -10.961554      3.093207      1.865412
  C      -9.859782      2.296451      1.965862
  C      -9.748964      1.161510      1.125963
  C      -8.637379      0.354400      1.225005
  C      -7.626928      0.691692      2.152467
  N      -7.684691      1.743997      2.956374
  C      -8.785371      2.543474      2.880473
  H      -3.890285     -1.502594      4.969243
  H      -4.680976     -0.326553      3.905076
  H      -1.970024     -1.597946      3.224600
  H      -3.525445     -2.271656      2.726963
  H      -2.410473     -0.822734      0.966906
  H      -2.657412      0.592885      2.032797
  H      -5.798228     -1.544442     -0.462326
  H      -6.288086     -0.679402     -2.757314
  H      -4.190493      3.372052     -3.171868
  H      -2.888708      4.846541     -1.590453
  H      -2.581496      4.091875      0.773056
  H      -2.866820      5.984070      5.367151
  H      -3.997587      5.185513      6.466196
  H      -5.265390      6.299491      4.821208
  H      -5.444572      4.589602      4.442863
  H      -3.264538      5.090994      2.900811
  H      -4.034622      6.699295      2.815903
  H      -6.172962      7.359864      3.089914
  H      -8.409425      8.174870      2.460786
  H     -10.147613      5.291629     -0.666305
  H      -9.324479      3.138694     -1.702148
  H      -7.103044      2.237315     -0.994128
  H      -6.930179      1.342646      6.939150
  H      -6.665471      2.004754      5.314982
  H      -6.279331      4.306977      6.599195
  H      -7.238826      3.552318      7.882466
  H      -8.741040      4.779591      6.370818
  H      -9.033947      3.029491      6.145074
  H     -10.135891      5.372826      4.234395
  H     -11.893054      4.791367      2.560996
  H     -10.550207      0.967765      0.411273
  H      -8.515910     -0.524713      0.591635
  H      -6.722540      0.080654      2.223381
  N      -4.780948      2.320059      3.494549
  H      -5.815580      2.251201      3.403473
  H      -4.361316      2.420534      2.553204
101
Coordinates from ORCA-job orca E -6429.992358239763
  N      -2.926391      0.338903      4.857749
  Mo     -3.742531      2.115284      5.103731
  N      -4.993303      2.059366      6.577294
  C      -4.537025      1.995344      7.966732
  C      -3.177566      1.312860      8.021578
  N      -2.309242      1.856480      6.949783
  C      -1.248372      0.907419      6.542134
  C      -1.850394     -0.192665      5.689339
  C      -1.730281      3.182500      7.271362
  C      -1.546175      3.900696      5.941036
  N      -2.827658      3.881196      5.228417
  H      -1.054263     -0.641846      5.070469
  H      -2.250302     -1.010859      6.320068
  H      -0.507316      1.470827      5.960917
  H      -0.734265      0.490475      7.425190
  H      -1.201810      4.934520      6.098575
  H      -0.772436      3.399711      5.338383
  H      -2.450072      3.735248      7.890130
  H      -0.793084      3.075052      7.844577
  H      -5.258367      1.422220      8.574201
  H      -4.490968      3.009767      8.403728
  H      -3.309633      0.240479      7.823591
  H      -2.703761      1.424549      9.011806
  C      -3.691244     -0.738022      4.205838
  C      -2.982366     -1.335433      2.983675
  C      -2.999706     -0.412342      1.782745
  O      -4.382335     -0.342164      1.329659
  C      -4.622069      0.172931      0.093208
  C      -5.408266     -0.562761     -0.776312
  C      -5.678034     -0.061208     -2.065929
  N      -5.216253      1.088495     -2.534868
  C      -4.467272      1.842956     -1.679886
  C      -3.974918      3.093925     -2.126100
  C      -3.265079      3.888069     -1.255836
  C      -3.069173      3.440497      0.070170
  N      -3.489226      2.272923      0.530911
  C      -4.162065      1.458730     -0.332002
  C      -3.577438      5.138498      5.417120
  C      -4.718978      5.398604      4.442175
  C      -4.221542      5.608856      3.012212
  O      -5.092617      5.046285      2.014628
  C      -6.291713      5.613313      1.790482
  C      -6.768267      6.779402      2.370831
  C      -8.050077      7.251139      2.012822
  N      -8.859806      6.679366      1.136880
  C      -8.402262      5.533510      0.548095
  C      -9.212899      4.878667     -0.411246
  C      -8.762023      3.714156     -0.991630
  C      -7.504473      3.198894     -0.604111
  N      -6.707424      3.777498      0.280896
  C      -7.136019      4.936916      0.845648
  C      -6.439727      2.176152      6.396181
  C      -6.999892      3.555092      6.794444
  C      -8.270022      3.873494      6.027623
  O      -7.906658      3.911657      4.623177
  C      -8.913837      3.659082      3.739632
  C     -10.041477      4.449130      3.638100
  C     -11.031707      4.114896      2.687736
  N     -10.971732      3.072234      1.874454
  C      -9.860525      2.286594      1.958647
  C      -9.744870      1.158901      1.109533
  C      -8.625141      0.361580      1.194549
  C      -7.611876      0.700385      2.118610
  N      -7.674520      1.745971      2.930725
  C      -8.782022      2.536672      2.867381
  H      -3.877449     -1.531956      4.952261
  H      -4.669348     -0.352250      3.893538
  H      -1.936490     -1.581771      3.223106
  H      -3.478116     -2.282098      2.717003
  H      -2.384939     -0.814149      0.962189
  H      -2.640890      0.595159      2.032562
  H      -5.785139     -1.538468     -0.467184
  H      -6.289110     -0.656072     -2.752120
  H      -4.187252      3.395831     -3.152859
  H      -2.870351      4.855739     -1.568024
  H      -2.546549      4.083430      0.783957
  H      -2.853388      5.969288      5.334276
  H      -3.979233      5.185671      6.448294
  H      -5.259427      6.283509      4.808369
  H      -5.441040      4.572489      4.439025
  H      -3.280414      5.061348      2.871666
  H      -4.041703      6.674090      2.791563
  H      -6.180515      7.342285      3.093669
  H      -8.417369      8.168816      2.484600
  H     -10.182126      5.315460     -0.655695
  H      -9.365246      3.177347     -1.725030
  H      -7.139730      2.265140     -1.041526
  H      -6.941503      1.379473      6.975795
  H      -6.675717      2.002364      5.336548
  H      -6.248974      4.325069      6.562006
  H      -7.206884      3.617590      7.873449
  H      -8.695102      4.841301      6.337428
  H      -9.033990      3.092001      6.173623
  H     -10.157890      5.333204      4.265371
  H     -11.917347      4.751081      2.598259
  H     -10.550508      0.961428      0.400662
  H      -8.500091     -0.512073      0.554195
  H      -6.702813      0.095491      2.182307
  N      -4.791554      2.294360      3.509078
  H      -5.828655      2.237549      3.422693
  H      -4.379586      2.398877      2.565140
101
Coordinates from ORCA-job orca E -6429.993097394353
  N      -2.926810      0.322811      4.874366
  Mo     -3.745224      2.099868      5.115514
  N      -4.998618      2.059050      6.589574
  C      -4.542337      2.010434      7.980079
  C      -3.183714      1.327044      8.044287
  N      -2.315352      1.853874      6.964565
  C      -1.259484      0.895586      6.564703
  C      -1.871352     -0.211011      5.730413
  C      -1.730531      3.181150      7.270011
  C      -1.541745      3.883518      5.931871
  N      -2.823123      3.863696      5.218972
  H      -1.078040     -0.690760      5.131060
  H      -2.293825     -1.007798      6.373865
  H      -0.520897      1.448426      5.970324
  H      -0.740949      0.488290      7.449693
  H      -1.190694      4.916752      6.078349
  H      -0.771205      3.371889      5.334075
  H      -2.449028      3.744123      7.881075
  H      -0.794639      3.076528      7.845874
  H      -5.264493      1.445190      8.593870
  H      -4.495297      3.029879      8.405089
  H      -3.317487      0.251919      7.863438
  H      -2.709548      1.453269      9.032504
  C      -3.671558     -0.755823      4.201913
  C      -2.940878     -1.331140      2.982252
  C      -2.971006     -0.403867      1.785212
  O      -4.354209     -0.354828      1.331082
  C      -4.603680      0.160147      0.096700
  C      -5.382062     -0.584039     -0.772650
  C      -5.664566     -0.081324     -2.058977
  N      -5.221334      1.076495     -2.525389
  C      -4.478385      1.837882     -1.671390
  C      -4.003165      3.095913     -2.115897
  C      -3.297856      3.895085     -1.246478
  C      -3.090699      3.445428      0.077000
  N      -3.496456      2.272497      0.536590
  C      -4.162988      1.453219     -0.326057
  C      -3.566312      5.126044      5.395785
  C      -4.709842      5.381535      4.422222
  C      -4.219830      5.588449      2.989719
  O      -5.102594      5.032470      1.998562
  C      -6.299035      5.609756      1.784895
  C      -6.766010      6.770334      2.383724
  C      -8.049620      7.250780      2.044988
  N      -8.869989      6.691956      1.170849
  C      -8.420223      5.554791      0.560026
  C      -9.241023      4.918428     -0.402994
  C      -8.795882      3.766179     -1.011300
  C      -7.534236      3.243941     -0.647265
  N      -6.729088      3.803670      0.242491
  C      -7.151787      4.951416      0.834962
  C      -6.444903      2.188574      6.413206
  C      -6.984881      3.582823      6.786669
  C      -8.255495      3.907335      6.022172
  O      -7.903111      3.883168      4.615168
  C      -8.916128      3.636692      3.739450
  C     -10.053860      4.415080      3.655961
  C     -11.042855      4.085921      2.703001
  N     -10.975453      3.057504      1.872327
  C      -9.857415      2.280443      1.942262
  C      -9.735673      1.163650      1.079637
  C      -8.610052      0.373405      1.152169
  C      -7.597955      0.707008      2.079062
  N      -7.666938      1.742159      2.903898
  C      -8.778562      2.527300      2.851032
  H      -3.855722     -1.560601      4.937038
  H      -4.650909     -0.379442      3.882713
  H      -1.891097     -1.553548      3.228259
  H      -3.412735     -2.288060      2.709025
  H      -2.349343     -0.793054      0.963771
  H      -2.627813      0.608391      2.038359
  H      -5.743921     -1.566092     -0.465967
  H      -6.270360     -0.681955     -2.744764
  H      -4.223860      3.398472     -3.140614
  H      -2.915933      4.868376     -1.556994
  H      -2.569892      4.090814      0.789790
  H      -2.838949      5.952934      5.303137
  H      -3.965042      5.186134      6.427505
  H      -5.250943      6.266142      4.788070
  H      -5.430514      4.554345      4.422627
  H      -3.283412      5.034609      2.842317
  H      -4.034706      6.652363      2.767347
  H      -6.170153      7.321898      3.108525
  H      -8.409595      8.162713      2.533068
  H     -10.212024      5.360486     -0.630043
  H      -9.405457      3.245696     -1.751056
  H      -7.173064      2.320975     -1.109516
  H      -6.953341      1.409666      7.010578
  H      -6.686934      1.996903      5.358549
  H      -6.224487      4.335482      6.530811
  H      -7.181345      3.671849      7.865590
  H      -8.648884      4.897416      6.301528
  H      -9.040188      3.153885      6.201671
  H     -10.179483      5.287510      4.297385
  H     -11.934799      4.714885      2.626538
  H     -10.542573      0.967628      0.371896
  H      -8.480300     -0.491565      0.501192
  H      -6.685206      0.106985      2.136503
  N      -4.795920      2.267349      3.520345
  H      -5.833971      2.208403      3.430681
  H      -4.384340      2.369445      2.575831
101
Coordinates from ORCA-job orca E -6429.993725358031
  N      -2.933901      0.305455      4.889609
  Mo     -3.750728      2.084516      5.124890
  N      -5.003538      2.060297      6.601622
  C      -4.542460      2.028806      7.991619
  C      -3.185385      1.343078      8.062697
  N      -2.318498      1.850793      6.972961
  C      -1.269953      0.881779      6.578932
  C      -1.894679     -0.230460      5.764300
  C      -1.724731      3.178396      7.259711
  C      -1.536894      3.864829      5.913198
  N      -2.821428      3.844927      5.205206
  H      -1.106771     -0.737258      5.180157
  H      -2.335308     -1.006993      6.420191
  H      -0.535382      1.423320      5.969263
  H      -0.744735      0.484207      7.464403
  H      -1.179211      4.897491      6.047757
  H      -0.771613      3.343376      5.317129
  H      -2.437694      3.752479      7.867024
  H      -0.787052      3.075562      7.833059
  H      -5.264261      1.473547      8.614886
  H      -4.491672      3.053824      8.402641
  H      -3.322325      0.265392      7.900450
  H      -2.708738      1.484334      9.047652
  C      -3.664540     -0.773495      4.201832
  C      -2.916338     -1.333012      2.984866
  C      -2.949705     -0.402349      1.790844
  O      -4.332545     -0.360362      1.335073
  C      -4.587746      0.161017      0.104896
  C      -5.369118     -0.580416     -0.764327
  C      -5.664343     -0.069236     -2.044387
  N      -5.228790      1.093288     -2.506283
  C      -4.479645      1.850282     -1.653707
  C      -4.008615      3.110976     -2.094858
  C      -3.296101      3.905552     -1.227110
  C      -3.079438      3.449163      0.092412
  N      -3.482351      2.273967      0.549323
  C      -4.153465      1.458005     -0.313052
  C      -3.556936      5.113056      5.371854
  C      -4.705858      5.364115      4.403492
  C      -4.226047      5.568845      2.967558
  O      -5.119890      5.018084      1.982975
  C      -6.314427      5.602943      1.778289
  C      -6.772370      6.761838      2.387459
  C      -8.056984      7.248990      2.062454
  N      -8.885743      6.698898      1.190699
  C      -8.442638      5.566787      0.565755
  C      -9.270173      4.944661     -0.400788
  C      -8.829639      3.801365     -1.028800
  C      -7.566368      3.272446     -0.679580
  N      -6.756091      3.817215      0.214956
  C      -7.173953      4.957121      0.826137
  C      -6.449898      2.200707      6.432285
  C      -6.971113      3.609219      6.780017
  C      -8.239636      3.940276      6.014023
  O      -7.898006      3.851187      4.607854
  C      -8.916204      3.611612      3.739938
  C     -10.065340      4.375541      3.676153
  C     -11.054176      4.049148      2.722145
  N     -10.978742      3.035255      1.874305
  C      -9.851862      2.269622      1.928428
  C      -9.722926      1.163876      1.052545
  C      -8.589558      0.383702      1.111125
  C      -7.577876      0.714917      2.039268
  N      -7.653639      1.739644      2.876467
  C      -8.771539      2.516061      2.835071
  H      -3.848830     -1.586203      4.927982
  H      -4.643948     -0.402898      3.876592
  H      -1.865293     -1.540206      3.238982
  H      -3.371697     -2.296027      2.704932
  H      -2.325239     -0.786576      0.969120
  H      -2.612495      0.611157      2.046540
  H      -5.725863     -1.565625     -0.461697
  H      -6.274337     -0.666708     -2.729283
  H      -4.237657      3.419029     -3.116140
  H      -2.916981      4.880604     -1.535478
  H      -2.551900      4.089550      0.804829
  H      -2.826023      5.935271      5.265706
  H      -3.948058      5.186927      6.405559
  H      -5.247423      6.247600      4.770978
  H      -5.423719      4.534297      4.408500
  H      -3.293957      5.009933      2.811981
  H      -4.036555      6.631698      2.743470
  H      -6.169153      7.307081      3.110811
  H      -8.410257      8.158583      2.559792
  H     -10.241408      5.391821     -0.616726
  H      -9.442939      3.294082     -1.774633
  H      -7.208158      2.357518     -1.160053
  H      -6.962368      1.439706      7.048751
  H      -6.699622      1.990146      5.383336
  H      -6.200976      4.345040      6.505658
  H      -7.160803      3.723218      7.857743
  H      -8.599540      4.951981      6.259077
  H      -9.046172      3.219112      6.226290
  H     -10.200809      5.235746      4.331869
  H     -11.953883      4.668651      2.659848
  H     -10.531986      0.966835      0.347510
  H      -8.454379     -0.472692      0.449944
  H      -6.661193      0.120809      2.090285
  N      -4.806599      2.240835      3.532727
  H      -5.845352      2.185523      3.441616
  H      -4.396304      2.349591      2.588466
101
Coordinates from ORCA-job orca E -6429.994234750615
  N      -2.936839      0.293975      4.904928
  Mo     -3.751093      2.075391      5.131145
  N      -5.004323      2.065298      6.609582
  C      -4.538932      2.051509      7.998838
  C      -3.183023      1.364471      8.077411
  N      -2.317011      1.853490      6.978949
  C      -1.275599      0.873840      6.592285
  C      -1.913113     -0.243610      5.796939
  C      -1.714809      3.181014      7.247989
  C      -1.528639      3.853066      5.894013
  N      -2.816374      3.832221      5.191200
  H      -1.131136     -0.775751      5.227548
  H      -2.371401     -0.999251      6.464876
  H      -0.544270      1.403362      5.968274
  H      -0.745194      0.485935      7.478875
  H      -1.166079      4.885380      6.018098
  H      -0.767945      3.323507      5.299268
  H      -2.422062      3.765565      7.852048
  H      -0.775094      3.079946      7.818285
  H      -5.259999      1.505771      8.631332
  H      -4.485400      3.081967      8.395744
  H      -3.322319      0.284577      7.933013
  H      -2.704837      1.520449      9.059353
  C      -3.656677     -0.786423      4.207455
  C      -2.894529     -1.336314      2.994131
  C      -2.931634     -0.406085      1.799981
  O      -4.314202     -0.371793      1.342492
  C      -4.574821      0.154632      0.115891
  C      -5.363380     -0.582149     -0.751054
  C      -5.670579     -0.063559     -2.025084
  N      -5.238173      1.101034     -2.484869
  C      -4.478312      1.851508     -1.636103
  C      -4.006125      3.111952     -2.076419
  C      -3.281208      3.899868     -1.212838
  C      -3.055042      3.437712      0.102777
  N      -3.460699      2.263249      0.559550
  C      -4.141246      1.452413     -0.300181
  C      -3.545337      5.105035      5.349244
  C      -4.700452      5.349286      4.386613
  C      -4.230101      5.558329      2.948435
  O      -5.133152      5.015960      1.967301
  C      -6.327959      5.605301      1.776172
  C      -6.780491      6.756531      2.403790
  C      -8.068426      7.246895      2.097634
  N      -8.905422      6.706797      1.227590
  C      -8.465795      5.585710      0.580779
  C      -9.300089      4.979564     -0.390085
  C      -8.860351      3.852054     -1.046315
  C      -7.591517      3.321573     -0.719862
  N      -6.776275      3.849484      0.180383
  C      -7.193364      4.974781      0.819100
  C      -6.451395      2.207954      6.446639
  C      -6.965324      3.624891      6.772578
  C      -8.232463      3.956661      6.003258
  O      -7.901802      3.808957      4.600724
  C      -8.924166      3.580180      3.738153
  C     -10.082577      4.331999      3.693750
  C     -11.068886      4.015002      2.734060
  N     -10.985925      3.018881      1.866051
  C      -9.853444      2.260516      1.906421
  C      -9.719187      1.167012      1.015978
  C      -8.582372      0.391096      1.064410
  C      -7.573217      0.713449      1.998092
  N      -7.653843      1.727021      2.848375
  C      -8.773884      2.500094      2.815052
  H      -3.841119     -1.603761      4.928115
  H      -4.635817     -0.420775      3.876470
  H      -1.842604     -1.529480      3.255562
  H      -3.335252     -2.305201      2.711158
  H      -2.305020     -0.788453      0.979019
  H      -2.599705      0.609195      2.054831
  H      -5.718746     -1.568376     -0.450188
  H      -6.288425     -0.656099     -2.707190
  H      -4.243750      3.425217     -3.094134
  H      -2.900697      4.874369     -1.520866
  H      -2.516911      4.071429      0.813172
  H      -2.812381      5.923573      5.229087
  H      -3.927954      5.191809      6.385054
  H      -5.246470      6.228405      4.757550
  H      -5.411402      4.513562      4.393248
  H      -3.301406      4.996771      2.782575
  H      -4.037947      6.621482      2.727863
  H      -6.171026      7.293079      3.128263
  H      -8.418263      8.149056      2.610650
  H     -10.274525      5.427833     -0.588551
  H      -9.477197      3.359261     -1.798848
  H      -7.233139      2.420177     -1.225284
  H      -6.962319      1.459888      7.079777
  H      -6.707080      1.979532      5.403439
  H      -6.190290      4.351053      6.487277
  H      -7.153004      3.756913      7.848525
  H      -8.564851      4.985144      6.215536
  H      -9.055613      3.263977      6.243885
  H     -10.227779      5.176945      4.366831
  H     -11.974401      4.627209      2.685104
  H     -10.528400      0.973997      0.310034
  H      -8.443512     -0.456133      0.392363
  H      -6.655604      0.120604      2.045371
  N      -4.808002      2.220075      3.539012
  H      -5.846288      2.157826      3.440248
  H      -4.392973      2.328331      2.596856
101
Coordinates from ORCA-job orca E -6429.994633992642
  N      -2.950627      0.279240      4.920259
  Mo     -3.760545      2.062813      5.140762
  N      -5.005843      2.069512      6.626974
  C      -4.530027      2.074801      8.012942
  C      -3.176637      1.383567      8.093022
  N      -2.315276      1.852142      6.982279
  C      -1.284010      0.860023      6.599893
  C      -1.937422     -0.261024      5.823224
  C      -1.702227      3.179003      7.229886
  C      -1.523230      3.834632      5.866683
  N      -2.817046      3.813505      5.173958
  H      -1.163446     -0.814688      5.263589
  H      -2.409545     -0.997699      6.502482
  H      -0.555771      1.376271      5.961240
  H      -0.747737      0.480172      7.486375
  H      -1.154537      4.866381      5.976770
  H      -0.770062      3.294973      5.271498
  H      -2.399998      3.775456      7.833388
  H      -0.757967      3.078980      7.792841
  H      -5.248703      1.541726      8.658854
  H      -4.469146      3.110891      8.393834
  H      -3.320927      0.302113      7.966572
  H      -2.692226      1.552854      9.069721
  C      -3.662716     -0.799692      4.211901
  C      -2.887697     -1.339687      3.001854
  C      -2.921520     -0.405963      1.810366
  O      -4.301603     -0.375076      1.345184
  C      -4.562016      0.162609      0.123798
  C      -5.355348     -0.565281     -0.746652
  C      -5.669459     -0.034624     -2.013604
  N      -5.238158      1.133733     -2.465033
  C      -4.471157      1.874190     -1.614056
  C      -3.996829      3.136383     -2.046808
  C      -3.263770      3.915030     -1.181663
  C      -3.033608      3.442664      0.129345
  N      -3.442727      2.266637      0.579716
  C      -4.127900      1.463153     -0.283314
  C      -3.536235      5.093648      5.320249
  C      -4.699912      5.330668      4.365894
  C      -4.239672      5.537706      2.924142
  O      -5.150886      5.000041      1.947778
  C      -6.344651      5.594257      1.764308
  C      -6.790459      6.744499      2.398670
  C      -8.078794      7.239357      2.101813
  N      -8.922056      6.704869      1.234400
  C      -8.487396      5.587339      0.578025
  C      -9.325881      4.991554     -0.395608
  C      -8.888418      3.872137     -1.066922
  C      -7.618399      3.337677     -0.751211
  N      -6.800634      3.854062      0.153605
  C      -7.215147      4.972588      0.806145
  C      -6.453473      2.215763      6.473285
  C      -6.958701      3.641205      6.776391
  C      -8.220857      3.974422      5.998321
  O      -7.896827      3.775060      4.601809
  C      -8.921548      3.556894      3.742099
  C     -10.089393      4.295361      3.717075
  C     -11.074980      3.984906      2.754509
  N     -10.985575      3.005037      1.868934
  C      -9.846273      2.255919      1.894314
  C      -9.707861      1.173382      0.991199
  C      -8.566159      0.403942      1.027507
  C      -7.556464      0.721795      1.961843
  N      -7.640364      1.725866      2.823207
  C      -8.765216      2.492180      2.801330
  H      -3.849439     -1.621893      4.926162
  H      -4.640527     -0.435708      3.875749
  H      -1.836409     -1.524960      3.271571
  H      -3.317377     -2.311439      2.711887
  H      -2.290361     -0.785466      0.991571
  H      -2.593855      0.609582      2.069001
  H      -5.710584     -1.553602     -0.452604
  H      -6.292875     -0.619496     -2.697228
  H      -4.239082      3.458495     -3.060651
  H      -2.880898      4.890136     -1.484577
  H      -2.489583      4.068456      0.842425
  H      -2.799301      5.905403      5.179714
  H      -3.905946      5.198783      6.358949
  H      -5.247327      6.208182      4.738153
  H      -5.405922      4.490768      4.379024
  H      -3.314833      4.972118      2.751139
  H      -4.043566      6.600000      2.702654
  H      -6.175303      7.277261      3.120974
  H      -8.423829      8.140163      2.620434
  H     -10.300593      5.442867     -0.585564
  H      -9.507017      3.389268     -1.824398
  H      -7.260959      2.443855     -1.270779
  H      -6.962201      1.481736      7.124246
  H      -6.717228      1.968605      5.436610
  H      -6.176879      4.357960      6.486109
  H      -7.149688      3.789349      7.849664
  H      -8.529384      5.016352      6.179210
  H      -9.058903      3.308217      6.260902
  H     -10.243835      5.125265      4.406415
  H     -11.986765      4.588682      2.719218
  H     -10.519188      0.981451      0.287400
  H      -8.424636     -0.435418      0.346290
  H      -6.636996      0.131554      2.002888
  N      -4.825685      2.196190      3.553148
  H      -5.864083      2.135504      3.451343
  H      -4.408449      2.317547      2.613616
101
Coordinates from ORCA-job orca E -6429.994945905350
  N      -2.961317      0.268037      4.933640
  Mo     -3.765992      2.055433      5.147249
  N      -5.004603      2.077571      6.639777
  C      -4.519960      2.103226      8.022589
  C      -3.170110      1.405956      8.106255
  N      -2.311722      1.852926      6.984306
  C      -1.291559      0.847022      6.608006
  C      -1.961648     -0.275828      5.849698
  C      -1.686202      3.177455      7.212630
  C      -1.514415      3.819869      5.842131
  N      -2.814728      3.800325      5.161160
  H      -1.196528     -0.853313      5.302272
  H      -2.450924     -0.990598      6.540096
  H      -0.564126      1.348135      5.956294
  H      -0.752273      0.474086      7.495574
  H      -1.139526      4.850558      5.940851
  H      -0.769433      3.271017      5.244978
  H      -2.373838      3.785289      7.816502
  H      -0.737639      3.075954      7.768051
  H      -5.237561      1.584699      8.681483
  H      -4.450800      3.145050      8.386302
  H      -3.320519      0.323433      7.997778
  H      -2.680182      1.588097      9.077950
  C      -3.664102     -0.811336      4.215594
  C      -2.874939     -1.344100      3.011061
  C      -2.903491     -0.409834      1.819821
  O      -4.280246     -0.384894      1.344009
  C      -4.540326      0.160349      0.126031
  C      -5.338747     -0.560953     -0.745475
  C      -5.660977     -0.021206     -2.006245
  N      -5.232036      1.150275     -2.452289
  C      -4.457128      1.882837     -1.601826
  C      -3.982438      3.146701     -2.029691
  C      -3.240233      3.917541     -1.165257
  C      -3.003004      3.436290      0.141135
  N      -3.414287      2.259595      0.587490
  C      -4.105387      1.462225     -0.276192
  C      -3.525030      5.086585      5.301773
  C      -4.701674      5.316950      4.361418
  C      -4.254867      5.529188      2.916414
  O      -5.173801      4.997794      1.943925
  C      -6.365998      5.597285      1.767777
  C      -6.805777      6.744927      2.411055
  C      -8.093812      7.245479      2.122435
  N      -8.942314      6.718646      1.255428
  C      -8.511788      5.606407      0.587038
  C      -9.353737      5.022631     -0.390881
  C      -8.917737      3.913046     -1.079267
  C      -7.645940      3.375235     -0.775824
  N      -6.826361      3.878504      0.135105
  C      -7.239654      4.987787      0.804515
  C      -6.452788      2.225754      6.494089
  C      -6.949132      3.661138      6.766430
  C      -8.208127      3.990314      5.980611
  O      -7.896450      3.725223      4.593742
  C      -8.925711      3.522226      3.738821
  C     -10.097435      4.255284      3.729335
  C     -11.083020      3.955752      2.762955
  N     -10.992485      2.989808      1.862307
  C      -9.852003      2.241535      1.877423
  C      -9.714301      1.167611      0.964014
  C      -8.573655      0.396100      0.993976
  C      -7.564007      0.703859      1.931587
  N      -7.646405      1.701300      2.800818
  C      -8.770266      2.468659      2.785066
  H      -3.853303     -1.636664      4.925563
  H      -4.640354     -0.450057      3.872520
  H      -1.824562     -1.520488      3.290642
  H      -3.292827     -2.319466      2.715895
  H      -2.265107     -0.787116      1.005517
  H      -2.581369      0.606636      2.080823
  H      -5.693642     -1.550693     -0.455464
  H      -6.290320     -0.600371     -2.689415
  H      -4.231729      3.476455     -3.039433
  H      -2.856508      4.893638     -1.463956
  H      -2.451460      4.055094      0.854706
  H      -2.785874      5.892266      5.139267
  H      -3.877216      5.207225      6.344827
  H      -5.252492      6.189620      4.739805
  H      -5.400125      4.470426      4.379405
  H      -3.333031      4.962209      2.732838
  H      -4.057149      6.591990      2.698282
  H      -6.185809      7.271788      3.133611
  H      -8.434526      8.143821      2.648353
  H     -10.329235      5.476302     -0.571327
  H      -9.538194      3.440566     -1.841872
  H      -7.288756      2.490115     -1.310762
  H      -6.958542      1.509591      7.166836
  H      -6.725016      1.953612      5.465861
  H      -6.160843      4.366720      6.466200
  H      -7.142394      3.831760      7.836017
  H      -8.490767      5.045859      6.120551
  H      -9.060120      3.355327      6.274200
  H     -10.256651      5.072528      4.432450
  H     -11.996486      4.557701      2.737872
  H     -10.526268      0.982004      0.259173
  H      -8.433590     -0.437978      0.305911
  H      -6.647080      0.109714      1.970511
  N      -4.835671      2.179286      3.562607
  H      -5.873528      2.111774      3.452497
  H      -4.411440      2.293506      2.625523
101
Coordinates from ORCA-job orca E -6429.995172313753
  N      -2.969465      0.256354      4.950746
  Mo     -3.773105      2.045135      5.155437
  N      -5.003452      2.085315      6.655011
  C      -4.510804      2.132993      8.034268
  C      -3.164140      1.430580      8.121704
  N      -2.309229      1.856463      6.988983
  C      -1.298408      0.837789      6.621641
  C      -1.981075     -0.287872      5.879076
  C      -1.673603      3.179719      7.195241
  C      -1.506883      3.802939      5.815097
  N      -2.811987      3.783254      5.143256
  H      -1.222864     -0.884909      5.343509
  H      -2.484125     -0.983488      6.579076
  H      -0.569168      1.324095      5.960697
  H      -0.759404      0.471892      7.512249
  H      -1.125286      4.832548      5.897818
  H      -0.769612      3.241245      5.220357
  H      -2.352484      3.800391      7.795906
  H      -0.721865      3.079189      7.745272
  H      -5.227045      1.629886      8.706433
  H      -4.433963      3.180497      8.379815
  H      -3.320039      0.347372      8.029968
  H      -2.668562      1.624755      9.088185
  C      -3.663396     -0.823169      4.224028
  C      -2.863411     -1.348351      3.023909
  C      -2.890954     -0.411381      1.834737
  O      -4.265008     -0.394000      1.350775
  C      -4.526769      0.161507      0.138114
  C      -5.331598     -0.552038     -0.734136
  C      -5.662174     -0.002594     -1.988032
  N      -5.235511      1.171965     -2.428038
  C      -4.452392      1.896012     -1.578181
  C      -3.979196      3.162298     -2.000554
  C      -3.227584      3.925105     -1.137298
  C      -2.979265      3.433421      0.162867
  N      -3.390094      2.254752      0.604804
  C      -4.090654      1.464951     -0.258414
  C      -3.510491      5.077629      5.269514
  C      -4.695733      5.299625      4.338214
  C      -4.258659      5.507597      2.889933
  O      -5.187298      4.981003      1.924485
  C      -6.379613      5.584303      1.762580
  C      -6.814372      6.722359      2.425832
  C      -8.104727      7.226599      2.154847
  N      -8.960981      6.710848      1.289032
  C      -8.535451      5.609014      0.600502
  C      -9.385393      5.039436     -0.378738
  C      -8.952644      3.943817     -1.090978
  C      -7.676403      3.404856     -0.809484
  N      -6.850419      3.893603      0.103501
  C      -7.260535      4.989414      0.796500
  C      -6.452545      2.232973      6.515041
  C      -6.945847      3.674207      6.762815
  C      -8.201673      4.000328      5.968704
  O      -7.899611      3.690621      4.589794
  C      -8.930194      3.498281      3.735199
  C     -10.108700      4.220819      3.741809
  C     -11.092419      3.931181      2.770399
  N     -10.996076      2.983061      1.852015
  C      -9.850484      2.242153      1.853393
  C      -9.707361      1.183434      0.923304
  C      -8.562512      0.417476      0.940703
  C      -7.554278      0.715615      1.882477
  N      -7.641828      1.699734      2.766293
  C      -8.769501      2.461304      2.763103
  H      -3.854726     -1.651362      4.930024
  H      -4.638233     -0.463759      3.875446
  H      -1.813264     -1.517452      3.309093
  H      -3.271314     -2.326480      2.724210
  H      -2.245569     -0.782685      1.023265
  H      -2.577098      0.606543      2.099710
  H      -5.686173     -1.543133     -0.448641
  H      -6.297488     -0.575657     -2.670670
  H      -4.237191      3.500243     -3.005288
  H      -2.844201      4.902536     -1.431593
  H      -2.418781      4.045782      0.875062
  H      -2.766710      5.873821      5.083131
  H      -3.847396      5.220285      6.314726
  H      -5.248294      6.171348      4.716163
  H      -5.389113      4.449981      4.364181
  H      -3.341310      4.935531      2.699683
  H      -4.056772      6.569285      2.670318
  H      -6.188586      7.238664      3.151010
  H      -8.441290      8.117142      2.696303
  H     -10.363675      5.493520     -0.541838
  H      -9.578459      3.483294     -1.856428
  H      -7.320706      2.532060     -1.364862
  H      -6.953961      1.531135      7.205704
  H      -6.731240      1.938692      5.495231
  H      -6.152856      4.372951      6.460295
  H      -7.144781      3.859218      7.828940
  H      -8.465758      5.064148      6.078628
  H      -9.063637      3.389132      6.283583
  H     -10.276748      5.021753      4.461224
  H     -12.010368      4.526548      2.757699
  H     -10.518939      1.003853      0.216592
  H      -8.418814     -0.405432      0.240171
  H      -6.634979      0.124310      1.913139
  N      -4.845262      2.154222      3.571728
  H      -5.881831      2.074447      3.451272
  H      -4.413359      2.277226      2.639527
101
Coordinates from ORCA-job orca E -6429.995264273854
  N      -2.982310      0.247467      4.961755
  Mo     -3.785522      2.037135      5.165156
  N      -5.000462      2.085398      6.677582
  C      -4.493877      2.149601      8.050948
  C      -3.148860      1.443945      8.132835
  N      -2.303869      1.856385      6.987718
  C      -1.301451      0.829481      6.621637
  C      -1.996300     -0.297035      5.892243
  C      -1.659959      3.177800      7.177907
  C      -1.508061      3.792454      5.792191
  N      -2.821197      3.772430      5.136844
  H      -1.245624     -0.906023      5.359838
  H      -2.503904     -0.980447      6.600958
  H      -0.573107      1.305445      5.952105
  H      -0.759831      0.467042      7.512018
  H      -1.122397      4.821274      5.864230
  H      -0.780207      3.224045      5.192244
  H      -2.327816      3.805551      7.783503
  H      -0.701611      3.076207      7.715958
  H      -5.204608      1.657810      8.737075
  H      -4.409455      3.200977      8.382893
  H      -3.309145      0.360532      8.052950
  H      -2.643298      1.645873      9.092474
  C      -3.669101     -0.832791      4.229724
  C      -2.857333     -1.352057      3.034725
  C      -2.878555     -0.413874      1.845949
  O      -4.246404     -0.407141      1.345758
  C      -4.504584      0.154343      0.135039
  C      -5.300497     -0.561199     -0.743998
  C      -5.632822     -0.007740     -1.995273
  N      -5.216953      1.173777     -2.426850
  C      -4.441382      1.899241     -1.571708
  C      -3.980619      3.173016     -1.985572
  C      -3.234806      3.936396     -1.117803
  C      -2.979073      3.437274      0.177611
  N      -3.380410      2.252699      0.612849
  C      -4.076316      1.462810     -0.254249
  C      -3.510967      5.072141      5.253895
  C      -4.704562      5.286755      4.330687
  C      -4.274297      5.499028      2.880385
  O      -5.206685      4.978912      1.915728
  C      -6.395340      5.589308      1.752769
  C      -6.826989      6.726493      2.419511
  C      -8.113728      7.238312      2.145594
  N      -8.969146      6.729960      1.274669
  C      -8.545872      5.630064      0.581741
  C      -9.393392      5.070569     -0.405307
  C      -8.959737      3.980508     -1.125644
  C      -7.685916      3.436270     -0.843586
  N      -6.863274      3.914710      0.077693
  C      -7.274082      5.004848      0.778794
  C      -6.451391      2.228754      6.552080
  C      -6.942361      3.674609      6.778329
  C      -8.192841      3.997667      5.973289
  O      -7.897172      3.645332      4.604428
  C      -8.927978      3.471476      3.747238
  C     -10.103752      4.198662      3.762012
  C     -11.086774      3.925536      2.785064
  N     -10.994017      2.988341      1.855480
  C      -9.852864      2.240486      1.850635
  C      -9.715587      1.189573      0.911107
  C      -8.576477      0.414917      0.923955
  C      -7.568234      0.696991      1.870109
  N      -7.650036      1.674306      2.762144
  C      -8.772105      2.443791      2.763999
  H      -3.861486     -1.663351      4.932635
  H      -4.642833     -0.475876      3.875671
  H      -1.808365     -1.515204      3.327825
  H      -3.257072     -2.332078      2.730468
  H      -2.220856     -0.779201      1.041734
  H      -2.575471      0.606057      2.115405
  H      -5.647780     -1.556472     -0.464399
  H      -6.261451     -0.582311     -2.682712
  H      -4.242801      3.515586     -2.987546
  H      -2.859930      4.919254     -1.404307
  H      -2.417659      4.048304      0.890378
  H      -2.765424      5.861460      5.046626
  H      -3.833754      5.230933      6.301124
  H      -5.262187      6.153817      4.711321
  H      -5.390417      4.431000      4.359120
  H      -3.359325      4.925219      2.683841
  H      -4.070313      6.561139      2.664616
  H      -6.201212      7.236700      3.148741
  H      -8.448252      8.128174      2.689305
  H     -10.369583      5.528727     -0.569009
  H      -9.582501      3.528873     -1.898682
  H      -7.328087      2.569196     -1.406404
  H      -6.944057      1.539710      7.261541
  H      -6.740792      1.913786      5.541581
  H      -6.144304      4.366434      6.474599
  H      -7.148849      3.872193      7.840751
  H      -8.439125      5.068489      6.052659
  H      -9.064622      3.410302      6.306599
  H     -10.272054      4.989447      4.492273
  H     -12.002005      4.525066      2.778695
  H     -10.527383      1.021350      0.201974
  H      -8.438128     -0.403183      0.216831
  H      -6.654408      0.097553      1.898428
  N      -4.870828      2.138079      3.587386
  H      -5.908614      2.075455      3.467543
  H      -4.439974      2.286576      2.659183
101
Coordinates from ORCA-job orca E -6429.995324936911
  N      -2.982165      0.236116      4.969890
  Mo     -3.794939      2.023947      5.171869
  N      -5.000133      2.078498      6.692346
  C      -4.484701      2.159336      8.061594
  C      -3.140176      1.453829      8.143517
  N      -2.301446      1.855589      6.989754
  C      -1.302390      0.823868      6.628193
  C      -2.001725     -0.304759      5.908297
  C      -1.654267      3.177813      7.164756
  C      -1.514229      3.783197      5.773471
  N      -2.833304      3.759581      5.129728
  H      -1.253817     -0.923658      5.383406
  H      -2.514893     -0.978561      6.622539
  H      -0.573614      1.292965      5.954032
  H      -0.760117      0.466212      7.520243
  H      -1.127468      4.812324      5.835035
  H      -0.791817      3.209807      5.171558
  H      -2.315300      3.810528      7.772834
  H      -0.691040      3.078247      7.694593
  H      -5.191904      1.677428      8.758325
  H      -4.396578      3.214605      8.380457
  H      -3.300951      0.369700      8.074437
  H      -2.629113      1.664621      9.098411
  C      -3.650709     -0.850415      4.229095
  C      -2.822073     -1.358066      3.041070
  C      -2.845257     -0.419520      1.853403
  O      -4.210323     -0.432394      1.345876
  C      -4.477961      0.135019      0.140938
  C      -5.281343     -0.576840     -0.734480
  C      -5.634036     -0.013466     -1.975919
  N      -5.231069      1.174728     -2.402000
  C      -4.446000      1.895243     -1.551091
  C      -3.997959      3.175641     -1.958982
  C      -3.242280      3.933585     -1.095063
  C      -2.962311      3.420909      0.190636
  N      -3.351292      2.230700      0.620183
  C      -4.058727      1.447484     -0.243472
  C      -3.521339      5.060657      5.242100
  C      -4.728545      5.263783      4.333522
  C      -4.312444      5.482365      2.880078
  O      -5.247980      4.962120      1.917841
  C      -6.430519      5.582802      1.748852
  C      -6.852325      6.726584      2.410918
  C      -8.131864      7.253012      2.130163
  N      -8.988524      6.753900      1.255215
  C      -8.573426      5.649273      0.564340
  C      -9.421277      5.101070     -0.428612
  C      -8.995208      4.008468     -1.149472
  C      -7.728057      3.450606     -0.862773
  N      -6.906144      3.917054      0.065851
  C      -7.309880      5.008922      0.768530
  C      -6.452087      2.225399      6.576569
  C      -6.933340      3.677345      6.787417
  C      -8.177099      4.005426      5.974418
  O      -7.886731      3.619128      4.614976
  C      -8.915462      3.467067      3.753785
  C     -10.089718      4.196568      3.775612
  C     -11.069710      3.940026      2.790253
  N     -10.975627      3.017556      1.846157
  C      -9.835456      2.267482      1.834364
  C      -9.694932      1.232019      0.878287
  C      -8.557551      0.455046      0.884437
  C      -7.553881      0.719237      1.840945
  N      -7.638283      1.682603      2.747689
  C      -8.758524      2.454196      2.755586
  H      -3.839750     -1.683976      4.929392
  H      -4.625551     -0.504473      3.867429
  H      -1.773360     -1.508574      3.342601
  H      -3.206608     -2.342987      2.732490
  H      -2.176857     -0.774243      1.053178
  H      -2.558161      0.604250      2.126020
  H      -5.622034     -1.575493     -0.458179
  H      -6.269276     -0.585525     -2.659697
  H      -4.278178      3.527283     -2.953072
  H      -2.878031      4.922343     -1.375946
  H      -2.390536      4.026374      0.899903
  H      -2.778373      5.846757      5.014003
  H      -3.827323      5.231303      6.292402
  H      -5.292575      6.122988      4.721920
  H      -5.404785      4.399236      4.366466
  H      -3.396869      4.912007      2.677263
  H      -4.112596      6.545735      2.665525
  H      -6.223398      7.231973      3.140709
  H      -8.457814      8.148215      2.670692
  H     -10.391903      5.569780     -0.596542
  H      -9.619304      3.564615     -1.926246
  H      -7.375483      2.582285     -1.427613
  H      -6.940559      1.548365      7.300266
  H      -6.751308      1.895910      5.573368
  H      -6.126696      4.359854      6.485057
  H      -7.145769      3.884522      7.847030
  H      -8.404265      5.082114      6.029637
  H      -9.059373      3.441403      6.320487
  H     -10.261124      4.976355      4.517051
  H     -11.983395      4.542313      2.790364
  H     -10.502577      1.078085      0.161019
  H      -8.416720     -0.351426      0.164291
  H      -6.642384      0.116711      1.864601
  N      -4.884933      2.112677      3.599532
  H      -5.919660      2.016793      3.470992
  H      -4.448311      2.230517      2.668931
101
Coordinates from ORCA-job orca E -6429.995354520932
  N      -2.974403      0.228653      4.981379
  Mo     -3.784797      2.018944      5.170536
  N      -4.994844      2.088945      6.686237
  C      -4.483737      2.182737      8.056394
  C      -3.141700      1.473487      8.150137
  N      -2.297048      1.860234      6.995262
  C      -1.301172      0.820570      6.646121
  C      -2.001204     -0.309845      5.928895
  C      -1.643317      3.180950      7.158852
  C      -1.496513      3.771131      5.761600
  N      -2.814515      3.749391      5.115228
  H      -1.252786     -0.934863      5.411950
  H      -2.520333     -0.978061      6.644213
  H      -0.566105      1.282044      5.973461
  H      -0.765472      0.466316      7.543574
  H      -1.103446      4.798471      5.813327
  H      -0.776234      3.187115      5.167320
  H      -2.301869      3.823299      7.759569
  H      -0.681633      3.081255      7.691589
  H      -5.194786      1.710222      8.755701
  H      -4.393833      3.241058      8.364717
  H      -3.306212      0.389268      8.090864
  H      -2.633071      1.691448      9.104769
  C      -3.642135     -0.858327      4.239900
  C      -2.815509     -1.364547      3.050025
  C      -2.837310     -0.419907      1.867032
  O      -4.204956     -0.420507      1.365101
  C      -4.477864      0.159483      0.167524
  C      -5.296834     -0.538753     -0.704747
  C      -5.656346      0.035932     -1.939059
  N      -5.245955      1.222755     -2.361929
  C      -4.445758      1.930290     -1.514089
  C      -3.989763      3.208882     -1.918964
  C      -3.220321      3.955666     -1.057660
  C      -2.935260      3.434017      0.223428
  N      -3.330505      2.244663      0.649724
  C      -4.050288      1.471080     -0.212731
  C      -3.494359      5.056668      5.212960
  C      -4.703385      5.259739      4.306778
  C      -4.295686      5.466072      2.849620
  O      -5.245390      4.948329      1.899680
  C      -6.427964      5.572943      1.745372
  C      -6.842178      6.712028      2.420358
  C      -8.125107      7.240190      2.158351
  N      -8.991728      6.747257      1.289554
  C      -8.584418      5.647288      0.586463
  C      -9.444747      5.104408     -0.398748
  C      -9.028495      4.014966     -1.130098
  C      -7.757970      3.455427     -0.862255
  N      -6.924426      3.916395      0.058948
  C      -7.318916      5.004994      0.772123
  C      -6.447565      2.227220      6.563167
  C      -6.938276      3.678458      6.758893
  C      -8.184639      3.992713      5.944300
  O      -7.898086      3.591903      4.588405
  C      -8.928524      3.444215      3.728683
  C     -10.097336      4.182525      3.749202
  C     -11.081181      3.929209      2.766637
  N     -10.994267      3.004351      1.824226
  C      -9.858024      2.248071      1.811482
  C      -9.722620      1.213966      0.853123
  C      -8.588205      0.432494      0.855925
  C      -7.582591      0.690160      1.812489
  N      -7.662968      1.651248      2.721874
  C      -8.779351      2.428372      2.732009
  H      -3.832386     -1.692114      4.939626
  H      -4.616779     -0.511690      3.878128
  H      -1.767080     -1.520517      3.349643
  H      -3.204466     -2.346789      2.737890
  H      -2.174231     -0.774250      1.062173
  H      -2.543008      0.600415      2.143840
  H      -5.644434     -1.535983     -0.431609
  H      -6.303137     -0.526300     -2.620367
  H      -4.275707      3.568290     -2.908757
  H      -2.850619      4.943221     -1.336054
  H      -2.353641      4.031537      0.931788
  H      -2.746418      5.835043      4.974528
  H      -3.796128      5.240848      6.262149
  H      -5.262277      6.124193      4.691521
  H      -5.382820      4.399022      4.349118
  H      -3.386929      4.886756      2.642062
  H      -4.088666      6.526498      2.627699
  H      -6.205469      7.211485      3.147732
  H      -8.444807      8.131334      2.709490
  H     -10.417601      5.573874     -0.551692
  H      -9.663362      3.573834     -1.899868
  H      -7.413963      2.589170     -1.435429
  H      -6.933400      1.554917      7.292943
  H      -6.742340      1.884895      5.562597
  H      -6.134982      4.363021      6.451523
  H      -7.153011      3.893581      7.816472
  H      -8.414382      5.069500      5.987043
  H      -9.064768      3.430943      6.299042
  H     -10.261885      4.967041      4.487278
  H     -11.990621      4.538131      2.766636
  H     -10.530857      1.066700      0.134914
  H      -8.450691     -0.372046      0.132853
  H      -6.673001      0.084120      1.833489
  N      -4.865498      2.097350      3.593714
  H      -5.900714      2.013448      3.458683
  H      -4.422888      2.213036      2.666287
101
Coordinates from ORCA-job orca E -6429.995330218213
  N      -2.965308      0.233131      4.988561
  Mo     -3.783233      2.019092      5.174256
  N      -4.987714      2.080235      6.695233
  C      -4.472180      2.175981      8.063286
  C      -3.123975      1.476977      8.150629
  N      -2.287778      1.870855      6.992222
  C      -1.285119      0.839034      6.640122
  C      -1.981074     -0.297351      5.928163
  C      -1.642972      3.195243      7.156325
  C      -1.506743      3.789699      5.760344
  N      -2.827270      3.758368      5.121864
  H      -1.231871     -0.916408      5.405443
  H      -2.488751     -0.968849      6.648305
  H      -0.556055      1.304997      5.964372
  H      -0.744270      0.488520      7.535703
  H      -1.121222      4.819669      5.813322
  H      -0.785397      3.212257      5.161173
  H      -2.303797      3.831868      7.760310
  H      -0.678429      3.101821      7.684466
  H      -5.176607      1.697153      8.764836
  H      -4.389130      3.234403      8.372619
  H      -3.281585      0.391827      8.091145
  H      -2.612263      1.697804      9.102655
  C      -3.639515     -0.856874      4.259851
  C      -2.823845     -1.369871      3.064766
  C      -2.851223     -0.427766      1.878755
  O      -4.220804     -0.420298      1.384510
  C      -4.495988      0.150906      0.182269
  C      -5.327858     -0.549302     -0.676249
  C      -5.685888      0.012102     -1.916358
  N      -5.262707      1.187078     -2.357887
  C      -4.449710      1.896830     -1.525092
  C      -3.977913      3.161876     -1.952856
  C      -3.189768      3.909379     -1.109477
  C      -2.903578      3.404602      0.176957
  N      -3.317566      2.229529      0.626736
  C      -4.053817      1.452162     -0.218939
  C      -3.516578      5.058764      5.224841
  C      -4.726025      5.248584      4.316633
  C      -4.315314      5.463980      2.861094
  O      -5.260430      4.950015      1.905723
  C      -6.445545      5.570168      1.753624
  C      -6.874059      6.689928      2.451067
  C      -8.158109      7.214385      2.189368
  N      -9.012964      6.734798      1.302044
  C      -8.591739      5.655067      0.577202
  C      -9.437643      5.131518     -0.430602
  C      -9.004478      4.065683     -1.186484
  C      -7.733340      3.508624     -0.918899
  N      -6.913255      3.951811      0.022148
  C      -7.323260      5.018508      0.759130
  C      -6.441270      2.208295      6.579529
  C      -6.943095      3.654645      6.783286
  C      -8.189001      3.966555      5.965664
  O      -7.893551      3.589053      4.604591
  C      -8.919809      3.448768      3.736078
  C     -10.090414      4.184404      3.762429
  C     -11.070324      3.942356      2.774135
  N     -10.979247      3.029007      1.821390
  C      -9.842732      2.274360      1.802448
  C      -9.706830      1.248506      0.835639
  C      -8.572269      0.467095      0.832599
  C      -7.567596      0.717503      1.790800
  N      -7.648864      1.669990      2.709258
  C      -8.765817      2.446055      2.726658
  H      -3.824470     -1.688036      4.963897
  H      -4.616293     -0.510192      3.904339
  H      -1.773774     -1.528228      3.355659
  H      -3.220086     -2.350954      2.759222
  H      -2.194781     -0.787573      1.071081
  H      -2.549626      0.591438      2.151320
  H      -5.685695     -1.538171     -0.387805
  H      -6.342835     -0.550693     -2.586729
  H      -4.264797      3.509770     -2.946076
  H      -2.805367      4.885684     -1.405075
  H      -2.303083      4.003569      0.868237
  H      -2.777549      5.845821      4.987629
  H      -3.821346      5.237768      6.273952
  H      -5.296359      6.106054      4.700264
  H      -5.394401      4.380014      4.355654
  H      -3.403933      4.889951      2.650093
  H      -4.113192      6.526836      2.647651
  H      -6.248507      7.175537      3.197193
  H      -8.490817      8.088831      2.758406
  H     -10.411627      5.598104     -0.582615
  H      -9.625691      3.642650     -1.976656
  H      -7.375745      2.660961     -1.510536
  H      -6.919450      1.529632      7.308381
  H      -6.736874      1.868861      5.579712
  H      -6.143990      4.346787      6.482577
  H      -7.162658      3.859879      7.841468
  H      -8.429372      5.040206      6.022773
  H      -9.064992      3.391367      6.308382
  H     -10.259470      4.957062      4.511360
  H     -11.981569      4.547817      2.779285
  H     -10.515834      1.104658      0.118189
  H      -8.435077     -0.331755      0.103721
  H      -6.658490      0.111179      1.807963
  N      -4.871795      2.090502      3.596674
  H      -5.906426      2.001180      3.466333
  H      -4.436750      2.246001      2.672201
101
Coordinates from ORCA-job orca E -6429.995354993630
  N      -2.982115      0.228788      4.974880
  Mo     -3.799288      2.014601      5.172089
  N      -4.992529      2.077008      6.702015
  C      -4.466661      2.167662      8.066487
  C      -3.120188      1.465350      8.142490
  N      -2.291510      1.861875      6.979933
  C      -1.291841      0.830413      6.618899
  C      -1.992003     -0.303882      5.907445
  C      -1.646931      3.187042      7.141981
  C      -1.518941      3.783229      5.745707
  N      -2.842220      3.752410      5.111616
  H      -1.244786     -0.919748      5.377887
  H      -2.494150     -0.979875      6.627325
  H      -0.566424      1.298142      5.940431
  H      -0.745512      0.477453      7.510200
  H      -1.133472      4.813370      5.797150
  H      -0.799765      3.206961      5.142806
  H      -2.304695      3.821920      7.751183
  H      -0.679200      3.093745      7.664414
  H      -5.167452      1.688930      8.771796
  H      -4.378552      3.225108      8.377717
  H      -3.279839      0.380562      8.080471
  H      -2.601731      1.682242      9.091820
  C      -3.653497     -0.860488      4.241318
  C      -2.829947     -1.372277      3.051009
  C      -2.847291     -0.431612      1.864257
  O      -4.209362     -0.436164      1.349020
  C      -4.469595      0.146071      0.149584
  C      -5.275003     -0.551498     -0.735798
  C      -5.616968      0.025392     -1.973697
  N      -5.201262      1.213000     -2.388392
  C      -4.413191      1.919151     -1.528581
  C      -3.948683      3.196842     -1.925744
  C      -3.185227      3.938973     -1.055103
  C      -2.915404      3.414518      0.227576
  N      -3.323808      2.227548      0.649060
  C      -4.036543      1.457881     -0.222818
  C      -3.532083      5.052598      5.215903
  C      -4.742325      5.242815      4.308620
  C      -4.330475      5.461226      2.854001
  O      -5.267581      4.938721      1.894972
  C      -6.454371      5.552404      1.730698
  C      -6.891769      6.677956      2.413257
  C      -8.177207      7.193169      2.139314
  N      -9.026191      6.698522      1.254419
  C      -8.595984      5.612224      0.544482
  C      -9.435741      5.069913     -0.458577
  C      -8.993942      3.996687     -1.198938
  C      -7.718914      3.452391     -0.921979
  N      -6.904716      3.913055      0.015583
  C      -7.324313      4.985604      0.738195
  C      -6.445856      2.217201      6.598861
  C      -6.933524      3.666821      6.813037
  C      -8.179268      3.990679      6.001161
  O      -7.886216      3.618724      4.637651
  C      -8.914442      3.485155      3.770742
  C     -10.076298      4.234482      3.790260
  C     -11.056986      3.998086      2.800954
  N     -10.974827      3.077608      1.854117
  C      -9.846571      2.310333      1.842016
  C      -9.719344      1.277849      0.880987
  C      -8.594117      0.483452      0.885934
  C      -7.589083      0.727972      1.845768
  N      -7.661142      1.687261      2.757722
  C      -8.769724      2.475455      2.767511
  H      -3.839921     -1.692234      4.944235
  H      -4.629398     -0.515538      3.882018
  H      -1.782328     -1.530644      3.351083
  H      -3.222891     -2.353656      2.742124
  H      -2.177160     -0.787373      1.066103
  H      -2.556570      0.590232      2.139800
  H      -5.625361     -1.549408     -0.469896
  H      -6.254114     -0.535024     -2.664952
  H      -4.221300      3.558283     -2.918214
  H      -2.807815      4.924879     -1.327306
  H      -2.337348      4.008331      0.941781
  H      -2.792979      5.839802      4.979491
  H      -3.836546      5.230170      6.265342
  H      -5.313168      6.098676      4.694807
  H      -5.410994      4.373234      4.346092
  H      -3.414042      4.893918      2.646698
  H      -4.135362      6.525240      2.639323
  H      -6.272030      7.175704      3.156078
  H      -8.516679      8.072272      2.697157
  H     -10.412671      5.527719     -0.618728
  H      -9.611381      3.558010     -1.983587
  H      -7.353033      2.600201     -1.502550
  H      -6.923741      1.538104      7.327543
  H      -6.752019      1.886104      5.599460
  H      -6.129947      4.353307      6.511205
  H      -7.146345      3.869877      7.873112
  H      -8.415402      5.064852      6.065433
  H      -9.056952      3.416201      6.341098
  H     -10.237233      5.014300      4.533625
  H     -11.961265      4.613970      2.801137
  H     -10.527062      1.140734      0.160661
  H      -8.463262     -0.320317      0.161271
  H      -6.686118      0.112638      1.867095
  N      -4.899527      2.090659      3.606186
  H      -5.936183      2.006980      3.486196
  H      -4.472454      2.238411      2.675831
101
Coordinates from ORCA-job orca E -6429.995393315893
  N      -2.970666      0.229253      4.981201
  Mo     -3.788596      2.015717      5.175537
  N      -4.989694      2.080513      6.698913
  C      -4.471110      2.174582      8.066233
  C      -3.126351      1.469488      8.151232
  N      -2.290005      1.861312      6.992178
  C      -1.291209      0.826647      6.637461
  C      -1.989438     -0.305548      5.921782
  C      -1.641757      3.184951      7.153907
  C      -1.506384      3.778465      5.756926
  N      -2.827754      3.751253      5.118161
  H      -1.240512     -0.925190      5.398904
  H      -2.499709     -0.978983      6.638617
  H      -0.559991      1.292146      5.963404
  H      -0.751189      0.472430      7.532303
  H      -1.117617      4.807478      5.808110
  H      -0.786791      3.198847      5.157471
  H      -2.299475      3.823051      7.759978
  H      -0.676085      3.089230      7.680106
  H      -5.176459      1.699246      8.769385
  H      -4.382665      3.232891      8.375039
  H      -3.287859      0.384819      8.090657
  H      -2.612823      1.687265      9.103266
  C      -3.635481     -0.862494      4.243776
  C      -2.808223     -1.370653      3.054893
  C      -2.834757     -0.431231      1.868192
  O      -4.200362     -0.450899      1.361367
  C      -4.478361      0.128212      0.164984
  C      -5.288494     -0.576255     -0.710753
  C      -5.652022     -0.001464     -1.943800
  N      -5.252625      1.190685     -2.362718
  C      -4.460171      1.903255     -1.511895
  C      -4.013084      3.186317     -1.912653
  C      -3.248176      3.935542     -1.049004
  C      -2.959866      3.411795      0.230683
  N      -3.349166      2.219637      0.653510
  C      -4.062807      1.443913     -0.211483
  C      -3.513274      5.055122      5.220781
  C      -4.727220      5.254805      4.319465
  C      -4.324272      5.468460      2.861857
  O      -5.271823      4.950925      1.909500
  C      -6.449068      5.582471      1.741576
  C      -6.864008      6.724603      2.410962
  C      -8.139035      7.262582      2.131397
  N      -8.996947      6.776317      1.250287
  C      -8.588173      5.673834      0.552253
  C      -9.437617      5.139484     -0.447082
  C      -9.018222      4.048864     -1.175090
  C      -7.756317      3.478892     -0.888980
  N      -6.933475      3.931892      0.045461
  C      -7.330260      5.021883      0.755282
  C      -6.443158      2.215389      6.584965
  C      -6.937013      3.665309      6.785099
  C      -8.183543      3.977644      5.970354
  O      -7.890887      3.586800      4.612285
  C      -8.916532      3.448915      3.744395
  C     -10.084949      4.187955      3.764449
  C     -11.063763      3.943346      2.774858
  N     -10.972540      3.025430      1.825963
  C      -9.835937      2.270001      1.811738
  C      -9.696090      1.243608      0.845756
  C      -8.560679      0.463513      0.846280
  C      -7.558871      0.715060      1.808184
  N      -7.643596      1.668112      2.725664
  C      -8.761449      2.443257      2.738715
  H      -3.820306     -1.694693      4.946861
  H      -4.612240     -0.522160      3.881836
  H      -1.759362     -1.522854      3.354893
  H      -3.194836     -2.354932      2.746513
  H      -2.165048     -0.781724      1.067100
  H      -2.551848      0.593379      2.141792
  H      -5.626406     -1.577738     -0.441047
  H      -6.292743     -0.567764     -2.627500
  H      -4.300942      3.546328     -2.901639
  H      -2.884284      4.925950     -1.325029
  H      -2.382783      4.010145      0.941850
  H      -2.770069      5.837416      4.980740
  H      -3.812428      5.235406      6.271429
  H      -5.289658      6.114599      4.709317
  H      -5.401609      4.389886      4.361542
  H      -3.413492      4.893438      2.651141
  H      -4.121638      6.530443      2.643176
  H      -6.233392      7.219876      3.146319
  H      -8.459878      8.155730      2.678593
  H     -10.404181      5.616999     -0.614201
  H      -9.643634      3.615730     -1.956960
  H      -7.408660      2.612389     -1.460064
  H      -6.923456      1.540598      7.316070
  H      -6.741811      1.874289      5.585303
  H      -6.135820      4.352430      6.478280
  H      -7.151606      3.876865      7.843353
  H      -8.420007      5.052658      6.019651
  H      -9.061054      3.407985      6.319267
  H     -10.253502      4.965646      4.508737
  H     -11.973640      4.551527      2.775931
  H     -10.502228      1.100574      0.124359
  H      -8.419523     -0.334806      0.117044
  H      -6.648055      0.110878      1.826424
  N      -4.878275      2.091061      3.602774
  H      -5.914997      2.016873      3.473866
  H      -4.439343      2.194493      2.671888
101
Coordinates from ORCA-job orca E -6429.995440013634
  N      -2.965483      0.224697      4.987246
  Mo     -3.787392      2.009338      5.175806
  N      -4.989233      2.078151      6.698717
  C      -4.471276      2.177887      8.065754
  C      -3.125132      1.475646      8.153835
  N      -2.289430      1.864454      6.993370
  C      -1.288598      0.830022      6.642970
  C      -1.985496     -0.306002      5.931493
  C      -1.643328      3.189492      7.150774
  C      -1.507295      3.776979      5.751478
  N      -2.828239      3.745963      5.112509
  H      -1.235977     -0.927945      5.412359
  H      -2.496530     -0.975947      6.650934
  H      -0.558000      1.294087      5.967435
  H      -0.748648      0.479877      7.539374
  H      -1.119355      4.806449      5.798708
  H      -0.787082      3.195229      5.154980
  H      -2.302944      3.829322      7.752825
  H      -0.678345      3.097601      7.678728
  H      -5.176178      1.703784      8.770141
  H      -4.384968      3.237347      8.370888
  H      -3.285031      0.390566      8.097356
  H      -2.611820      1.697877      9.104825
  C      -3.630384     -0.866862      4.250800
  C      -2.805557     -1.371933      3.058650
  C      -2.830359     -0.426753      1.875678
  O      -4.196761     -0.431033      1.371694
  C      -4.473543      0.150304      0.175539
  C      -5.299887     -0.546318     -0.691389
  C      -5.664274      0.027671     -1.924134
  N      -5.251333      1.211740     -2.351739
  C      -4.442889      1.917281     -1.510553
  C      -3.980965      3.191321     -1.922630
  C      -3.198971      3.934950     -1.070017
  C      -2.909970      3.416755      0.211145
  N      -3.313994      2.232862      0.645564
  C      -4.042681      1.459675     -0.210205
  C      -3.515265      5.048766      5.211160
  C      -4.730213      5.240512      4.309841
  C      -4.328345      5.452446      2.851658
  O      -5.277325      4.934045      1.901805
  C      -6.457261      5.561933      1.741222
  C      -6.878051      6.692814      2.425655
  C      -8.157465      7.225115      2.156115
  N      -9.014476      6.743585      1.271727
  C      -8.600059      5.652802      0.559062
  C      -9.448539      5.124786     -0.444322
  C      -9.023119      4.046891     -1.187516
  C      -7.756246      3.482836     -0.912366
  N      -6.934472      3.929434      0.025936
  C      -7.337290      5.007284      0.750580
  C      -6.442661      2.213445      6.584931
  C      -6.935100      3.664152      6.783442
  C      -8.182812      3.976844      5.970405
  O      -7.893679      3.582923      4.612866
  C      -8.920749      3.453719      3.745116
  C     -10.084831      4.199528      3.767319
  C     -11.064868      3.963302      2.777097
  N     -10.979122      3.047348      1.825960
  C      -9.847783      2.284315      1.810601
  C      -9.715303      1.257505      0.844111
  C      -8.585768      0.468938      0.844632
  C      -7.582629      0.712527      1.806833
  N      -7.660617      1.665469      2.724880
  C      -8.772413      2.448858      2.737818
  H      -3.814262     -1.700666      4.952077
  H      -4.607533     -0.525344      3.891297
  H      -1.756561     -1.527689      3.355580
  H      -3.195769     -2.353843      2.747527
  H      -2.165257     -0.778521      1.071397
  H      -2.539220      0.594149      2.153281
  H      -5.649622     -1.541705     -0.414879
  H      -6.317665     -0.532624     -2.600444
  H      -4.271109      3.549068     -2.911619
  H      -2.822383      4.917886     -1.354563
  H      -2.316797      4.012138      0.911834
  H      -2.774483      5.832036      4.966858
  H      -3.813811      5.233086      6.261227
  H      -5.295891      6.099484      4.696902
  H      -5.401374      4.373471      4.354365
  H      -3.417491      4.878298      2.639137
  H      -4.127553      6.514597      2.632659
  H      -6.249440      7.182262      3.166598
  H      -8.483291      8.108869      2.715138
  H     -10.418897      5.597258     -0.602697
  H      -9.647297      3.619534     -1.973336
  H      -7.403878      2.626399     -1.495291
  H      -6.922610      1.540296      7.317743
  H      -6.742372      1.871168      5.586325
  H      -6.133447      4.349766      6.474433
  H      -7.147943      3.877617      7.841530
  H      -8.417566      5.052222      6.018846
  H      -9.060414      3.409009      6.321647
  H     -10.248846      4.976304      4.513387
  H     -11.970784      4.577083      2.779112
  H     -10.522484      1.120228      0.123025
  H      -8.450650     -0.330232      0.115439
  H      -6.677200      0.100740      1.826058
  N      -4.874842      2.076857      3.600922
  H      -5.910235      1.991667      3.468697
  H      -4.436418      2.210090      2.674168
101
Coordinates from ORCA-job orca E -6429.995450463950
  N      -2.968640      0.227837      4.985122
  Mo     -3.789391      2.012892      5.175208
  N      -4.985179      2.078616      6.702868
  C      -4.461656      2.176466      8.067898
  C      -3.114040      1.476230      8.149052
  N      -2.283711      1.868336      6.985904
  C      -1.282413      0.836278      6.630700
  C      -1.980065     -0.300666      5.921310
  C      -1.639617      3.194328      7.143306
  C      -1.511465      3.785704      5.745009
  N      -2.834831      3.752178      5.111721
  H      -1.231491     -0.918084      5.395412
  H      -2.482948     -0.974590      6.642671
  H      -0.555318      1.302336      5.952827
  H      -0.738404      0.486203      7.524617
  H      -1.126054      4.816064      5.793048
  H      -0.792187      3.207423      5.144033
  H      -2.297615      3.831238      7.750156
  H      -0.671806      3.103289      7.666071
  H      -5.162649      1.699635      8.774315
  H      -4.375938      3.235482      8.374615
  H      -3.272540      0.391018      8.091347
  H      -2.597264      1.697647      9.098304
  C      -3.638462     -0.865599      4.256053
  C      -2.818497     -1.378935      3.064004
  C      -2.841031     -0.438870      1.876978
  O      -4.206789     -0.443647      1.371138
  C      -4.480338      0.139631      0.175277
  C      -5.301270     -0.555651     -0.697785
  C      -5.659080      0.021267     -1.931145
  N      -5.244642      1.206713     -2.353504
  C      -4.441198      1.910616     -1.506216
  C      -3.977187      3.185900     -1.911937
  C      -3.199185      3.926724     -1.053108
  C      -2.915339      3.403834      0.227305
  N      -3.322249      2.219061      0.655976
  C      -4.048028      1.449609     -0.205135
  C      -3.524918      5.052799      5.211977
  C      -4.738068      5.240955      4.307827
  C      -4.333089      5.456996      2.851135
  O      -5.278494      4.938172      1.898045
  C      -6.460671      5.561661      1.736705
  C      -6.889254      6.686419      2.426226
  C      -8.170243      7.214037      2.155123
  N      -9.022023      6.732954      1.265427
  C      -8.600144      5.648118      0.548290
  C      -9.442629      5.121589     -0.460928
  C      -9.009216      4.050245     -1.208933
  C      -7.740514      3.491037     -0.932634
  N      -6.924044      3.936607      0.010494
  C      -7.334649      5.008170      0.740065
  C      -6.439295      2.208448      6.595462
  C      -6.938034      3.655978      6.799297
  C      -8.185968      3.966043      5.985305
  O      -7.890752      3.587731      4.624042
  C      -8.915504      3.459871      3.752403
  C     -10.078902      4.206778      3.774204
  C     -11.057098      3.974861      2.781346
  N     -10.970536      3.061501      1.827954
  C      -9.840003      2.297565      1.812109
  C      -9.707636      1.273452      0.842783
  C      -8.578975      0.483761      0.842025
  C      -7.576196      0.724170      1.805222
  N      -7.654047      1.674374      2.726259
  C      -8.765697      2.458318      2.741473
  H      -3.820859     -1.695767      4.962004
  H      -4.616277     -0.524282      3.898162
  H      -1.769872     -1.538042      3.360289
  H      -3.213714     -2.360206      2.757384
  H      -2.175702     -0.795097      1.074909
  H      -2.548243      0.582785      2.150442
  H      -5.651699     -1.551971     -0.425787
  H      -6.308471     -0.537527     -2.612420
  H      -4.262458      3.546816     -2.901124
  H      -2.821622      4.910688     -1.332518
  H      -2.325936      3.996345      0.933425
  H      -2.786335      5.839097      4.970976
  H      -3.827078      5.233866      6.261533
  H      -5.308412      6.097073      4.694440
  H      -5.405463      4.371078      4.349742
  H      -3.420117      4.886081      2.638728
  H      -4.135277      6.520252      2.635124
  H      -6.265889      7.174204      3.172730
  H      -8.502795      8.092389      2.718509
  H     -10.414748      5.590085     -0.619974
  H      -9.628352      3.624521     -1.999513
  H      -7.381798      2.639549     -1.518693
  H      -6.913960      1.531069      7.327825
  H      -6.740847      1.868299      5.597296
  H      -6.139390      4.346359      6.493113
  H      -7.152698      3.864070      7.858039
  H      -8.428982      5.039085      6.043050
  H      -9.060174      3.388232      6.328705
  H     -10.243830      4.980746      4.522947
  H     -11.962778      4.588838      2.783821
  H     -10.514430      1.138951      0.120811
  H      -8.444002     -0.313307      0.110608
  H      -6.670808      0.112095      1.822606
  N      -4.885647      2.081588      3.605778
  H      -5.922122      2.001168      3.481554
  H      -4.453300      2.209358      2.675220
101
Coordinates from ORCA-job orca E -6429.995459605178
  N      -2.966312      0.226037      4.986115
  Mo     -3.790250      2.009341      5.177949
  N      -4.986568      2.076322      6.705378
  C      -4.463884      2.175238      8.070634
  C      -3.116583      1.474688      8.152929
  N      -2.285695      1.865988      6.990002
  C      -1.284201      0.833700      6.635798
  C      -1.981476     -0.303142      5.925976
  C      -1.642149      3.192418      7.146082
  C      -1.511956      3.781232      5.746790
  N      -2.834494      3.747727      5.111409
  H      -1.232469     -0.922684      5.403187
  H      -2.487757     -0.975298      6.646670
  H      -0.556411      1.299454      5.958463
  H      -0.740975      0.483750      7.530255
  H      -1.125952      4.811449      5.793420
  H      -0.792205      3.201485      5.147797
  H      -2.301238      3.830250      7.750775
  H      -0.675186      3.102539      7.670690
  H      -5.165454      1.699255      8.777065
  H      -4.378006      3.234466      8.376585
  H      -3.275278      0.389471      8.095609
  H      -2.600197      1.696402      9.102350
  C      -3.631629     -0.867281      4.252504
  C      -2.807415     -1.375540      3.061346
  C      -2.833134     -0.434334      1.875461
  O      -4.198298     -0.446654      1.368209
  C      -4.475272      0.136250      0.173155
  C      -5.296945     -0.560738     -0.697940
  C      -5.660356      0.015942     -1.929685
  N      -5.250485      1.202812     -2.352593
  C      -4.446237      1.908228     -1.507334
  C      -3.986637      3.184832     -1.913907
  C      -3.207966      3.927334     -1.057119
  C      -2.919617      3.404984      0.222542
  N      -3.322208      2.218979      0.651904
  C      -4.047703      1.447578     -0.207770
  C      -3.523823      5.049026      5.211398
  C      -4.739005      5.238739      4.310027
  C      -4.337352      5.454440      2.852310
  O      -5.284328      4.935409      1.900681
  C      -6.463939      5.563118      1.736017
  C      -6.888419      6.692420      2.420755
  C      -8.166996      7.224342      2.146803
  N      -9.020155      6.743461      1.258377
  C      -8.602009      5.654451      0.545369
  C      -9.446104      5.127516     -0.462287
  C      -9.016581      4.051766     -1.206223
  C      -7.749909      3.488981     -0.927770
  N      -6.932358      3.934536      0.014515
  C      -7.339236      5.010054      0.740288
  C      -6.440427      2.209115      6.596920
  C      -6.935723      3.658233      6.798605
  C      -8.184573      3.968564      5.986461
  O      -7.891863      3.582231      4.627160
  C      -8.915989      3.457616      3.754822
  C     -10.079253      4.204776      3.776044
  C     -11.055431      3.975188      2.780610
  N     -10.967032      3.064053      1.825194
  C      -9.836605      2.299843      1.810132
  C      -9.701706      1.278346      0.838394
  C      -8.573221      0.488328      0.838796
  C      -7.573350      0.725588      1.805802
  N      -7.653463      1.673575      2.728827
  C      -8.764648      2.458040      2.742456
  H      -3.813618     -1.699531      4.956103
  H      -4.609494     -0.527769      3.893136
  H      -1.758441     -1.530492      3.358708
  H      -3.197630     -2.358337      2.753202
  H      -2.164949     -0.786022      1.073744
  H      -2.546523      0.588710      2.150315
  H      -5.643861     -1.558164     -0.425427
  H      -6.310538     -0.544218     -2.609118
  H      -4.275719      3.545313     -2.902155
  H      -2.833393      4.912137     -1.337657
  H      -2.330154      3.999040      0.927307
  H      -2.784716      5.834146      4.968171
  H      -3.823319      5.231449      6.261522
  H      -5.307103      6.095459      4.698486
  H      -5.407679      4.369828      4.353437
  H      -3.424815      4.883291      2.638860
  H      -4.139583      6.517522      2.635252
  H      -6.263420      7.180891      3.165303
  H      -8.496061      8.106411      2.706465
  H     -10.416480      5.599006     -0.623153
  H      -9.637280      3.625243     -1.995172
  H      -7.393903      2.634429     -1.511192
  H      -6.916981      1.533721      7.329870
  H      -6.742154      1.868243      5.598836
  H      -6.136335      4.346153      6.488969
  H      -7.147438      3.869704      7.857270
  H      -8.424633      5.042486      6.039842
  H      -9.059711      3.394555      6.333907
  H     -10.245551      4.977450      4.525796
  H     -11.960743      4.589738      2.782391
  H     -10.506265      1.146425      0.113448
  H      -8.436210     -0.306704      0.105526
  H      -6.668223      0.113243      1.824143
  N      -4.884181      2.076441      3.606970
  H      -5.920828      1.999466      3.479956
  H      -4.449171      2.204117      2.677611
101
Coordinates from ORCA-job orca E -6429.995433036186
  N      -2.962574      0.222651      4.986426
  Mo     -3.787112      2.005678      5.175518
  N      -4.983331      2.074575      6.702512
  C      -4.460601      2.174910      8.067778
  C      -3.113240      1.474323      8.150683
  N      -2.282110      1.865349      6.987549
  C      -1.279436      0.833689      6.634451
  C      -1.974315     -0.304391      5.923848
  C      -1.639480      3.192386      7.142596
  C      -1.510411      3.780397      5.742867
  N      -2.833380      3.744938      5.108348
  H      -1.223872     -0.920468      5.398961
  H      -2.477208     -0.979224      6.644473
  H      -0.551070      1.300165      5.958093
  H      -0.737038      0.484242      7.529687
  H      -1.125467      4.811087      5.788812
  H      -0.790218      3.201007      5.143911
  H      -2.298807      3.830188      7.747150
  H      -0.672074      3.103705      7.666798
  H      -5.162201      1.699754      8.774789
  H      -4.374473      3.234510      8.372655
  H      -3.271997      0.389032      8.093572
  H      -2.596986      1.696277      9.100236
  C      -3.630107     -0.871652      4.256135
  C      -2.808450     -1.381156      3.063468
  C      -2.831138     -0.437693      1.879168
  O      -4.195782     -0.446089      1.370404
  C      -4.471469      0.143035      0.178173
  C      -5.291734     -0.550032     -0.697513
  C      -5.652762      0.031988     -1.927597
  N      -5.241762      1.220737     -2.344791
  C      -4.439173      1.922582     -1.494769
  C      -3.978383      3.201001     -1.894903
  C      -3.201340      3.939889     -1.033314
  C      -2.916156      3.412329      0.244943
  N      -3.319952      2.224447      0.668238
  C      -4.043547      1.456348     -0.196161
  C      -3.524628      5.045629      5.207649
  C      -4.741371      5.235502      4.307477
  C      -4.342435      5.446415      2.848091
  O      -5.292709      4.927301      1.899866
  C      -6.467299      5.562686      1.730097
  C      -6.883452      6.700529      2.405927
  C      -8.156130      7.242642      2.123949
  N      -9.010470      6.764075      1.235124
  C      -8.600077      5.666168      0.530973
  C      -9.443961      5.142120     -0.478519
  C      -9.020998      4.058270     -1.214635
  C      -7.762165      3.483177     -0.925067
  N      -6.944968      3.926231      0.018943
  C      -7.344512      5.010613      0.735702
  C      -6.437169      2.206677      6.592552
  C      -6.933275      3.656305      6.792027
  C      -8.184678      3.964012      5.982909
  O      -7.894285      3.580812      4.622295
  C      -8.920763      3.457030      3.752724
  C     -10.083394      4.204942      3.775950
  C     -11.064485      3.970997      2.786015
  N     -10.981309      3.054097      1.835321
  C      -9.850894      2.289583      1.818562
  C      -9.721843      1.260682      0.853711
  C      -8.592580      0.471604      0.852490
  C      -7.586357      0.716793      1.811212
  N      -7.661777      1.670470      2.728828
  C      -8.773847      2.453640      2.744068
  H      -3.811179     -1.703064      4.961091
  H      -4.608538     -0.531895      3.898222
  H      -1.759826     -1.540849      3.359947
  H      -3.203007     -2.361874      2.753834
  H      -2.162925     -0.789245      1.077274
  H      -2.542672      0.584168      2.156435
  H      -5.639014     -1.548876     -0.430036
  H      -6.301774     -0.525329     -2.610801
  H      -4.265205      3.565697     -2.882443
  H      -2.825424      4.925620     -1.309249
  H      -2.327699      4.003158      0.953577
  H      -2.786287      5.831096      4.963164
  H      -3.823386      5.228117      6.258065
  H      -5.306716      6.094695      4.694775
  H      -5.412052      4.367870      4.354772
  H      -3.431696      4.872503      2.633881
  H      -4.142582      6.508526      2.627674
  H      -6.255919      7.188682      3.148753
  H      -8.478748      8.131911      2.676326
  H     -10.408359      5.623156     -0.647941
  H      -9.640624      3.635252     -2.006516
  H      -7.411318      2.621690     -1.501860
  H      -6.914293      1.532394      7.326230
  H      -6.738092      1.863979      5.594150
  H      -6.135469      4.344500      6.478509
  H      -7.142120      3.869811      7.850969
  H      -8.428524      5.037056      6.038247
  H      -9.057130      3.386700      6.332002
  H     -10.246493      4.979906      4.524250
  H     -11.970091      4.585433      2.789385
  H     -10.531820      1.121897      0.135894
  H      -8.459828     -0.328878      0.124131
  H      -6.680332      0.105433      1.827727
  N      -4.879940      2.070825      3.603846
  H      -5.914839      1.978380      3.474723
  H      -4.444295      2.199655      2.675415
101
Coordinates from ORCA-job orca E -6429.995465502695
  N      -2.964069      0.223433      4.988270
  Mo     -3.788572      2.006811      5.177535
  N      -4.984195      2.076725      6.705199
  C      -4.460606      2.178470      8.069990
  C      -3.113164      1.478127      8.152987
  N      -2.282755      1.867182      6.988822
  C      -1.281174      0.834402      6.636014
  C      -1.978289     -0.303786      5.928201
  C      -1.639204      3.194014      7.141959
  C      -1.510711      3.780715      5.741609
  N      -2.834026      3.745691      5.107946
  H      -1.229245     -0.923610      5.405774
  H      -2.483686     -0.975237      6.650181
  H      -0.553742      1.299330      5.957691
  H      -0.737580      0.486041      7.530895
  H      -1.124989      4.811144      5.786355
  H      -0.791360      3.200395      5.142630
  H      -2.297775      3.832686      7.746360
  H      -0.671583      3.105260      7.665602
  H      -5.161728      1.703819      8.777780
  H      -4.374631      3.238346      8.373716
  H      -3.271842      0.392782      8.097896
  H      -2.596342      1.701740      9.101759
  C      -3.629479     -0.871291      4.256675
  C      -2.806228     -1.380778      3.065317
  C      -2.829256     -0.438958      1.879891
  O      -4.194484     -0.447906      1.372536
  C      -4.472439      0.138788      0.179658
  C      -5.297826     -0.554606     -0.690885
  C      -5.663530      0.025449     -1.920379
  N      -5.252483      1.212396     -2.342047
  C      -4.444401      1.914335     -1.497518
  C      -3.983337      3.190874     -1.902763
  C      -3.201087      3.930340     -1.046629
  C      -2.910969      3.405173      0.231558
  N      -3.314809      2.219089      0.659556
  C      -4.043381      1.450252     -0.199844
  C      -3.524508      5.046555      5.206996
  C      -4.741020      5.234458      4.306885
  C      -4.341874      5.449841      2.848611
  O      -5.290775      4.930314      1.899126
  C      -6.469606      5.559543      1.735227
  C      -6.893307      6.687599      2.422553
  C      -8.171215      7.221551      2.149220
  N      -9.024038      6.744195      1.258505
  C      -8.606323      5.656748      0.542750
  C      -9.449425      5.134466     -0.468162
  C      -9.020049      4.060882     -1.215307
  C      -7.754888      3.494817     -0.936202
  N      -6.938335      3.935877      0.009183
  C      -7.344757      5.009865      0.737559
  C      -6.438131      2.208705      6.596758
  C      -6.933586      3.658458      6.794247
  C      -8.183931      3.965704      5.983385
  O      -7.893059      3.575820      4.624818
  C      -8.917210      3.455663      3.752275
  C     -10.079138      4.204809      3.774388
  C     -11.056168      3.977227      2.779164
  N     -10.969850      3.066099      1.823472
  C      -9.840542      2.300102      1.807532
  C      -9.708069      1.277927      0.836122
  C      -8.580425      0.486720      0.835403
  C      -7.579029      0.723294      1.801108
  N      -7.657264      1.671199      2.724397
  C      -8.767708      2.456703      2.739100
  H      -3.810576     -1.702712      4.961534
  H      -4.607775     -0.532587      3.897631
  H      -1.757701     -1.538594      3.362856
  H      -3.199016     -2.362455      2.756674
  H      -2.161791     -0.791889      1.078067
  H      -2.540228      0.583181      2.155253
  H      -5.646088     -1.551959     -0.419615
  H      -6.316744     -0.532077     -2.599169
  H      -4.274367      3.553845     -2.889586
  H      -2.825231      4.914919     -1.326502
  H      -2.318494      3.996497      0.936219
  H      -2.786302      5.832084      4.962372
  H      -3.823296      5.229627      6.257233
  H      -5.309645      6.090804      4.695547
  H      -5.408711      4.364740      4.351853
  H      -3.429552      4.879080      2.633367
  H      -4.145000      6.512995      2.630978
  H      -6.268269      7.173458      3.168840
  H      -8.499728      8.102582      2.710960
  H     -10.418763      5.608132     -0.629271
  H      -9.639581      3.638683     -2.007569
  H      -7.399021      2.641768     -1.522023
  H      -6.914341      1.535451      7.331918
  H      -6.740113      1.864780      5.599526
  H      -6.135077      4.345550      6.480387
  H      -7.143162      3.873684      7.852613
  H      -8.424815      5.039581      6.034428
  H      -9.058180      3.391945      6.333640
  H     -10.244307      4.976909      4.525073
  H     -11.960501      4.593314      2.781604
  H     -10.513909      1.146458      0.112448
  H      -8.445163     -0.308734      0.102196
  H      -6.674549      0.109934      1.818421
  N      -4.883001      2.071139      3.607272
  H      -5.919393      1.991960      3.479851
  H      -4.447611      2.192751      2.677416
101
Coordinates from ORCA-job orca E -6429.995466190849
  N      -2.961994      0.225811      4.987339
  Mo     -3.789226      2.007353      5.178872
  N      -4.983093      2.073322      6.708175
  C      -4.458447      2.172908      8.072643
  C      -3.109418      1.475289      8.152381
  N      -2.281356      1.868680      6.988121
  C      -1.277526      0.839081      6.632762
  C      -1.972609     -0.300056      5.924183
  C      -1.641327      3.196934      7.143022
  C      -1.514661      3.785583      5.743377
  N      -2.837873      3.748205      5.109828
  H      -1.222639     -0.916474      5.399093
  H      -2.474349     -0.974356      6.646027
  H      -0.551800      1.306754      5.954546
  H      -0.732390      0.490622      7.526635
  H      -1.131157      4.816782      5.789093
  H      -0.794192      3.207429      5.143678
  H      -2.301517      3.833152      7.748199
  H      -0.673411      3.110142      7.666399
  H      -5.157684      1.694901      8.780026
  H      -4.374567      3.232209      8.378882
  H      -3.266020      0.389765      8.094859
  H      -2.591862      1.697699      9.101010
  C      -3.628711     -0.869481      4.258017
  C      -2.807476     -1.380199      3.065743
  C      -2.832531     -0.439727      1.879176
  O      -4.197553     -0.451006      1.371610
  C      -4.475147      0.135078      0.178292
  C      -5.299741     -0.558618     -0.692778
  C      -5.663792      0.020872     -1.922982
  N      -5.251880      1.207482     -2.344770
  C      -4.444552      1.909646     -1.499774
  C      -3.982147      3.185625     -1.905243
  C      -3.199640      3.924718     -1.048953
  C      -2.910500      3.399880      0.229440
  N      -3.316185      2.214541      0.657920
  C      -4.045084      1.446044     -0.201509
  C      -3.530459      5.047814      5.208957
  C      -4.745001      5.235332      4.306061
  C      -4.343212      5.450250      2.848230
  O      -5.290642      4.930517      1.897473
  C      -6.467428      5.562425      1.729076
  C      -6.889137      6.693866      2.412018
  C      -8.164857      7.230724      2.134496
  N      -9.017737      6.752498      1.244350
  C      -8.602293      5.661212      0.533273
  C      -9.445989      5.137018     -0.476161
  C      -9.019009      4.059005     -1.218287
  C      -7.755550      3.490904     -0.935917
  N      -6.938505      3.933849      0.008093
  C      -7.342608      5.011833      0.731831
  C      -6.437457      2.201708      6.601650
  C      -6.937831      3.648840      6.805046
  C      -8.190065      3.953714      5.996117
  O      -7.896117      3.574237      4.635158
  C      -8.918752      3.455686      3.760034
  C     -10.080100      4.205746      3.781521
  C     -11.054680      3.982376      2.783052
  N     -10.966564      3.074343      1.824627
  C      -9.838071      2.307282      1.809129
  C      -9.704076      1.288374      0.834526
  C      -8.577394      0.495780      0.834316
  C      -7.578391      0.728042      1.803391
  N      -7.657913      1.673052      2.729535
  C      -8.767580      2.459682      2.744123
  H      -3.808454     -1.700416      4.963793
  H      -4.607609     -0.531020      3.900425
  H      -1.758476     -1.537812      3.361564
  H      -3.201001     -2.362094      2.758881
  H      -2.164603     -0.792496      1.077688
  H      -2.545033      0.583188      2.153452
  H      -5.648481     -1.555735     -0.421393
  H      -6.316488     -0.536649     -2.602207
  H      -4.272049      3.548352     -2.892443
  H      -2.822535      4.908687     -1.329013
  H      -2.317555      3.990940      0.933901
  H      -2.792871      5.834668      4.966819
  H      -3.832139      5.229315      6.258646
  H      -5.313992      6.092098      4.693291
  H      -5.413004      4.365971      4.350179
  H      -3.430447      4.879574      2.634485
  H      -4.146284      6.513360      2.630559
  H      -6.264081      7.180270      3.157938
  H      -8.491932      8.114424      2.692780
  H     -10.413930      5.612537     -0.639945
  H      -9.639097      3.635010     -2.009109
  H      -7.401566      2.634176     -1.517443
  H      -6.911216      1.524194      7.334479
  H      -6.739192      1.860983      5.603468
  H      -6.142419      4.339902      6.492129
  H      -7.146689      3.859778      7.864375
  H      -8.437580      5.025710      6.053971
  H      -9.060803      3.372235      6.342361
  H     -10.246342      4.975485      4.534336
  H     -11.958497      4.599140      2.785004
  H     -10.508073      1.160274      0.108273
  H      -8.441138     -0.297412      0.098896
  H      -6.674470      0.113859      1.820824
  N      -4.885583      2.071629      3.609087
  H      -5.922130      1.992729      3.483354
  H      -4.451971      2.200063      2.679393
101
Coordinates from ORCA-job orca E -6429.995470349028
  N      -2.962551      0.223879      4.988553
  Mo     -3.788976      2.005864      5.178962
  N      -4.982113      2.075127      6.708621
  C      -4.456701      2.176786      8.072654
  C      -3.108308      1.477966      8.153006
  N      -2.280323      1.868541      6.987704
  C      -1.277683      0.837368      6.633358
  C      -1.974218     -0.301970      5.926557
  C      -1.638971      3.196488      7.139921
  C      -1.512779      3.783004      5.739291
  N      -2.836517      3.745859      5.106748
  H      -1.225039     -0.920379      5.402689
  H      -2.477177     -0.974365      6.649329
  H      -0.551881      1.303423      5.954116
  H      -0.732393      0.489671      7.527437
  H      -1.128471      4.813976      5.783405
  H      -0.793139      3.203601      5.139788
  H      -2.298224      3.834186      7.744566
  H      -0.670779      3.109733      7.662813
  H      -5.156075      1.700769      8.781250
  H      -4.371623      3.236575      8.376863
  H      -3.265942      0.392492      8.097443
  H      -2.590161      1.701516      9.101053
  C      -3.629078     -0.871450      4.258922
  C      -2.807361     -1.382664      3.067279
  C      -2.831125     -0.442169      1.880791
  O      -4.195833     -0.453368      1.372158
  C      -4.473597      0.134778      0.179988
  C      -5.298691     -0.557544     -0.691761
  C      -5.663496      0.023785     -1.920831
  N      -5.251799      1.210990     -2.341155
  C      -4.443898      1.911779     -1.495574
  C      -3.981604      3.188287     -1.899464
  C      -3.198804      3.926283     -1.042517
  C      -2.909406      3.399807      0.235166
  N      -3.314882      2.213864      0.662114
  C      -4.043798      1.446339     -0.198159
  C      -3.529022      5.045520      5.206687
  C      -4.745243      5.232539      4.305988
  C      -4.346255      5.449105      2.847730
  O      -5.294775      4.929359      1.897944
  C      -6.472673      5.559847      1.731502
  C      -6.896950      6.688045      2.418255
  C      -8.173806      7.223080      2.142369
  N      -9.025288      6.746385      1.250051
  C      -8.606994      5.658871      0.534858
  C      -9.448628      5.137239     -0.477619
  C      -9.018478      4.063656     -1.224329
  C      -7.753983      3.497145     -0.943385
  N      -6.938930      3.937535      0.003523
  C      -7.346144      5.011309      0.731727
  C      -6.436244      2.205266      6.602001
  C      -6.933940      3.653990      6.800663
  C      -8.186560      3.958295      5.992191
  O      -7.894987      3.572502      4.632567
  C      -8.917833      3.455635      3.757803
  C     -10.079073      4.205864      3.779923
  C     -11.054127      3.982613      2.781859
  N     -10.966736      3.074470      1.823480
  C      -9.838280      2.307302      1.807396
  C      -9.705040      1.288034      0.833068
  C      -8.578246      0.495579      0.832125
  C      -7.578434      0.728241      1.800290
  N      -7.657445      1.673329      2.726398
  C      -8.767215      2.459806      2.741623
  H      -3.809385     -1.702128      4.964854
  H      -4.607715     -0.532908      3.900701
  H      -1.758678     -1.541001      3.363848
  H      -3.201180     -2.364382      2.760189
  H      -2.162719     -0.795120      1.079777
  H      -2.543633      0.580668      2.155210
  H      -5.647264     -1.555091     -0.421732
  H      -6.316579     -0.532789     -2.600475
  H      -4.271982      3.552375     -2.886028
  H      -2.821898      4.910639     -1.321518
  H      -2.316553      3.989950      0.940481
  H      -2.791948      5.832488      4.963386
  H      -3.828947      5.227086      6.256870
  H      -5.314447      6.088420      4.694846
  H      -5.412317      4.362471      4.350779
  H      -3.433300      4.879615      2.631755
  H      -4.150717      6.512608      2.630778
  H      -6.273238      7.173106      3.166125
  H      -8.502952      8.104032      2.703784
  H     -10.417471      5.611357     -0.640161
  H      -9.636781      3.641955     -2.017773
  H      -7.397339      2.644105     -1.528676
  H      -6.911016      1.530888      7.337067
  H      -6.738629      1.861777      5.604948
  H      -6.137808      4.342589      6.484073
  H      -7.140890      3.869212      7.859503
  H      -8.431632      5.031056      6.046053
  H      -9.058226      3.380179      6.341748
  H     -10.245206      4.975350      4.533035
  H     -11.957840      4.599542      2.784304
  H     -10.509624      1.159757      0.107481
  H      -8.442431     -0.297714      0.096736
  H      -6.674403      0.114149      1.817063
  N      -4.885749      2.069003      3.609693
  H      -5.922335      1.990797      3.483569
  H      -4.451624      2.194184      2.679787
101
Coordinates from ORCA-job orca E -6429.995471818049
  N      -2.961591      0.222924      4.989316
  Mo     -3.788620      2.004800      5.178736
  N      -4.980948      2.074784      6.708894
  C      -4.454657      2.177692      8.072545
  C      -3.105852      1.479583      8.152602
  N      -2.278691      1.869625      6.986473
  C      -1.275758      0.838681      6.632229
  C      -1.972046     -0.301594      5.926767
  C      -1.637776      3.197979      7.137307
  C      -1.513271      3.783891      5.736266
  N      -2.837610      3.745510      5.105081
  H      -1.222835     -0.919765      5.402666
  H      -2.473952     -0.973843      6.650409
  H      -0.550766      1.304688      5.952061
  H      -0.729599      0.492017      7.526191
  H      -1.129583      4.815141      5.779579
  H      -0.793807      3.204706      5.136317
  H      -2.296768      3.835682      7.742252
  H      -0.669012      3.112009      7.659292
  H      -5.153320      1.701788      8.781921
  H      -4.369909      3.237748      8.375936
  H      -3.262985      0.393985      8.098029
  H      -2.587266      1.704154      9.100186
  C      -3.628312     -0.873434      4.261324
  C      -2.807150     -1.386042      3.069885
  C      -2.828722     -0.445806      1.883191
  O      -4.193353     -0.454944      1.374174
  C      -4.471154      0.134877      0.182873
  C      -5.297921     -0.555803     -0.688628
  C      -5.663817      0.027030     -1.916682
  N      -5.251729      1.214314     -2.336437
  C      -4.442085      1.913532     -1.491214
  C      -3.979382      3.190113     -1.894472
  C      -3.194946      3.926785     -1.037899
  C      -2.904432      3.398904      0.239028
  N      -3.310227      2.212850      0.665318
  C      -4.040624      1.446480     -0.194714
  C      -3.531413      5.044547      5.205054
  C      -4.747477      5.230902      4.303987
  C      -4.348472      5.447887      2.845940
  O      -5.297100      4.927622      1.896542
  C      -6.474440      5.559010      1.730061
  C      -6.897777      6.687163      2.417477
  C      -8.174100      7.223600      2.141751
  N      -9.025793      6.748409      1.248813
  C      -8.608379      5.660908      0.533016
  C      -9.450186      5.140997     -0.480189
  C      -9.021001      4.067454     -1.227483
  C      -7.757404      3.498983     -0.946197
  N      -6.942169      3.937730      0.001411
  C      -7.348328      5.011710      0.729965
  C      -6.435241      2.203795      6.602876
  C      -6.933734      3.652450      6.800120
  C      -8.187515      3.954667      5.992782
  O      -7.896720      3.567733      4.633448
  C      -8.919208      3.454160      3.758127
  C     -10.079687      4.205503      3.780869
  C     -11.054557      3.984547      2.781992
  N     -10.967748      3.077545      1.822450
  C      -9.839986      2.309261      1.805817
  C      -9.707421      1.290865      0.830468
  C      -8.581269      0.497541      0.828906
  C      -7.581391      0.728427      1.797495
  N      -7.659871      1.672456      2.724731
  C      -8.769097      2.459673      2.740570
  H      -3.808263     -1.703274      4.968374
  H      -4.607133     -0.535330      3.903169
  H      -1.758827     -1.546225      3.366816
  H      -3.202651     -2.367140      2.762861
  H      -2.160636     -0.800135      1.082485
  H      -2.539629      0.576586      2.157417
  H      -5.647182     -1.553275     -0.419097
  H      -6.318276     -0.528392     -2.595992
  H      -4.270831      3.555373     -2.880316
  H      -2.817709      4.911145     -1.316630
  H      -2.310043      3.987680      0.944255
  H      -2.794857      5.832175      4.962336
  H      -3.832014      5.225542      6.255153
  H      -5.317384      6.086390      4.692793
  H      -5.414036      4.360313      4.348520
  H      -3.435171      4.879085      2.629733
  H      -4.153697      6.511559      2.629047
  H      -6.273709      7.171130      3.165817
  H      -8.502465      8.104576      2.703642
  H     -10.418380      5.616460     -0.642864
  H      -9.639382      3.647229     -2.021694
  H      -7.401594      2.645797     -1.531848
  H      -6.909275      1.529978      7.338949
  H      -6.737967      1.858980      5.606223
  H      -6.138595      4.341091      6.481129
  H      -7.139222      3.869290      7.858934
  H      -8.433709      5.027226      6.045893
  H      -9.058282      3.375950      6.343705
  H     -10.245624      4.973877      4.535203
  H     -11.957653      4.602429      2.784890
  H     -10.512018      1.164002      0.104619
  H      -8.445946     -0.295103      0.092685
  H      -6.677872      0.113624      1.813649
  N      -4.886280      2.066530      3.610266
  H      -5.922870      1.988552      3.484266
  H      -4.452065      2.187334      2.679865
101
Coordinates from ORCA-job orca E -6429.995473037600
  N      -2.961322      0.222813      4.989558
  Mo     -3.788576      2.004380      5.179134
  N      -4.979601      2.074960      6.710224
  C      -4.452302      2.178389      8.073421
  C      -3.103258      1.480583      8.152473
  N      -2.277183      1.870451      6.985526
  C      -1.274255      0.839681      6.630750
  C      -1.970836     -0.301154      5.926352
  C      -1.636646      3.199102      7.135260
  C      -1.513378      3.784446      5.733847
  N      -2.838129      3.745334      5.103603
  H      -1.221883     -0.919310      5.401898
  H      -2.472004     -0.973198      6.650686
  H      -0.550083      1.305677      5.949716
  H      -0.727134      0.493560      7.524327
  H      -1.130023      4.815845      5.776496
  H      -0.794146      3.205311      5.133578
  H      -2.295514      3.836850      7.740282
  H      -0.667523      3.113813      7.656681
  H      -5.150231      1.702428      8.783479
  H      -4.367593      3.238533      8.376492
  H      -3.260232      0.394945      8.098288
  H      -2.583906      1.705469      9.099558
  C      -3.629039     -0.873748      4.262737
  C      -2.808841     -1.387958      3.071365
  C      -2.829943     -0.448539      1.884025
  O      -4.194346     -0.457777      1.374330
  C      -4.471714      0.133411      0.183624
  C      -5.298691     -0.555994     -0.688731
  C      -5.663985      0.028130     -1.916318
  N      -5.251123      1.215553     -2.334941
  C      -4.441241      1.913500     -1.488924
  C      -3.977571      3.190118     -1.890958
  C      -3.192694      3.925497     -1.033660
  C      -2.902717      3.396321      0.242804
  N      -3.309565      2.210239      0.668026
  C      -4.040356      1.445086     -0.192749
  C      -3.533044      5.043720      5.204720
  C      -4.748946      5.230082      4.303454
  C      -4.350215      5.448482      2.845529
  O      -5.298688      4.928187      1.895942
  C      -6.476073      5.559493      1.729030
  C      -6.900298      6.687066      2.416873
  C      -8.176620      7.223209      2.140611
  N      -9.027556      6.748230      1.246844
  C      -8.609223      5.661397      0.530597
  C      -9.450081      5.141870     -0.483595
  C      -9.019833      4.069157     -1.231474
  C      -7.756159      3.501108     -0.949774
  N      -6.941831      3.939481     -0.001245
  C      -7.349036      5.012628      0.727926
  C      -6.433951      2.203299      6.604858
  C      -6.933018      3.651857      6.800948
  C      -8.188133      3.952112      5.994960
  O      -7.897996      3.564682      4.635669
  C      -8.920064      3.452918      3.759665
  C     -10.080438      4.204425      3.782904
  C     -11.054685      3.985211      2.783038
  N     -10.967554      3.079606      1.822236
  C      -9.839947      2.311093      1.805095
  C      -9.707216      1.293877      0.828549
  C      -8.581163      0.500394      0.826402
  C      -7.581567      0.729982      1.795554
  N      -7.660321      1.672760      2.724043
  C      -8.769510      2.460017      2.740553
  H      -3.809158     -1.702879      4.970581
  H      -4.607815     -0.535284      3.904810
  H      -1.760580     -1.549078      3.367965
  H      -3.205412     -2.368889      2.765216
  H      -2.161661     -0.803540      1.083783
  H      -2.540849      0.574014      2.157633
  H      -5.648522     -1.553528     -0.420202
  H      -6.318596     -0.526325     -2.596257
  H      -4.268627      3.556460     -2.876504
  H      -2.814752      4.909809     -1.311517
  H      -2.307967      3.984007      0.948632
  H      -2.797068      5.832249      4.963219
  H      -3.834241      5.223347      6.254886
  H      -5.319207      6.085083      4.692830
  H      -5.415137      4.359227      4.347443
  H      -3.436450      4.880733      2.628535
  H      -4.156435      6.512487      2.629455
  H      -6.277013      7.170728      3.166034
  H      -8.505729      8.103658      2.702872
  H     -10.418364      5.617031     -0.646573
  H      -9.637366      3.649332     -2.026543
  H      -7.399438      2.648599     -1.535820
  H      -6.907555      1.529930      7.341625
  H      -6.736930      1.857575      5.608661
  H      -6.138980      4.340537      6.479304
  H      -7.136617      3.870206      7.859801
  H      -8.435584      5.024390      6.047773
  H      -9.057877      3.372507      6.346987
  H     -10.246906      4.971419      4.538514
  H     -11.957652      4.603265      2.786321
  H     -10.511598      1.168048      0.102297
  H      -8.445686     -0.291333      0.089237
  H      -6.678073      0.115098      1.811110
  N      -4.887352      2.065511      3.611275
  H      -5.923942      1.987555      3.485448
  H      -4.453311      2.186579      2.680849
101
Coordinates from ORCA-job orca E -6429.995474856449
  N      -2.961180      0.222936      4.989474
  Mo     -3.788751      2.004155      5.179121
  N      -4.978117      2.074797      6.711420
  C      -4.449522      2.178823      8.074043
  C      -3.100005      1.481746      8.151737
  N      -2.275423      1.871774      6.983793
  C      -1.272345      0.841466      6.628147
  C      -1.969038     -0.300146      5.925031
  C      -1.635457      3.200818      7.132423
  C      -1.514168      3.785883      5.730691
  N      -2.839551      3.745725      5.101913
  H      -1.220286     -0.917845      5.399790
  H      -2.468830     -0.972285      6.650220
  H      -0.549352      1.307670      5.946004
  H      -0.723850      0.496058      7.521151
  H      -1.131473      4.817551      5.772708
  H      -0.795253      3.207107      5.129709
  H      -2.294021      3.838389      7.737950
  H      -0.665728      3.116260      7.652823
  H      -5.146399      1.702584      8.784944
  H      -4.365057      3.239059      8.376839
  H      -3.256477      0.396017      8.097933
  H      -2.579730      1.707071      9.098208
  C      -3.630393     -0.874039      4.264636
  C      -2.811461     -1.390882      3.073586
  C      -2.831380     -0.452784      1.885186
  O      -4.195499     -0.461490      1.374622
  C      -4.471712      0.130802      0.184169
  C      -5.297966     -0.557740     -0.689572
  C      -5.661905      0.027357     -1.917082
  N      -5.248428      1.215036     -2.334376
  C      -4.439302      1.912175     -1.486994
  C      -3.975032      3.189039     -1.887567
  C      -3.190743      3.923593     -1.029013
  C      -2.901923      3.393316      0.247223
  N      -3.309475      2.207016      0.671158
  C      -4.039704      1.442673     -0.190810
  C      -3.536324      5.042988      5.205210
  C      -4.751451      5.229703      4.303006
  C      -4.351866      5.450380      2.845638
  O      -5.299284      4.930097      1.894955
  C      -6.476880      5.560990      1.727646
  C      -6.901780      6.688289      2.415524
  C      -8.178023      7.224250      2.138586
  N      -9.028359      6.749254      1.244269
  C      -8.609430      5.662625      0.528080
  C      -9.449649      5.143082     -0.486632
  C      -9.018799      4.070542     -1.234408
  C      -7.755161      3.502744     -0.952136
  N      -6.941393      3.941178     -0.003176
  C      -7.349196      5.014121      0.725968
  C      -6.432611      2.201896      6.607090
  C      -6.932781      3.650088      6.802614
  C      -8.189244      3.948390      5.998011
  O      -7.899591      3.561214      4.638623
  C      -8.921222      3.451614      3.761881
  C     -10.081528      4.203215      3.786039
  C     -11.055147      3.986257      2.785050
  N     -10.967662      3.082603      1.822480
  C      -9.840193      2.313885      1.804440
  C      -9.707199      1.298491      0.826052
  C      -8.581235      0.504880      0.822898
  C      -7.581960      0.732612      1.792792
  N      -7.661018      1.673613      2.723057
  C      -8.770214      2.460827      2.740691
  H      -3.811031     -1.701923      4.973824
  H      -4.608994     -0.534975      3.906807
  H      -1.763365     -1.553463      3.369942
  H      -3.209676     -2.371538      2.768711
  H      -2.163010     -0.809221      1.085656
  H      -2.541757      0.569881      2.157788
  H      -5.648228     -1.555412     -0.422146
  H      -6.315893     -0.526486     -2.598105
  H      -4.265139      3.556234     -2.873063
  H      -2.812457      4.908067     -1.305775
  H      -2.307596      3.980243      0.954038
  H      -2.801132      5.832995      4.966213
  H      -3.838898      5.220067      6.255415
  H      -5.322509      6.083891      4.693040
  H      -5.417157      4.358404      4.345340
  H      -3.437227      4.884144      2.628387
  H      -4.159300      6.514880      2.630976
  H      -6.279102      7.171886      3.165237
  H      -8.507649      8.104505      2.700831
  H     -10.417932      5.618081     -0.650032
  H      -9.635827      3.650646     -2.029824
  H      -7.398001      2.650273     -1.537936
  H      -6.905348      1.528569      7.344461
  H      -6.735960      1.855396      5.611338
  H      -6.140030      4.339180      6.478699
  H      -7.134678      3.869401      7.861577
  H      -8.438191      5.020314      6.050927
  H      -9.057848      3.367563      6.350879
  H     -10.248562      4.968411      4.543335
  H     -11.958000      4.604467      2.789068
  H     -10.511281      1.174148      0.099226
  H      -8.445547     -0.285475      0.084308
  H      -6.678456      0.117733      1.807344
  N      -4.888890      2.064509      3.611992
  H      -5.925473      1.986790      3.486313
  H      -4.454921      2.185920      2.681576
101
Coordinates from ORCA-job orca E -6429.995475295260
  N      -2.961967      0.223171      4.988918
  Mo     -3.789037      2.004536      5.178602
  N      -4.976877      2.075455      6.711970
  C      -4.447059      2.180160      8.074053
  C      -3.097296      1.483379      8.150685
  N      -2.273969      1.873065      6.981727
  C      -1.271261      0.842680      6.625252
  C      -1.968621     -0.299418      5.923511
  C      -1.633764      3.202133      7.129334
  C      -1.514345      3.786952      5.727292
  N      -2.840486      3.746478      5.100228
  H      -1.220343     -0.917196      5.397719
  H      -2.467534     -0.971252      6.649589
  H      -0.549272      1.308692      5.941901
  H      -0.721485      0.497820      7.517678
  H      -1.131735      4.818683      5.768629
  H      -0.796197      3.208113      5.125472
  H      -2.291511      3.839869      7.735570
  H      -0.663394      3.117618      7.648532
  H      -5.143131      1.704033      8.785813
  H      -4.362502      3.240523      8.376384
  H      -3.253589      0.397593      8.097528
  H      -2.576101      1.709225      9.096520
  C      -3.632966     -0.873993      4.265995
  C      -2.815373     -1.393691      3.075286
  C      -2.833730     -0.456874      1.885846
  O      -4.197708     -0.463871      1.374786
  C      -4.472269      0.129457      0.184409
  C      -5.297953     -0.557825     -0.690853
  C      -5.660025      0.028477     -1.918362
  N      -5.245247      1.216209     -2.334220
  C      -4.436688      1.912140     -1.485304
  C      -3.971120      3.189046     -1.884295
  C      -3.187284      3.922361     -1.024259
  C      -2.900236      3.390818      0.251829
  N      -3.309116      2.204480      0.674358
  C      -4.038964      1.441346     -0.189015
  C      -3.538818      5.042765      5.206140
  C      -4.752848      5.230592      4.302701
  C      -4.351910      5.453989      2.846109
  O      -5.297920      4.933814      1.893962
  C      -6.476237      5.563443      1.726791
  C      -6.902229      6.690444      2.414488
  C      -8.178978      7.225147      2.137402
  N      -9.028878      6.749136      1.243214
  C      -8.608991      5.662631      0.527381
  C      -9.448780      5.141914     -0.487088
  C      -9.017012      4.069379     -1.234355
  C      -7.752924      3.502743     -0.951779
  N      -6.939455      3.942398     -0.003145
  C      -7.348143      5.015383      0.725437
  C      -6.431557      2.201269      6.608615
  C      -6.932772      3.649214      6.803122
  C      -8.190207      3.945766      5.999360
  O      -7.901398      3.557279      4.640251
  C      -8.922919      3.449316      3.763263
  C     -10.083373      4.200674      3.788485
  C     -11.056710      3.985236      2.786857
  N     -10.969012      3.083145      1.822871
  C      -9.841452      2.314542      1.803837
  C      -9.708288      1.300507      0.824073
  C      -8.582196      0.507075      0.819882
  C      -7.582953      0.733686      1.790062
  N      -7.662216      1.673368      2.721638
  C      -8.771589      2.460264      2.740373
  H      -3.814545     -1.700545      4.976514
  H      -4.611220     -0.533961      3.908149
  H      -1.767482     -1.557956      3.371426
  H      -3.215447     -2.373971      2.771648
  H      -2.165755     -0.815205      1.086829
  H      -2.542711      0.565664      2.157467
  H      -5.649219     -1.555455     -0.424586
  H      -6.313524     -0.524424     -2.600614
  H      -4.259860      3.557249     -2.869814
  H      -2.808092      4.906846     -1.299707
  H      -2.306122      3.976693      0.959698
  H      -2.804133      5.834162      4.970222
  H      -3.843012      5.216890      6.256371
  H      -5.324679      6.083913      4.693533
  H      -5.418268      4.358951      4.342698
  H      -3.436337      4.889292      2.628819
  H      -4.160447      6.519032      2.633170
  H      -6.280042      7.174789      3.164128
  H      -8.509405      8.105249      2.699412
  H     -10.417467      5.616013     -0.650695
  H      -9.633687      3.648551     -2.029551
  H      -7.395112      2.650169     -1.537036
  H      -6.903328      1.528212      7.346857
  H      -6.735314      1.853587      5.613410
  H      -6.140966      4.338518      6.477417
  H      -7.133605      3.869579      7.862063
  H      -8.439756      5.017602      6.051296
  H      -9.058174      3.364810      6.353610
  H     -10.250875      4.964460      4.547087
  H     -11.959620      4.603361      2.791737
  H     -10.512315      1.177015      0.097041
  H      -8.446360     -0.282255      0.080220
  H      -6.679358      0.118959      1.803719
  N      -4.890285      2.064537      3.612192
  H      -5.926760      1.986274      3.486238
  H      -4.456003      2.185500      2.681831
101
Coordinates from ORCA-job orca E -6429.995475718109
  N      -2.963179      0.223120      4.988237
  Mo     -3.789483      2.004858      5.177324
  N      -4.975354      2.076609      6.712052
  C      -4.443924      2.182871      8.073383
  C      -3.093978      1.486277      8.149094
  N      -2.272143      1.874852      6.978687
  C      -1.270147      0.843985      6.621604
  C      -1.968502     -0.298721      5.921847
  C      -1.631180      3.203802      7.124461
  C      -1.514438      3.787913      5.721832
  N      -2.841725      3.747241      5.097387
  H      -1.220867     -0.916861      5.395584
  H      -2.466429     -0.969957      6.649168
  H      -0.549164      1.309354      5.936735
  H      -0.718978      0.499902      7.513473
  H      -1.131653      4.819640      5.761865
  H      -0.797624      3.208605      5.118892
  H      -2.287395      3.842099      7.731757
  H      -0.659813      3.119114      7.641751
  H      -5.139085      1.707521      8.786543
  H      -4.358995      3.243562      8.374471
  H      -3.250199      0.400414      8.097295
  H      -2.571613      1.713184      9.094024
  C      -3.636373     -0.874442      4.267957
  C      -2.820248     -1.398152      3.078025
  C      -2.836146     -0.463071      1.887187
  O      -4.199932     -0.467544      1.375441
  C      -4.472103      0.126691      0.184869
  C      -5.295974     -0.559773     -0.692702
  C      -5.655437      0.027642     -1.920487
  N      -5.239732      1.215718     -2.334398
  C      -4.433003      1.910910     -1.483130
  C      -3.966658      3.188215     -1.880002
  C      -3.184724      3.920803     -1.017620
  C      -2.900465      3.388127      0.258634
  N      -3.310142      2.201389      0.679208
  C      -4.038037      1.438942     -0.186440
  C      -3.542078      5.042150      5.207579
  C      -4.755076      5.231518      4.303074
  C      -4.352505      5.459359      2.847603
  O      -5.296278      4.939453      1.893081
  C      -6.476128      5.566531      1.727071
  C      -6.904011      6.692312      2.415582
  C      -8.181737      7.224956      2.138978
  N      -9.030893      6.748079      1.244554
  C      -8.609333      5.662577      0.528162
  C      -9.448435      5.140899     -0.486392
  C      -9.015197      4.069086     -1.233851
  C      -7.750319      3.504148     -0.951417
  N      -6.937322      3.944888     -0.002903
  C      -7.347429      5.017255      0.725832
  C      -6.430273      2.200956      6.610012
  C      -6.932441      3.648784      6.803018
  C      -8.190379      3.943933      5.999504
  O      -7.902494      3.553125      4.640950
  C      -8.924028      3.447165      3.763837
  C     -10.084593      4.198326      3.790551
  C     -11.057992      3.984538      2.788590
  N     -10.970392      3.084175      1.823007
  C      -9.842720      2.315729      1.802484
  C      -9.709506      1.303500      0.820876
  C      -8.583219      0.510349      0.815042
  C      -7.583779      0.735555      1.785345
  N      -7.663072      1.673575      2.718586
  C      -8.772698      2.460029      2.739029
  H      -3.819435     -1.699048      4.980375
  H      -4.614049     -0.533223      3.909667
  H      -1.772732     -1.564698      3.374213
  H      -3.222798     -2.377905      2.775969
  H      -2.168725     -0.824092      1.088912
  H      -2.543046      0.559213      2.157541
  H      -5.647849     -1.557612     -0.428009
  H      -6.307487     -0.524653     -2.604615
  H      -4.253326      3.557269     -2.865808
  H      -2.805075      4.905611     -1.291297
  H      -2.307964      3.973426      0.968328
  H      -2.808223      5.835467      4.975577
  H      -3.847908      5.212056      6.258022
  H      -5.328239      6.083200      4.695570
  H      -5.419706      4.359079      4.339605
  H      -3.435472      4.897088      2.630211
  H      -4.162835      6.525276      2.637422
  H      -6.282518      7.177362      3.165373
  H      -8.513547      8.104214      2.701498
  H     -10.417856      5.613569     -0.649773
  H      -9.631431      3.647343     -2.028909
  H      -7.391545      2.651900     -1.536566
  H      -6.900736      1.528480      7.349609
  H      -6.734676      1.851548      5.615625
  H      -6.141185      4.338127      6.476126
  H      -7.132927      3.870179      7.861805
  H      -8.439667      5.015921      6.049651
  H      -9.058255      3.363802      6.355341
  H     -10.252313      4.960684      4.550527
  H     -11.960936      4.602613      2.794733
  H     -10.513573      1.181183      0.093682
  H      -8.447315     -0.277607      0.073917
  H      -6.679995      0.121139      1.797577
  N      -4.891801      2.063798      3.611639
  H      -5.928170      1.985440      3.485104
  H      -4.456719      2.183682      2.681421
101
Coordinates from ORCA-job orca E -6429.995476918207
  N      -2.965187      0.222990      4.987260
  Mo     -3.790012      2.005567      5.175816
  N      -4.974578      2.078758      6.711375
  C      -4.442014      2.186303      8.072181
  C      -3.092390      1.488988      8.147660
  N      -2.271233      1.875856      6.976181
  C      -1.270479      0.843807      6.618969
  C      -1.970339     -0.298867      5.920678
  C      -1.628685      3.204258      7.120517
  C      -1.513601      3.787620      5.717382
  N      -2.841826      3.747835      5.095066
  H      -1.223532     -0.918074      5.394479
  H      -2.468305     -0.969118      6.648896
  H      -0.549717      1.308064      5.933092
  H      -0.718752      0.499936      7.510581
  H      -1.129744      4.819012      5.756188
  H      -0.798366      3.207192      5.113654
  H      -2.283191      3.843491      7.728668
  H      -0.656583      3.118697      7.636271
  H      -5.136925      1.712242      8.786434
  H      -4.356184      3.247297      8.371955
  H      -3.249249      0.403150      8.097226
  H      -2.569150      1.716688      9.091910
  C      -3.640069     -0.874579      4.268567
  C      -2.824957     -1.401163      3.079167
  C      -2.838606     -0.467098      1.887498
  O      -4.202271     -0.468736      1.375361
  C      -4.472222      0.126225      0.184564
  C      -5.294841     -0.559160     -0.694968
  C      -5.651933      0.029540     -1.922893
  N      -5.234923      1.217752     -2.335071
  C      -4.429338      1.911880     -1.481824
  C      -3.961626      3.189287     -1.876823
  C      -3.180903      3.920739     -1.012388
  C      -2.899436      3.386917      0.264026
  N      -3.310473      2.200051      0.682858
  C      -4.037015      1.438628     -0.184847
  C      -3.542807      5.042150      5.208494
  C      -4.755317      5.233195      4.303628
  C      -4.351882      5.464471      2.848941
  O      -5.294012      4.944571      1.892831
  C      -6.475482      5.568906      1.728209
  C      -6.905442      6.693382      2.417555
  C      -8.184492      7.223361      2.141878
  N      -9.033043      6.745125      1.247602
  C      -8.609611      5.660695      0.530660
  C      -9.448135      5.137514     -0.483611
  C      -9.013190      4.066518     -1.231273
  C      -7.747209      3.503801     -0.949261
  N      -6.934583      3.946146     -0.001198
  C      -7.346318      5.017880      0.727563
  C      -6.429675      2.202272      6.610248
  C      -6.932294      3.650217      6.801723
  C      -8.190153      3.944597      5.997755
  O      -7.903140      3.550730      4.639905
  C      -8.925026      3.445388      3.763183
  C     -10.085805      4.196193      3.790761
  C     -11.059694      3.982391      2.789257
  N     -10.972428      3.082309      1.823378
  C      -9.844482      2.314276      1.801960
  C      -9.711446      1.302371      0.819992
  C      -8.584838      0.509672      0.813252
  C      -7.584894      0.735050      1.783004
  N      -7.663993      1.672800      2.716524
  C      -8.773934      2.458743      2.737870
  H      -3.824414     -1.697889      4.982163
  H      -4.617213     -0.532315      3.909834
  H      -1.777802     -1.569645      3.375540
  H      -3.229560     -2.380345      2.778005
  H      -2.171858     -0.830287      1.089635
  H      -2.543273      0.554727      2.157213
  H      -5.647641     -1.557062     -0.431731
  H      -6.303089     -0.521842     -2.608614
  H      -4.246329      3.559274     -2.862851
  H      -2.800185      4.905582     -1.284461
  H      -2.308014      3.971371      0.975305
  H      -2.809213      5.836446      4.979020
  H      -3.849436      5.209183      6.259168
  H      -5.329250      6.083665      4.697644
  H      -5.419490      4.360250      4.337599
  H      -3.433766      4.904068      2.631342
  H      -4.163719      6.531060      2.640790
  H      -6.284520      7.179493      3.167147
  H      -8.517877      8.101670      2.704962
  H     -10.418545      5.608306     -0.646556
  H      -9.628990      3.643615     -2.026051
  H      -7.387226      2.652023     -1.534390
  H      -6.899139      1.530509      7.351113
  H      -6.734603      1.851336      5.616525
  H      -6.140996      4.339370      6.474636
  H      -7.133297      3.872380      7.860256
  H      -8.438487      5.016909      6.045712
  H      -9.058437      3.365981      6.355054
  H     -10.253450      4.958320      4.550976
  H     -11.962835      4.600177      2.796179
  H     -10.515878      1.179947      0.093206
  H      -8.449045     -0.278021      0.071816
  H      -6.680885      0.120994      1.794559
  N      -4.892789      2.064031      3.610610
  H      -5.929057      1.985262      3.483527
  H      -4.456912      2.182376      2.680478
