100
Coordinates from ORCA-job orca E -6429.267395149379
  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      -5.181384      2.956433      2.198735
100
Coordinates from ORCA-job orca E -6429.307756598213
  N      -2.813721      0.523016      4.682676
  Mo     -3.512900      2.340204      4.846764
  N      -4.855942      1.972180      6.189265
  C      -4.410388      1.768821      7.567610
  C      -2.984769      1.214184      7.593250
  N      -2.140593      1.973235      6.645819
  C      -1.006326      1.165722      6.162860
  C      -1.529153      0.090572      5.191419
  C      -1.649457      3.231411      7.240468
  C      -1.696022      4.278812      6.126964
  N      -2.998358      4.149226      5.499422
  H      -0.795427     -0.050172      4.382387
  H      -1.635045     -0.877200      5.709337
  H      -0.320149      1.837394      5.634471
  H      -0.468013      0.702763      7.002447
  H      -1.530382      5.282467      6.538243
  H      -0.899556      4.081833      5.391364
  H      -2.331482      3.542497      8.039225
  H      -0.641772      3.111000      7.659782
  H      -5.073880      1.059657      8.085719
  H      -4.456793      2.720151      8.125229
  H      -3.016406      0.167932      7.271917
  H      -2.563331      1.253598      8.608000
  C      -3.752938     -0.553210      4.441659
  C      -3.344541     -1.474266      3.273415
  C      -3.289182     -0.730395      1.947887
  O      -4.643525     -0.411905      1.574676
  C      -4.811854     -0.021852      0.266091
  C      -5.568447     -0.809628     -0.582242
  C      -5.759160     -0.392697     -1.909108
  N      -5.252596      0.714900     -2.418896
  C      -4.514445      1.507764     -1.604059
  C      -3.975182      2.713860     -2.105195
  C      -3.248058      3.522365     -1.257335
  C      -3.068715      3.125079      0.076403
  N      -3.544187      2.001228      0.583230
  C      -4.260493      1.190798     -0.231940
  C      -3.924660      5.228477      5.823720
  C      -4.999515      5.452165      4.756791
  C      -4.387626      5.926149      3.434561
  O      -5.094759      5.411023      2.310681
  C      -6.333560      5.852982      1.993935
  C      -6.935725      7.023788      2.419142
  C      -8.189821      7.364235      1.885538
  N      -8.835457      6.661557      0.972885
  C      -8.270657      5.501158      0.558441
  C      -8.910057      4.718415     -0.432344
  C      -8.339956      3.518641     -0.798127
  C      -7.174973      3.092043     -0.140291
  N      -6.524196      3.802458      0.763249
  C      -7.039865      5.016395      1.085072
  C      -6.295371      1.879242      6.054947
  C      -7.075831      3.029166      6.747813
  C      -8.296020      3.454531      5.940626
  O      -7.871020      4.009740      4.686094
  C      -8.813088      3.875319      3.688100
  C      -9.806988      4.822586      3.515684
  C     -10.744466      4.641101      2.491848
  N     -10.753760      3.601469      1.674091
  C      -9.797135      2.656037      1.837557
  C      -9.786380      1.524347      0.996004
  C      -8.812884      0.558932      1.183671
  C      -7.840582      0.756911      2.169186
  N      -7.800995      1.812884      2.975069
  C      -8.773225      2.749643      2.830283
  H      -3.853820     -1.178009      5.350281
  H      -4.734221     -0.118212      4.210092
  H      -2.358276     -1.908474      3.470483
  H      -4.074934     -2.286642      3.187185
  H      -2.843919     -1.367142      1.168999
  H      -2.698741      0.193309      2.035828
  H      -6.004064     -1.733969     -0.217049
  H      -6.349775     -0.999294     -2.593928
  H      -4.156608      2.975002     -3.142880
  H      -2.821801      4.457824     -1.605695
  H      -2.501143      3.740578      0.772120
  H      -3.368455      6.172247      5.943234
  H      -4.427529      5.013107      6.785338
  H      -5.738296      6.178368      5.112050
  H      -5.516555      4.501504      4.577026
  H      -3.384222      5.499026      3.315255
  H      -4.314491      7.021660      3.386823
  H      -6.462240      7.688412      3.132658
  H      -8.682494      8.280577      2.207813
  H      -9.835753      5.078986     -0.867245
  H      -8.791268      2.883064     -1.553288
  H      -6.757160      2.111465     -0.352487
  H      -6.647843      0.921887      6.479327
  H      -6.546659      1.889775      4.981132
  H      -6.417707      3.899072      6.850522
  H      -7.417765      2.727192      7.743214
  H      -8.875377      4.217950      6.482408
  H      -8.948565      2.587806      5.755324
  H      -9.848554      5.693641      4.161440
  H     -11.526914      5.377984      2.323302
  H     -10.548684      1.435881      0.228832
  H      -8.784207     -0.331126      0.563199
  H      -7.034430      0.036924      2.313840
  N      -4.550104      2.686410      3.141354
  H      -5.074500      2.866618      2.273537
100
Coordinates from ORCA-job orca E -6429.339819670376
  N      -2.826059      0.509890      4.680536
  Mo     -3.526932      2.336683      4.857582
  N      -4.877879      1.980794      6.193022
  C      -4.422900      1.772385      7.574494
  C      -3.003274      1.203281      7.603461
  N      -2.146029      1.959098      6.655346
  C      -1.010662      1.144798      6.166141
  C      -1.536294      0.077634      5.192369
  C      -1.640701      3.218760      7.252177
  C      -1.677814      4.259161      6.136463
  N      -2.988820      4.145262      5.505785
  H      -0.800648     -0.059301      4.382732
  H      -1.644595     -0.895145      5.703944
  H      -0.321896      1.820735      5.640527
  H      -0.470780      0.677981      7.004899
  H      -1.501577      5.265259      6.542101
  H      -0.880950      4.050872      5.402413
  H      -2.319734      3.535707      8.054222
  H      -0.631914      3.087118      7.672462
  H      -5.094585      1.068360      8.091284
  H      -4.461435      2.725899      8.132617
  H      -3.042513      0.155686      7.280635
  H      -2.580813      1.238104      8.620218
  C      -3.761870     -0.579050      4.423880
  C      -3.336300     -1.485062      3.248673
  C      -3.283049     -0.736740      1.926593
  O      -4.647588     -0.437134      1.551682
  C      -4.838979     -0.035338      0.257149
  C      -5.591173     -0.826344     -0.591359
  C      -5.814715     -0.394262     -1.917113
  N      -5.341874      0.735904     -2.424645
  C      -4.606342      1.534507     -1.601106
  C      -4.103274      2.765860     -2.089492
  C      -3.384943      3.581164     -1.240387
  C      -3.172427      3.166600      0.092556
  N      -3.610602      2.020083      0.587531
  C      -4.321858      1.201657     -0.232839
  C      -3.912285      5.239940      5.820568
  C      -4.982678      5.482716      4.752872
  C      -4.357923      5.946441      3.433249
  O      -5.073959      5.445230      2.302334
  C      -6.292204      5.913440      1.987248
  C      -6.866750      7.100527      2.413168
  C      -8.119402      7.471274      1.877775
  N      -8.788735      6.781524      0.962595
  C      -8.244587      5.599919      0.551425
  C      -8.906383      4.821107     -0.431433
  C      -8.369810      3.602145     -0.789335
  C      -7.203051      3.148445     -0.135737
  N      -6.528341      3.853596      0.761724
  C      -7.019350      5.085906      1.077987
  C      -6.325259      1.899299      6.046021
  C      -7.110378      3.052675      6.732764
  C      -8.326936      3.464033      5.918471
  O      -7.885692      3.999256      4.657594
  C      -8.802625      3.838513      3.650128
  C      -9.787623      4.774491      3.404425
  C     -10.696533      4.545619      2.349078
  N     -10.678762      3.470508      1.571131
  C      -9.720576      2.533046      1.813392
  C      -9.666797      1.364092      1.018683
  C      -8.701263      0.413938      1.287741
  C      -7.764834      0.658222      2.314185
  N      -7.761011      1.748153      3.072409
  C      -8.732251      2.672435      2.842385
  H      -3.858084     -1.205112      5.332518
  H      -4.748494     -0.154721      4.192616
  H      -2.341954     -1.909892      3.449693
  H      -4.057420     -2.309989      3.154932
  H      -2.825558     -1.363189      1.143581
  H      -2.706124      0.195839      2.021107
  H      -6.002057     -1.769487     -0.230736
  H      -6.405987     -1.012294     -2.599408
  H      -4.308749      3.039913     -3.124662
  H      -2.988070      4.537489     -1.582117
  H      -2.608326      3.793966      0.788685
  H      -3.339804      6.175657      5.941035
  H      -4.417296      5.029506      6.783245
  H      -5.710177      6.222408      5.112901
  H      -5.520841      4.541952      4.565436
  H      -3.362158      5.500440      3.314307
  H      -4.262141      7.043738      3.388185
  H      -6.373039      7.756591      3.128940
  H      -8.587285      8.405064      2.204818
  H      -9.831466      5.200789     -0.864166
  H      -8.850703      2.966318     -1.533983
  H      -6.811753      2.150542     -0.344773
  H      -6.677866      0.941244      6.469813
  H      -6.569772      1.907242      4.966512
  H      -6.450091      3.925865      6.836476
  H      -7.460835      2.756783      7.731624
  H      -8.916821      4.231341      6.447593
  H      -8.973801      2.589007      5.738059
  H      -9.849017      5.678832      4.009494
  H     -11.473080      5.281422      2.124530
  H     -10.394620      1.243202      0.216160
  H      -8.641974     -0.504785      0.703333
  H      -6.963872     -0.057124      2.521498
  N      -4.509866      2.665721      3.277189
  H      -5.039935      2.864501      2.409660
100
Coordinates from ORCA-job orca E -6429.356051572728
  N      -2.819217      0.500207      4.678991
  Mo     -3.518124      2.339260      4.847866
  N      -4.872118      2.005773      6.182935
  C      -4.404388      1.803227      7.564793
  C      -2.989127      1.223537      7.599013
  N      -2.122728      1.966869      6.645074
  C      -0.991403      1.139470      6.158155
  C      -1.527064      0.069257      5.196189
  C      -1.604690      3.234521      7.227587
  C      -1.637057      4.259604      6.098216
  N      -2.954834      4.150683      5.470591
  H      -0.793333     -0.078219      4.385935
  H      -1.640440     -0.900382      5.713947
  H      -0.300091      1.810218      5.627206
  H      -0.450180      0.677989      6.999879
  H      -1.453126      5.271671      6.487477
  H      -0.842429      4.036978      5.365678
  H      -2.279617      3.563427      8.029465
  H      -0.595632      3.097976      7.648423
  H      -5.081773      1.108044      8.086947
  H      -4.435990      2.762221      8.114612
  H      -3.033597      0.173285      7.283030
  H      -2.565492      1.262923      8.615820
  C      -3.761755     -0.590629      4.423683
  C      -3.339867     -1.502152      3.256370
  C      -3.281080     -0.754758      1.938290
  O      -4.643433     -0.438608      1.552110
  C      -4.796551     -0.018939      0.264534
  C      -5.541533     -0.775243     -0.619529
  C      -5.721275     -0.310450     -1.944949
  N      -5.213477      0.820714     -2.420099
  C      -4.483286      1.585334     -1.554806
  C      -3.945018      2.820091     -1.998266
  C      -3.239214      3.603626     -1.111234
  C      -3.069897      3.153585      0.221294
  N      -3.538140      2.002809      0.675084
  C      -4.240906      1.217482     -0.186740
  C      -3.881575      5.248466      5.767893
  C      -4.952002      5.452692      4.696872
  C      -4.343945      5.892423      3.364002
  O      -5.057711      5.348575      2.243109
  C      -6.292005      5.773714      1.944958
  C      -6.899947      6.933708      2.400770
  C      -8.175227      7.273334      1.892234
  N      -8.839118      6.585824      0.970590
  C      -8.259401      5.428638      0.528556
  C      -8.915646      4.650883     -0.458467
  C      -8.357175      3.453717     -0.846918
  C      -7.165764      3.017147     -0.222252
  N      -6.490924      3.722522      0.678298
  C      -7.010441      4.936779      1.026916
  C      -6.322336      1.934706      6.035345
  C      -7.098971      3.084414      6.729771
  C      -8.333023      3.496430      5.944504
  O      -7.944899      4.057597      4.671013
  C      -8.907041      3.907556      3.707387
  C      -9.917707      4.830899      3.545913
  C     -10.887607      4.617136      2.536222
  N     -10.898193      3.572728      1.718586
  C      -9.902108      2.650995      1.868127
  C      -9.859556      1.524057      1.010963
  C      -8.854462      0.594099      1.170726
  C      -7.863113      0.813248      2.159264
  N      -7.850531      1.861116      2.973145
  C      -8.859150      2.769027      2.846459
  H      -3.860755     -1.204743      5.339693
  H      -4.746542     -0.163370      4.191164
  H      -2.346305     -1.932455      3.458597
  H      -4.063942     -2.326957      3.166785
  H      -2.824780     -1.379493      1.152689
  H      -2.700038      0.174831      2.038796
  H      -5.981677     -1.718246     -0.289774
  H      -6.307912     -0.906857     -2.652261
  H      -4.117976      3.122310     -3.033285
  H      -2.818314      4.562892     -1.418898
  H      -2.515790      3.761323      0.944753
  H      -3.310129      6.186992      5.875853
  H      -4.384646      5.051718      6.734435
  H      -5.689455      6.189009      5.046162
  H      -5.478125      4.502942      4.532289
  H      -3.339484      5.465519      3.245708
  H      -4.270970      6.991291      3.294175
  H      -6.416287      7.591626      3.124011
  H      -8.663714      8.186809      2.249824
  H      -9.860262      5.013768     -0.867135
  H      -8.840010      2.815250     -1.590669
  H      -6.761411      2.031264     -0.458770
  H      -6.669209      0.976054      6.462635
  H      -6.571201      1.940138      4.959126
  H      -6.436996      3.958344      6.833643
  H      -7.436085      2.782898      7.733437
  H      -8.911121      4.253921      6.501059
  H      -8.982571      2.620523      5.772914
  H      -9.958596      5.718902      4.179455
  H     -11.687089      5.349619      2.387061
  H     -10.626508      1.427977      0.239483
  H      -8.799423     -0.289068      0.531087
  H      -7.026376      0.112240      2.273179
  N      -4.444483      2.637672      3.387035
  H      -4.973187      2.847664      2.521679
100
Coordinates from ORCA-job orca E -6429.361831413491
  N      -2.878953      0.474551      4.665866
  Mo     -3.571625      2.321319      4.853081
  N      -4.922478      2.024124      6.199941
  C      -4.440730      1.825055      7.576253
  C      -3.035881      1.218177      7.607888
  N      -2.154659      1.938980      6.651439
  C      -1.041497      1.091705      6.158994
  C      -1.594040      0.031848      5.193734
  C      -1.617454      3.204592      7.219595
  C      -1.634208      4.210432      6.073394
  N      -2.953831      4.129764      5.442937
  H      -0.859185     -0.123856      4.385940
  H      -1.721847     -0.939418      5.704717
  H      -0.342598      1.754701      5.629383
  H      -0.501667      0.624828      6.998633
  H      -1.429166      5.226462      6.441500
  H      -0.843631      3.961468      5.345857
  H      -2.285563      3.551226      8.019277
  H      -0.611469      3.053448      7.642367
  H      -5.129079      1.147432      8.107065
  H      -4.453079      2.789070      8.116692
  H      -3.096139      0.167646      7.296751
  H      -2.610500      1.255324      8.623766
  C      -3.817157     -0.610087      4.371862
  C      -3.382505     -1.503983      3.197719
  C      -3.315378     -0.745894      1.886948
  O      -4.677111     -0.432230      1.488109
  C      -4.818667      0.016463      0.207642
  C      -5.554587     -0.719288     -0.700836
  C      -5.728095     -0.222944     -2.013475
  N      -5.226867      0.920242     -2.458388
  C      -4.510046      1.666919     -1.568749
  C      -3.986578      2.919019     -1.975664
  C      -3.302089      3.690294     -1.063904
  C      -3.136138      3.207553      0.255858
  N      -3.587351      2.039109      0.675171
  C      -4.273698      1.269011     -0.211215
  C      -3.845878      5.261968      5.722289
  C      -4.907012      5.507707      4.653302
  C      -4.281087      5.931938      3.326259
  O      -5.011199      5.409896      2.205308
  C      -6.235843      5.871945      1.906391
  C      -6.812491      7.051875      2.348902
  C      -8.081482      7.414228      1.844484
  N      -8.769659      6.732946      0.940346
  C      -8.223157      5.553810      0.518787
  C      -8.915556      4.761896     -0.429550
  C      -8.400545      3.533934     -0.777862
  C      -7.207499      3.090682     -0.163499
  N      -6.502261      3.807020      0.699003
  C      -6.985256      5.040656      1.013666
  C      -6.370916      1.977361      6.059083
  C      -7.118958      3.147364      6.744384
  C      -8.356372      3.539080      5.959614
  O      -7.957905      4.048085      4.665867
  C      -8.891773      3.820577      3.689687
  C      -9.894353      4.723476      3.411782
  C     -10.824573      4.419893      2.389827
  N     -10.803093      3.314883      1.661184
  C      -9.808455      2.417723      1.919550
  C      -9.714020      1.238104      1.142270
  C      -8.709647      0.333992      1.409408
  C      -7.769741      0.630460      2.425231
  N      -7.801115      1.732565      3.161190
  C      -8.809477      2.617210      2.925210
  H      -3.926398     -1.232463      5.280673
  H      -4.799840     -0.179350      4.139317
  H      -2.390901     -1.935565      3.402866
  H      -4.099651     -2.332938      3.095999
  H      -2.851503     -1.360430      1.098739
  H      -2.742845      0.186859      1.999068
  H      -5.990714     -1.672482     -0.400149
  H      -6.305255     -0.807683     -2.736118
  H      -4.157115      3.244774     -3.002839
  H      -2.895886      4.663671     -1.341308
  H      -2.601133      3.809555      0.996644
  H      -3.236934      6.176251      5.832079
  H      -4.354885      5.089816      6.689955
  H      -5.614886      6.268321      5.009213
  H      -5.476226      4.582537      4.482568
  H      -3.291140      5.473124      3.208504
  H      -4.171083      7.026498      3.254974
  H      -6.308654      7.707634      3.057586
  H      -8.540852      8.344849      2.192770
  H      -9.859685      5.132971     -0.829267
  H      -8.924519      2.874255     -1.471520
  H      -6.832073      2.086647     -0.369366
  H      -6.726518      1.026808      6.497088
  H      -6.623830      1.974106      4.985408
  H      -6.449166      4.017040      6.825109
  H      -7.446688      2.872404      7.758130
  H      -8.935216      4.313884      6.489675
  H      -9.004892      2.658045      5.816071
  H      -9.953213      5.667475      3.954415
  H     -11.614699      5.137046      2.151320
  H     -10.431152      1.091769      0.332954
  H      -8.611152     -0.585524      0.831220
  H      -6.934095     -0.051020      2.618173
  N      -4.499434      2.613697      3.441751
  H      -5.031728      2.829219      2.583533
100
Coordinates from ORCA-job orca E -6429.366568167601
  N      -2.922445      0.442515      4.672874
  Mo     -3.602536      2.294967      4.862380
  N      -4.939659      2.050556      6.233307
  C      -4.440537      1.871364      7.604830
  C      -3.048238      1.236338      7.630500
  N      -2.159204      1.921391      6.655776
  C      -1.070067      1.044808      6.163405
  C      -1.647434     -0.015328      5.212584
  C      -1.599865      3.193117      7.187352
  C      -1.603248      4.165229      6.011308
  N      -2.926547      4.103547      5.384675
  H      -0.914621     -0.194937      4.407576
  H      -1.793457     -0.980027      5.731629
  H      -0.362989      1.688926      5.621397
  H      -0.529353      0.580291      7.004190
  H      -1.372473      5.188197      6.344008
  H      -0.820320      3.877169      5.289958
  H      -2.257774      3.570661      7.981525
  H      -0.595105      3.033966      7.610622
  H      -5.135397      1.218631      8.158423
  H      -4.428569      2.846648      8.124779
  H      -3.129351      0.181895      7.337306
  H      -2.614076      1.281983      8.642652
  C      -3.864112     -0.627021      4.342402
  C      -3.425246     -1.503730      3.158395
  C      -3.327432     -0.720858      1.864132
  O      -4.678312     -0.364364      1.460929
  C      -4.797046      0.155510      0.203555
  C      -5.560218     -0.504916     -0.740115
  C      -5.719085      0.064828     -2.023433
  N      -5.181414      1.211697     -2.409833
  C      -4.439134      1.886868     -1.485394
  C      -3.882955      3.144310     -1.827449
  C      -3.179410      3.849775     -0.877905
  C      -3.024493      3.293578      0.412868
  N      -3.503242      2.115361      0.771051
  C      -4.212396      1.411290     -0.151930
  C      -3.783392      5.271253      5.623124
  C      -4.851746      5.495214      4.557848
  C      -4.233760      5.837767      3.204354
  O      -4.983899      5.270291      2.118711
  C      -6.211281      5.731875      1.823705
  C      -6.775863      6.921217      2.255567
  C      -8.047754      7.284789      1.760921
  N      -8.748690      6.597781      0.872182
  C      -8.215012      5.409237      0.461589
  C      -8.923613      4.608848     -0.467493
  C      -8.424268      3.369717     -0.800473
  C      -7.227843      2.926245     -0.193592
  N      -6.508651      3.650488      0.650142
  C      -6.977023      4.892537      0.951882
  C      -6.388322      2.026778      6.103837
  C      -7.109755      3.223493      6.766035
  C      -8.363405      3.589790      5.994159
  O      -7.988884      4.058500      4.675756
  C      -8.939890      3.803092      3.721451
  C      -9.948341      4.698261      3.439115
  C     -10.902460      4.365754      2.449515
  N     -10.895856      3.243311      1.748573
  C      -9.885369      2.361768      1.996532
  C      -9.790267      1.177112      1.226642
  C      -8.759585      0.296145      1.470151
  C      -7.802100      0.616889      2.459846
  N      -7.837602      1.721509      3.191731
  C      -8.865891      2.587106      2.975639
  H      -3.995360     -1.260591      5.240811
  H      -4.838797     -0.180072      4.106083
  H      -2.443545     -1.956371      3.366313
  H      -4.151838     -2.321563      3.034107
  H      -2.868460     -1.326420      1.066182
  H      -2.739301      0.198453      2.002706
  H      -6.028441     -1.457450     -0.489276
  H      -6.316890     -0.463351     -2.772737
  H      -4.047035      3.527828     -2.835656
  H      -2.750537      4.826896     -1.103397
  H      -2.477265      3.845930      1.183062
  H      -3.145465      6.169903      5.689450
  H      -4.285395      5.156939      6.603261
  H      -5.535611      6.287715      4.890917
  H      -5.451412      4.580795      4.437813
  H      -3.252676      5.356056      3.102064
  H      -4.104575      6.924527      3.071382
  H      -6.260028      7.583722      2.949537
  H      -8.496043      8.223400      2.103064
  H      -9.869336      4.981725     -0.862198
  H      -8.965463      2.701948     -1.472240
  H      -6.860717      1.915880     -0.390341
  H      -6.753260      1.090372      6.565083
  H      -6.649479      2.002439      5.033994
  H      -6.434160      4.091559      6.807914
  H      -7.416118      2.986052      7.796132
  H      -8.932885      4.380618      6.510290
  H      -9.015663      2.705942      5.891402
  H      -9.993059      5.658974      3.953026
  H     -11.700969      5.075589      2.215301
  H     -10.519983      1.015777      0.431626
  H      -8.653646     -0.622347      0.891445
  H      -6.946842     -0.045378      2.629249
  N      -4.573424      2.579169      3.445986
  H      -5.116868      2.790468      2.593359
100
Coordinates from ORCA-job orca E -6429.369686279664
  N      -2.923449      0.454848      4.685754
  Mo     -3.626213      2.297800      4.911998
  N      -4.959302      2.058930      6.286791
  C      -4.454296      1.874816      7.654114
  C      -3.067440      1.229740      7.673658
  N      -2.168221      1.913590      6.707924
  C      -1.084667      1.037190      6.208639
  C      -1.659222     -0.008985      5.245298
  C      -1.611715      3.187539      7.234530
  C      -1.600924      4.148883      6.050267
  N      -2.919585      4.102037      5.412324
  H      -0.916305     -0.189291      4.449262
  H      -1.817366     -0.978210      5.753172
  H      -0.372914      1.684764      5.677137
  H      -0.545478      0.564368      7.046166
  H      -1.362678      5.174082      6.371677
  H      -0.814269      3.848832      5.337979
  H      -2.274218      3.568628      8.022947
  H      -0.611302      3.025940      7.667390
  H      -5.152285      1.225499      8.208717
  H      -4.435710      2.848973      8.176002
  H      -3.151010      0.177729      7.371672
  H      -2.637694      1.265159      8.688584
  C      -3.839230     -0.621872      4.305762
  C      -3.356634     -1.486503      3.131714
  C      -3.260242     -0.722980      1.826995
  O      -4.619233     -0.438335      1.387106
  C      -4.736549      0.059999      0.120566
  C      -5.441583     -0.655314     -0.829228
  C      -5.597311     -0.119015     -2.126553
  N      -5.115073      1.048738     -2.521293
  C      -4.437852      1.780717     -1.590293
  C      -3.952020      3.064877     -1.940019
  C      -3.320776      3.828826     -0.985218
  C      -3.163844      3.302089      0.317061
  N      -3.573483      2.101148      0.682500
  C      -4.217103      1.341520     -0.244350
  C      -3.755554      5.287167      5.642446
  C      -4.832108      5.519315      4.591055
  C      -4.225389      5.833595      3.226579
  O      -4.987551      5.256457      2.153703
  C      -6.212600      5.731929      1.865057
  C      -6.759161      6.927998      2.300538
  C      -8.026165      7.311987      1.808611
  N      -8.739805      6.638067      0.920815
  C      -8.224424      5.442394      0.506961
  C      -8.940659      4.657535     -0.429779
  C      -8.452788      3.417035     -0.776705
  C      -7.263306      2.953676     -0.171393
  N      -6.540542      3.662769      0.680832
  C      -6.993295      4.906738      0.992746
  C      -6.405163      2.049557      6.147454
  C      -7.114185      3.259153      6.789962
  C      -8.367834      3.614931      6.012060
  O      -7.992113      4.075519      4.686774
  C      -8.941973      3.818963      3.729672
  C      -9.956885      4.711645      3.462995
  C     -10.920872      4.384193      2.481666
  N     -10.921678      3.267369      1.773151
  C      -9.897852      2.394106      1.993137
  C      -9.806455      1.219950      1.206246
  C      -8.753427      0.354660      1.405769
  C      -7.779056      0.674536      2.377752
  N      -7.820093      1.761266      3.135459
  C      -8.864824      2.616089      2.959422
  H      -3.979594     -1.263199      5.197380
  H      -4.817745     -0.190431      4.057070
  H      -2.367472     -1.912252      3.360437
  H      -4.052763     -2.330192      3.005138
  H      -2.764329     -1.326793      1.050453
  H      -2.713736      0.223132      1.953919
  H      -5.861311     -1.629065     -0.574400
  H      -6.145130     -0.695541     -2.878501
  H      -4.113629      3.420469     -2.958662
  H      -2.949436      4.828052     -1.215209
  H      -2.672797      3.902443      1.088978
  H      -3.097269      6.171755      5.696791
  H      -4.248786      5.194557      6.629743
  H      -5.496296      6.325590      4.931218
  H      -5.455184      4.618714      4.490092
  H      -3.249818      5.339921      3.126168
  H      -4.084424      6.915760      3.069853
  H      -6.231489      7.582463      2.993126
  H      -8.457491      8.256662      2.155932
  H      -9.878857      5.046984     -0.826631
  H      -8.995577      2.766793     -1.463087
  H      -6.897807      1.945650     -0.385434
  H      -6.782698      1.117837      6.609515
  H      -6.655443      2.020257      5.078810
  H      -6.435243      4.125191      6.820489
  H      -7.417244      3.042877      7.826112
  H      -8.937855      4.411480      6.518050
  H      -9.022471      2.732181      5.917714
  H     -10.002146      5.666465      3.987400
  H     -11.728424      5.091834      2.272102
  H     -10.555682      1.057329      0.430105
  H      -8.644031     -0.550929      0.807946
  H      -6.908690      0.023164      2.509695
  N      -4.617023      2.588152      3.505676
  H      -5.157992      2.813468      2.655765
100
Coordinates from ORCA-job orca E -6429.372663694478
  N      -2.935073      0.430342      4.686571
  Mo     -3.653380      2.267649      4.921841
  N      -4.974226      2.060205      6.313021
  C      -4.456741      1.891461      7.676737
  C      -3.077527      1.234565      7.690918
  N      -2.174710      1.899842      6.715708
  C      -1.101479      1.011123      6.218546
  C      -1.681229     -0.037504      5.265729
  C      -1.613860      3.182954      7.211798
  C      -1.590613      4.113160      6.004920
  N      -2.907766      4.072789      5.362649
  H      -0.933645     -0.237557      4.478372
  H      -1.854140     -0.999990      5.782688
  H      -0.385724      1.649589      5.681440
  H      -0.561084      0.542188      7.057905
  H      -1.339060      5.143904      6.298052
  H      -0.805724      3.786279      5.302508
  H      -2.276035      3.583783      7.990498
  H      -0.615941      3.024515      7.652110
  H      -5.154846      1.255983      8.247900
  H      -4.424573      2.872283      8.185442
  H      -3.169106      0.180522      7.397496
  H      -2.644686      1.274452      8.704968
  C      -3.835914     -0.648276      4.272621
  C      -3.342706     -1.491292      3.091125
  C      -3.249568     -0.711122      1.798396
  O      -4.612896     -0.413925      1.376683
  C      -4.737791      0.145381      0.138339
  C      -5.490173     -0.499111     -0.826139
  C      -5.659895      0.104642     -2.091871
  N      -5.148494      1.274179     -2.442780
  C      -4.423127      1.936265     -1.494959
  C      -3.900449      3.218608     -1.795808
  C      -3.216447      3.911807     -0.823650
  C      -3.042838      3.314820      0.446311
  N      -3.486348      2.113320      0.765651
  C      -4.183737      1.424856     -0.178401
  C      -3.716601      5.284866      5.564365
  C      -4.806166      5.519468      4.528172
  C      -4.221214      5.784655      3.143511
  O      -5.003728      5.186066      2.095611
  C      -6.226474      5.667932      1.804489
  C      -6.760671      6.878331      2.214925
  C      -8.027083      7.262173      1.719042
  N      -8.753311      6.572686      0.853256
  C      -8.248903      5.363312      0.464086
  C      -8.972178      4.563008     -0.454705
  C      -8.486713      3.317183     -0.787572
  C      -7.294297      2.861070     -0.182116
  N      -6.570049      3.582036      0.658610
  C      -7.017731      4.831294      0.953028
  C      -6.420448      2.066641      6.176788
  C      -7.105569      3.302449      6.791050
  C      -8.364189      3.651474      6.019268
  O      -7.991324      4.078030      4.680359
  C      -8.943518      3.805483      3.731340
  C      -9.956067      4.698145      3.455092
  C     -10.927162      4.361299      2.483583
  N     -10.939896      3.232854      1.794330
  C      -9.915863      2.360200      2.019774
  C      -9.837576      1.172369      1.252127
  C      -8.780811      0.310636      1.448064
  C      -7.794215      0.643521      2.404043
  N      -7.829028      1.737379      3.151148
  C      -8.873976      2.592347      2.975111
  H      -3.982134     -1.302865      5.153837
  H      -4.815574     -0.218685      4.025822
  H      -2.353065     -1.919165      3.315068
  H      -4.033817     -2.337574      2.953775
  H      -2.762651     -1.304514      1.008341
  H      -2.702043      0.233191      1.934311
  H      -5.937636     -1.469532     -0.607857
  H      -6.246266     -0.418253     -2.854182
  H      -4.074968      3.627718     -2.792085
  H      -2.814565      4.907464     -1.014870
  H      -2.508096      3.860315      1.229416
  H      -3.034498      6.152637      5.586108
  H      -4.194213      5.234433      6.562757
  H      -5.441474      6.349805      4.866569
  H      -5.458027      4.636858      4.464406
  H      -3.253734      5.274882      3.045123
  H      -4.066791      6.858640      2.948084
  H      -6.223821      7.544976      2.888391
  H      -8.446824      8.218609      2.048397
  H      -9.909729      4.949620     -0.856336
  H      -9.030809      2.660572     -1.467120
  H      -6.924804      1.853164     -0.389679
  H      -6.812246      1.149594      6.656777
  H      -6.669273      2.017414      5.108690
  H      -6.416839      4.161321      6.787982
  H      -7.394575      3.123325      7.838674
  H      -8.921167      4.467384      6.508350
  H      -9.030253      2.775170      5.950134
  H      -9.995887      5.660055      3.966983
  H     -11.734290      5.069872      2.274130
  H     -10.600625      0.996997      0.492145
  H      -8.677932     -0.603309      0.861703
  H      -6.922282     -0.008024      2.530976
  N      -4.656094      2.539858      3.539825
  H      -5.195518      2.764587      2.688736
100
Coordinates from ORCA-job orca E -6429.375038747437
  N      -2.965916      0.434762      4.677181
  Mo     -3.683817      2.267561      4.930737
  N      -4.997721      2.075176      6.331889
  C      -4.479623      1.902226      7.693759
  C      -3.109691      1.231323      7.699641
  N      -2.202585      1.888205      6.724291
  C      -1.140321      0.988530      6.227620
  C      -1.730395     -0.053771      5.278356
  C      -1.634287      3.170284      7.209544
  C      -1.586622      4.086463      5.994766
  N      -2.898322      4.062863      5.340363
  H      -0.977881     -0.279097      4.502597
  H      -1.930209     -1.007747      5.801943
  H      -0.415087      1.616686      5.691405
  H      -0.606078      0.512734      7.067251
  H      -1.319082      5.115302      6.279616
  H      -0.801726      3.740688      5.301314
  H      -2.299622      3.585434      7.977865
  H      -0.642179      3.007252      7.661632
  H      -5.180219      1.273767      8.269773
  H      -4.434715      2.881903      8.203565
  H      -3.213172      0.179828      7.401225
  H      -2.675294      1.260758      8.713701
  C      -3.861466     -0.636825      4.229656
  C      -3.345670     -1.474666      3.057140
  C      -3.239530     -0.696249      1.765670
  O      -4.600271     -0.411235      1.325733
  C      -4.713848      0.159891      0.092986
  C      -5.463489     -0.474764     -0.880525
  C      -5.618787      0.135502     -2.144793
  N      -5.097023      1.303856     -2.485244
  C      -4.375338      1.956448     -1.528084
  C      -3.841066      3.236148     -1.819711
  C      -3.157934      3.919213     -0.839874
  C      -2.998111      3.315090      0.428792
  N      -3.454069      2.116466      0.740924
  C      -4.148751      1.436879     -0.212155
  C      -3.675690      5.298521      5.528349
  C      -4.771310      5.546834      4.502959
  C      -4.200412      5.783886      3.107563
  O      -4.996823      5.175053      2.077102
  C      -6.221134      5.658339      1.796178
  C      -6.753408      6.866172      2.216093
  C      -8.027378      7.246977      1.736679
  N      -8.763054      6.555997      0.880069
  C      -8.258768      5.350660      0.478848
  C      -8.992141      4.549522     -0.431033
  C      -8.503597      3.309460     -0.779191
  C      -7.296245      2.860275     -0.199300
  N      -6.565593      3.579887      0.637507
  C      -7.017850      4.823301      0.948412
  C      -6.445839      2.097316      6.200856
  C      -7.115498      3.345345      6.808598
  C      -8.384117      3.686710      6.052481
  O      -8.019084      4.091094      4.706417
  C      -8.969723      3.792648      3.766180
  C      -9.995610      4.667688      3.480109
  C     -10.962505      4.305742      2.513890
  N     -10.956829      3.169578      1.836673
  C      -9.919308      2.315090      2.071951
  C      -9.820410      1.122764      1.314526
  C      -8.748490      0.280809      1.517554
  C      -7.768686      0.637341      2.472484
  N      -7.824093      1.735146      3.212132
  C      -8.882089      2.572155      3.026242
  H      -4.031438     -1.300023      5.100263
  H      -4.834060     -0.201425      3.966077
  H      -2.358639     -1.900875      3.295355
  H      -4.030673     -2.324423      2.911217
  H      -2.740560     -1.290177      0.983621
  H      -2.700439      0.251921      1.903865
  H      -5.917719     -1.443904     -0.671309
  H      -6.201528     -0.380677     -2.914161
  H      -4.004507      3.649603     -2.815915
  H      -2.745520      4.911746     -1.023911
  H      -2.460147      3.851274      1.215929
  H      -2.972104      6.149229      5.527470
  H      -4.140767      5.278767      6.533683
  H      -5.380583      6.396237      4.842475
  H      -5.446817      4.681424      4.460061
  H      -3.237733      5.265171      3.009694
  H      -4.040113      6.852701      2.890919
  H      -6.211375      7.532556      2.885445
  H      -8.445840      8.200927      2.073938
  H      -9.939183      4.930996     -0.814289
  H      -9.055796      2.651732     -1.451673
  H      -6.922608      1.858273     -0.420393
  H      -6.848803      1.188682      6.686826
  H      -6.696664      2.043906      5.131404
  H      -6.424296      4.201304      6.777338
  H      -7.384051      3.187143      7.864876
  H      -8.934660      4.511325      6.534031
  H      -9.052151      2.810980      6.000643
  H     -10.048395      5.634894      3.980614
  H     -11.779282      5.000384      2.296609
  H     -10.580223      0.928895      0.555987
  H      -8.628766     -0.635232      0.937942
  H      -6.884136      0.002846      2.603149
  N      -4.692267      2.546911      3.549954
  H      -5.221388      2.781849      2.694876
100
Coordinates from ORCA-job orca E -6429.377079776598
  N      -2.957344      0.434132      4.691037
  Mo     -3.694246      2.253613      4.958758
  N      -5.006883      2.065702      6.363237
  C      -4.497187      1.894086      7.727753
  C      -3.129514      1.221230      7.734408
  N      -2.219781      1.876932      6.761355
  C      -1.155751      0.976378      6.271858
  C      -1.741873     -0.066090      5.323884
  C      -1.658807      3.163667      7.237923
  C      -1.585532      4.064846      6.015380
  N      -2.886804      4.044766      5.337746
  H      -0.978717     -0.314450      4.565904
  H      -1.966555     -1.010502      5.855398
  H      -0.424012      1.600701      5.740184
  H      -0.628109      0.498788      7.114997
  H      -1.313618      5.093585      6.295405
  H      -0.792434      3.708389      5.336611
  H      -2.337528      3.589051      7.988918
  H      -0.674813      3.006928      7.710738
  H      -5.198759      1.267618      8.304609
  H      -4.451532      2.873438      8.238145
  H      -3.234928      0.171150      7.431768
  H      -2.697737      1.244423      8.750128
  C      -3.834497     -0.638275      4.205297
  C      -3.285682     -1.457857      3.036545
  C      -3.186113     -0.671671      1.749357
  O      -4.553181     -0.414203      1.308869
  C      -4.692394      0.164928      0.082995
  C      -5.453915     -0.477935     -0.876424
  C      -5.643111      0.130179     -2.136690
  N      -5.144723      1.306273     -2.485908
  C      -4.413570      1.967925     -1.542614
  C      -3.903592      3.254671     -1.846796
  C      -3.207291      3.947303     -0.883476
  C      -3.012230      3.346756      0.382107
  N      -3.448814      2.143913      0.707604
  C      -4.151741      1.451257     -0.231088
  C      -3.643692      5.296812      5.506217
  C      -4.744245      5.550912      4.487690
  C      -4.183280      5.763158      3.084360
  O      -4.991506      5.147860      2.068592
  C      -6.209618      5.646819      1.790298
  C      -6.723531      6.862003      2.211678
  C      -7.995217      7.258892      1.738686
  N      -8.744830      6.575971      0.888039
  C      -8.257589      5.365013      0.483008
  C      -9.005991      4.574806     -0.423455
  C      -8.532365      3.331924     -0.780402
  C      -7.324672      2.868544     -0.212276
  N      -6.581442      3.576118      0.624809
  C      -7.019437      4.822764      0.944074
  C      -6.455946      2.099661      6.225118
  C      -7.113733      3.366487      6.805759
  C      -8.383723      3.703186      6.048882
  O      -8.018829      4.079539      4.694440
  C      -8.971413      3.776586      3.757956
  C     -10.000730      4.648973      3.473274
  C     -10.970448      4.283825      2.511319
  N     -10.963683      3.146225      1.835950
  C      -9.922987      2.295110      2.069063
  C      -9.825472      1.101155      1.314417
  C      -8.748982      0.264010      1.511618
  C      -7.764371      0.626205      2.459843
  N      -7.820101      1.723503      3.199890
  C      -8.881935      2.556569      3.018921
  H      -4.022333     -1.316430      5.060727
  H      -4.803609     -0.206720      3.925099
  H      -2.294583     -1.869555      3.283035
  H      -3.953239     -2.319871      2.880057
  H      -2.676182     -1.256091      0.966936
  H      -2.665663      0.285491      1.890033
  H      -5.890127     -1.453655     -0.659398
  H      -6.233464     -0.393821     -2.894829
  H      -4.093853      3.663729     -2.840130
  H      -2.810624      4.944391     -1.077650
  H      -2.461136      3.889780      1.155995
  H      -2.926091      6.135625      5.482013
  H      -4.097425      5.306294      6.516682
  H      -5.330305      6.417552      4.825237
  H      -5.440325      4.699791      4.462815
  H      -3.224353      5.237188      2.988632
  H      -4.018908      6.827500      2.849913
  H      -6.169526      7.522499      2.877118
  H      -8.399016      8.218999      2.076282
  H      -9.951808      4.967328     -0.798561
  H      -9.095573      2.683598     -1.453077
  H      -6.962106      1.864920     -0.443411
  H      -6.874700      1.204738      6.722137
  H      -6.698837      2.032598      5.153607
  H      -6.416291      4.216099      6.744106
  H      -7.371638      3.239136      7.868900
  H      -8.925332      4.541930      6.515922
  H      -9.060211      2.832988      6.014520
  H     -10.053862      5.616541      3.973185
  H     -11.789348      4.976220      2.295267
  H     -10.592258      0.901110      0.564432
  H      -8.629969     -0.653228      0.933609
  H      -6.876742     -0.004295      2.585410
  N      -4.701602      2.530029      3.574364
  H      -5.214706      2.769450      2.710826
100
Coordinates from ORCA-job orca E -6429.378769424299
  N      -2.969448      0.434819      4.693169
  Mo     -3.710019      2.246361      4.974491
  N      -5.016338      2.066588      6.388105
  C      -4.511591      1.895376      7.754124
  C      -3.148576      1.213808      7.757942
  N      -2.240678      1.863485      6.779709
  C      -1.180030      0.956936      6.293124
  C      -1.774715     -0.084759      5.351584
  C      -1.677343      3.151152      7.248414
  C      -1.580912      4.040968      6.020533
  N      -2.875493      4.029005      5.325937
  H      -1.007957     -0.362229      4.607799
  H      -2.028388     -1.015734      5.894021
  H      -0.443162      1.573910      5.760054
  H      -0.656550      0.476554      7.137514
  H      -1.300833      5.067690      6.299444
  H      -0.784579      3.674102      5.351223
  H      -2.364339      3.589795      7.984490
  H      -0.700802      2.995648      7.737917
  H      -5.216067      1.275097      8.333935
  H      -4.459292      2.875434      8.263009
  H      -3.264090      0.164983      7.454143
  H      -2.711267      1.230935      8.771541
  C      -3.840471     -0.629305      4.173998
  C      -3.267546     -1.436124      3.006862
  C      -3.165072     -0.640824      1.724532
  O      -4.531390     -0.397728      1.273655
  C      -4.671515      0.193724      0.054702
  C      -5.438066     -0.440779     -0.906893
  C      -5.623389      0.171795     -2.165440
  N      -5.115455      1.345276     -2.511521
  C      -4.380005      1.998676     -1.565858
  C      -3.858504      3.281359     -1.868245
  C      -3.154872      3.965909     -0.904492
  C      -2.965562      3.362010      0.360634
  N      -3.415145      2.163467      0.685950
  C      -4.122924      1.477609     -0.254459
  C      -3.611180      5.296544      5.478514
  C      -4.720869      5.554204      4.469976
  C      -4.174886      5.744233      3.056873
  O      -4.996615      5.119685      2.058218
  C      -6.212936      5.624061      1.780963
  C      -6.720196      6.843337      2.199406
  C      -7.994346      7.241669      1.733508
  N      -8.752994      6.555280      0.893641
  C      -8.271188      5.341597      0.489542
  C      -9.029053      4.549715     -0.407261
  C      -8.559075      3.306003     -0.766396
  C      -7.345140      2.843737     -0.210068
  N      -6.592879      3.552796      0.618259
  C      -7.028949      4.799633      0.940818
  C      -6.466408      2.119350      6.251322
  C      -7.102205      3.407606      6.807099
  C      -8.376793      3.742620      6.056617
  O      -8.022977      4.083642      4.689685
  C      -8.985525      3.768320      3.767434
  C     -10.026454      4.630014      3.491428
  C     -11.003807      4.252477      2.541966
  N     -10.994313      3.111590      1.871347
  C      -9.944531      2.270124      2.097251
  C      -9.848095      1.070954      1.350225
  C      -8.763166      0.243506      1.539544
  C      -7.769721      0.619444      2.473713
  N      -7.824623      1.720506      3.208161
  C      -8.894181      2.545261      3.033905
  H      -4.051987     -1.319192      5.014176
  H      -4.800704     -0.190858      3.875779
  H      -2.275960     -1.841324      3.261441
  H      -3.925740     -2.303272      2.837579
  H      -2.643375     -1.216634      0.943292
  H      -2.656360      0.321404      1.872745
  H      -5.878519     -1.415438     -0.692715
  H      -6.216437     -0.345903     -2.926150
  H      -4.045891      3.693338     -2.861151
  H      -2.748446      4.959582     -1.097499
  H      -2.408450      3.897668      1.135793
  H      -2.881633      6.124192      5.427689
  H      -4.049502      5.332873      6.495132
  H      -5.284888      6.436285      4.805638
  H      -5.433390      4.716212      4.463566
  H      -3.217949      5.214925      2.958441
  H      -4.011298      6.805243      2.806800
  H      -6.160448      7.505734      2.858292
  H      -8.393517      8.204945      2.068550
  H      -9.978708      4.941841     -0.773789
  H      -9.128153      2.657459     -1.433940
  H      -6.984452      1.839584     -0.445497
  H      -6.900144      1.241539      6.764960
  H      -6.710922      2.037802      5.181768
  H      -6.395084      4.246502      6.708592
  H      -7.343767      3.312853      7.877466
  H      -8.902017      4.598382      6.511528
  H      -9.064793      2.880501      6.048514
  H     -10.082727      5.598702      3.989353
  H     -11.831753      4.936026      2.331153
  H     -10.625533      0.857454      0.614707
  H      -8.645753     -0.677961      0.967494
  H      -6.876655     -0.004125      2.594516
  N      -4.715002      2.526083      3.589235
  H      -5.213383      2.770811      2.718696
100
Coordinates from ORCA-job orca E -6429.380189130573
  N      -2.963910      0.437763      4.701830
  Mo     -3.721170      2.236776      4.997921
  N      -5.025646      2.055798      6.415566
  C      -4.530307      1.884348      7.784146
  C      -3.167831      1.201584      7.790176
  N      -2.262244      1.852267      6.810978
  C      -1.197155      0.948455      6.328658
  C      -1.790970     -0.094208      5.390263
  C      -1.705886      3.142723      7.277856
  C      -1.586003      4.023313      6.046310
  N      -2.870078      4.013828      5.329211
  H      -1.017123     -0.395863      4.663883
  H      -2.071942     -1.012374      5.941037
  H      -0.459571      1.565037      5.796669
  H      -0.676257      0.468469      7.174813
  H      -1.306255      5.049748      6.326526
  H      -0.781705      3.651998      5.389613
  H      -2.407073      3.589597      7.995427
  H      -0.739448      2.992575      7.788900
  H      -5.238314      1.265803      8.361399
  H      -4.478990      2.864664      8.292819
  H      -3.286439      0.153810      7.483543
  H      -2.727872      1.214338      8.802454
  C      -3.817277     -0.624822      4.148069
  C      -3.209993     -1.414014      2.984876
  C      -3.118417     -0.612775      1.705199
  O      -4.488922     -0.408161      1.249516
  C      -4.650587      0.183881      0.034246
  C      -5.424175     -0.460261     -0.915844
  C      -5.636832      0.148547     -2.171122
  N      -5.150042      1.328630     -2.524973
  C      -4.409276      1.991315     -1.590418
  C      -3.910178      3.280755     -1.901349
  C      -3.199598      3.975108     -0.949851
  C      -2.982874      3.374951      0.312277
  N      -3.413163      2.171634      0.646460
  C      -4.123579      1.474391     -0.283189
  C      -3.589833      5.292623      5.464268
  C      -4.702769      5.553669      4.460597
  C      -4.163186      5.727448      3.042023
  O      -4.994160      5.098331      2.054250
  C      -6.206755      5.613497      1.777291
  C      -6.703907      6.834453      2.202674
  C      -7.976571      7.244483      1.743598
  N      -8.744388      6.566788      0.905602
  C      -8.271688      5.352651      0.492222
  C      -9.038938      4.571990     -0.406117
  C      -8.575821      3.329992     -0.779951
  C      -7.359693      2.858508     -0.236568
  N      -6.599878      3.556037      0.594462
  C      -7.029850      4.800752      0.932367
  C      -6.475008      2.128398      6.272779
  C      -7.090058      3.434142      6.808241
  C      -8.366530      3.769041      6.061376
  O      -8.014730      4.076890      4.686214
  C      -8.983214      3.758902      3.771064
  C     -10.030783      4.615328      3.504013
  C     -11.008642      4.237355      2.555778
  N     -10.995144      3.099981      1.879280
  C      -9.941959      2.262029      2.099326
  C      -9.845265      1.063742      1.350426
  C      -8.757780      0.239010      1.534743
  C      -7.763589      0.615202      2.467748
  N      -7.818875      1.714131      3.205023
  C      -8.889792      2.537910      3.033999
  H      -4.045644     -1.325832      4.973881
  H      -4.771915     -0.189056      3.829960
  H      -2.212152     -1.796912      3.247651
  H      -3.845433     -2.296024      2.805789
  H      -2.579025     -1.173992      0.925465
  H      -2.635918      0.362183      1.856525
  H      -5.848021     -1.440369     -0.693816
  H      -6.234867     -0.376375     -2.922737
  H      -4.119759      3.689408     -2.891033
  H      -2.809076      4.973642     -1.149854
  H      -2.421685      3.917797      1.079160
  H      -2.850343      6.110167      5.393686
  H      -4.018040      5.350788      6.484181
  H      -5.248741      6.447911      4.793834
  H      -5.428836      4.728222      4.463816
  H      -3.207842      5.195477      2.942924
  H      -3.999266      6.785879      2.781815
  H      -6.138184      7.489415      2.863625
  H      -8.367721      8.208849      2.084553
  H      -9.988735      4.971825     -0.763606
  H      -9.150197      2.691105     -1.451837
  H      -7.004591      1.855630     -0.485891
  H      -6.924561      1.264681      6.796273
  H      -6.716812      2.038610      5.203942
  H      -6.373844      4.261514      6.680608
  H      -7.319072      3.367143      7.883135
  H      -8.877072      4.639817      6.504088
  H      -9.065434      2.915853      6.073848
  H     -10.091285      5.580451      4.008050
  H     -11.841202      4.916698      2.350025
  H     -10.626737      0.847119      0.620338
  H      -8.640796     -0.681898      0.961935
  H      -6.869993     -0.007358      2.587205
  N      -4.723130      2.517009      3.611393
  H      -5.206991      2.763844      2.733938
100
Coordinates from ORCA-job orca E -6429.381408918930
  N      -2.971082      0.433918      4.708630
  Mo     -3.733778      2.226566      5.018690
  N      -5.034451      2.053292      6.443498
  C      -4.545227      1.884996      7.813877
  C      -3.187129      1.193956      7.821863
  N      -2.283414      1.836770      6.835878
  C      -1.220494      0.927916      6.356376
  C      -1.821959     -0.114827      5.424981
  C      -1.723890      3.127784      7.297440
  C      -1.582562      3.997741      6.060788
  N      -2.859310      3.994805      5.328131
  H      -1.044889     -0.445505      4.715206
  H      -2.134509     -1.016768      5.985436
  H      -0.482048      1.539448      5.820018
  H      -0.700867      0.448951      7.203847
  H      -1.298685      5.023515      6.339362
  H      -0.774923      3.617520      5.413786
  H      -2.433062      3.587736      7.998798
  H      -0.766656      2.977351      7.825600
  H      -5.259320      1.273841      8.391517
  H      -4.489082      2.867556      8.317873
  H      -3.315490      0.146342      7.518207
  H      -2.740843      1.205826      8.831108
  C      -3.813022     -0.619835      4.118563
  C      -3.179149     -1.391449      2.956567
  C      -3.087190     -0.578172      1.684026
  O      -4.456669     -0.390723      1.218404
  C      -4.626095      0.209790      0.008506
  C      -5.404187     -0.432735     -0.939537
  C      -5.624330      0.178103     -2.191930
  N      -5.140944      1.359605     -2.546238
  C      -4.397811      2.021812     -1.613400
  C      -3.903458      3.313132     -1.924326
  C      -3.191360      4.008828     -0.974946
  C      -2.970142      3.408825      0.286101
  N      -3.396324      2.203866      0.620656
  C      -4.105316      1.503757     -0.307898
  C      -3.559891      5.286817      5.441471
  C      -4.679591      5.547564      4.445136
  C      -4.153429      5.694213      3.017296
  O      -4.999605      5.055793      2.048195
  C      -6.207960      5.580733      1.768678
  C      -6.694263      6.807511      2.189725
  C      -7.965975      7.224932      1.735029
  N      -8.743553      6.548402      0.905084
  C      -8.280111      5.329883      0.493458
  C      -9.056612      4.551622     -0.399336
  C      -8.601088      3.307220     -0.775290
  C      -7.383469      2.831129     -0.239216
  N      -6.615714      3.526062      0.586240
  C      -7.038837      4.772093      0.927379
  C      -6.482949      2.150393      6.297839
  C      -7.072952      3.478960      6.804610
  C      -8.352633      3.813076      6.062060
  O      -8.007477      4.076442      4.676154
  C      -8.986987      3.751889      3.775506
  C     -10.045289      4.599345      3.522518
  C     -11.030815      4.213871      2.585615
  N     -11.016327      3.076868      1.908422
  C      -9.955725      2.245807      2.117865
  C      -9.862678      1.044023      1.373657
  C      -8.769477      0.225000      1.549027
  C      -7.767152      0.609265      2.469821
  N      -7.818666      1.710894      3.203195
  C      -8.894333      2.530065      3.039503
  H      -4.062843     -1.331341      4.928455
  H      -4.757765     -0.177580      3.781248
  H      -2.178770     -1.761873      3.226808
  H      -3.799501     -2.281043      2.762383
  H      -2.532871     -1.125024      0.904523
  H      -2.620285      0.402095      1.846474
  H      -5.823422     -1.414838     -0.717222
  H      -6.224630     -0.346186     -2.942255
  H      -4.118402      3.722432     -2.912660
  H      -2.803999      5.008501     -1.175604
  H      -2.409020      3.952204      1.052634
  H      -2.809263      6.091710      5.345218
  H      -3.974298      5.371456      6.465259
  H      -5.205518      6.456425      4.771107
  H      -5.419846      4.735506      4.466155
  H      -3.202076      5.155920      2.915316
  H      -3.987011      6.747761      2.739462
  H      -6.121755      7.461055      2.846237
  H      -8.348440      8.193828      2.073188
  H     -10.006236      4.956181     -0.752006
  H      -9.180617      2.671633     -1.445923
  H      -7.034089      1.826849     -0.491498
  H      -6.948328      1.306257      6.839246
  H      -6.726382      2.043534      5.231136
  H      -6.346100      4.290776      6.642658
  H      -7.288486      3.446820      7.883819
  H      -8.844644      4.703041      6.487309
  H      -9.064451      2.971690      6.103632
  H     -10.108288      5.563370      4.028414
  H     -11.870845      4.886632      2.388311
  H     -10.653874      0.818060      0.656929
  H      -8.655919     -0.698793      0.980118
  H      -6.871317     -0.010857      2.585243
  N      -4.735831      2.509969      3.633258
  H      -5.210485      2.756561      2.751026
100
Coordinates from ORCA-job orca E -6429.382437062626
  N      -2.955248      0.438922      4.715766
  Mo     -3.734861      2.222194      5.039735
  N      -5.038078      2.042571      6.464430
  C      -4.559169      1.874438      7.837747
  C      -3.200816      1.185062      7.851072
  N      -2.298568      1.830106      6.865437
  C      -1.230155      0.925368      6.389382
  C      -1.828704     -0.118865      5.460832
  C      -1.746209      3.123105      7.330004
  C      -1.587170      3.990673      6.093951
  N      -2.854201      3.987114      5.344098
  H      -1.044679     -0.471649      4.769777
  H      -2.168194     -1.007201      6.027274
  H      -0.494384      1.538725      5.851716
  H      -0.710335      0.449468      7.238334
  H      -1.309156      5.016819      6.376840
  H      -0.771217      3.611739      5.457085
  H      -2.468173      3.586455      8.015824
  H      -0.798795      2.975615      7.876235
  H      -5.277627      1.262635      8.409263
  H      -4.507563      2.857001      8.342134
  H      -3.329149      0.137702      7.546439
  H      -2.753786      1.196694      8.859705
  C      -3.777794     -0.614220      4.095479
  C      -3.115300     -1.367898      2.937468
  C      -3.042574     -0.550600      1.666435
  O      -4.416715     -0.400918      1.202540
  C      -4.610920      0.193122     -0.005959
  C      -5.407942     -0.455105     -0.934441
  C      -5.655411      0.149241     -2.184419
  N      -5.180800      1.329395     -2.555110
  C      -4.418767      1.996602     -1.641338
  C      -3.930491      3.285919     -1.969117
  C      -3.197854      3.986159     -1.038737
  C      -2.951019      3.392947      0.220536
  N      -3.371146      2.190472      0.570350
  C      -4.098850      1.485870     -0.339602
  C      -3.546899      5.284734      5.442377
  C      -4.671387      5.543965      4.451360
  C      -4.155737      5.682240      3.018201
  O      -5.010553      5.041643      2.057668
  C      -6.214234      5.577275      1.775992
  C      -6.692190      6.804735      2.204272
  C      -7.960792      7.234257      1.752889
  N      -8.744251      6.568111      0.920270
  C      -8.287972      5.350437      0.498406
  C      -9.069540      4.584985     -0.401306
  C      -8.619583      3.343378     -0.792707
  C      -7.402369      2.857061     -0.265102
  N      -6.631260      3.539320      0.567305
  C      -7.048946      4.782208      0.925075
  C      -6.485313      2.155973      6.312006
  C      -7.059443      3.498580      6.799062
  C      -8.342166      3.831647      6.060189
  O      -8.000911      4.061937      4.667718
  C      -8.988769      3.740482      3.775525
  C     -10.054934      4.583491      3.540563
  C     -11.043589      4.202847      2.605444
  N     -11.027096      3.073654      1.915528
  C      -9.962675      2.244453      2.112044
  C      -9.872467      1.046831      1.360857
  C      -8.778487      0.226992      1.527487
  C      -7.773270      0.606065      2.446809
  N      -7.820793      1.704432      3.185238
  C      -8.896806      2.524684      3.029504
  H      -4.039172     -1.334705      4.893262
  H      -4.717284     -0.174720      3.741150
  H      -2.106397     -1.711070      3.211297
  H      -3.709763     -2.273779      2.738332
  H      -2.473131     -1.080572      0.886291
  H      -2.602316      0.441709      1.830167
  H      -5.820872     -1.436365     -0.697538
  H      -6.271033     -0.379051     -2.919227
  H      -4.165842      3.690147     -2.954779
  H      -2.813484      4.983977     -1.253302
  H      -2.373538      3.939405      0.972213
  H      -2.791198      6.083038      5.331060
  H      -3.952822      5.384560      6.468147
  H      -5.187533      6.458633      4.776500
  H      -5.417540      4.737647      4.479568
  H      -3.205486      5.143253      2.910780
  H      -3.991158      6.734375      2.734295
  H      -6.116059      7.449485      2.866081
  H      -8.336251      8.203347      2.097809
  H     -10.017553      4.998023     -0.748091
  H      -9.201454      2.718853     -1.471461
  H      -7.056161      1.855409     -0.531597
  H      -6.962656      1.324840      6.863123
  H      -6.726944      2.038668      5.246606
  H      -6.326708      4.299383      6.612780
  H      -7.264483      3.490351      7.880688
  H      -8.820662      4.734997      6.472235
  H      -9.062764      2.999303      6.122390
  H     -10.121248      5.541050      4.057952
  H     -11.888186      4.873080      2.419847
  H     -10.668095      0.822628      0.648692
  H      -8.667912     -0.694439      0.954428
  H      -6.879548     -0.017249      2.559119
  N      -4.731979      2.507417      3.651043
  H      -5.197351      2.752410      2.763798
100
Coordinates from ORCA-job orca E -6429.383414292605
  N      -2.969107      0.430058      4.724756
  Mo     -3.753738      2.209473      5.064846
  N      -5.053594      2.040657      6.496773
  C      -4.578591      1.876142      7.871421
  C      -3.225474      1.178231      7.885991
  N      -2.324105      1.812980      6.892859
  C      -1.260789      0.900835      6.418184
  C      -1.868106     -0.142838      5.497249
  C      -1.765033      3.105816      7.350224
  C      -1.586792      3.961048      6.108245
  N      -2.847493      3.964317      5.347272
  H      -1.081920     -0.525272      4.824666
  H      -2.239545     -1.013563      6.071141
  H      -0.525530      1.508159      5.873008
  H      -0.739756      0.427243      7.267684
  H      -1.302757      4.986989      6.385730
  H      -0.769262      3.570040      5.480937
  H      -2.491402      3.582712      8.021995
  H      -0.825780      2.955368      7.909604
  H      -5.302676      1.271597      8.443615
  H      -4.521605      2.860515      8.371645
  H      -3.362735      0.130398      7.586950
  H      -2.773093      1.192075      8.892112
  C      -3.772917     -0.614805      4.064323
  C      -3.078151     -1.342143      2.908688
  C      -3.007549     -0.508934      1.647460
  O      -4.379413     -0.385841      1.169299
  C      -4.583665      0.213889     -0.034004
  C      -5.372614     -0.443300     -0.963410
  C      -5.630572      0.159920     -2.211403
  N      -5.175469      1.348374     -2.579883
  C      -4.424227      2.025648     -1.664524
  C      -3.959902      3.324526     -1.989019
  C      -3.240768      4.036521     -1.057012
  C      -2.983918      3.445445      0.201167
  N      -3.381566      2.234314      0.548007
  C      -4.093873      1.516931     -0.364334
  C      -3.514274      5.277920      5.413611
  C      -4.640725      5.537630      4.425827
  C      -4.136856      5.639128      2.984951
  O      -5.009998      4.991587      2.045555
  C      -6.207442      5.540561      1.762496
  C      -6.672690      6.773021      2.190416
  C      -7.940510      7.212199      1.746217
  N      -8.735475      6.550268      0.921082
  C      -8.290092      5.329398      0.496728
  C      -9.082078      4.569896     -0.399133
  C      -8.641040      3.327506     -0.797808
  C      -7.422241      2.833759     -0.280459
  N      -6.642668      3.509699      0.548949
  C      -7.051627      4.753041      0.914126
  C      -6.499093      2.180402      6.343086
  C      -7.045766      3.543396      6.803311
  C      -8.329291      3.878181      6.066547
  O      -7.988634      4.059155      4.667105
  C      -8.983389      3.734758      3.784986
  C     -10.058670      4.569527      3.560898
  C     -11.049974      4.183658      2.630867
  N     -11.029616      3.056082      1.938279
  C      -9.959349      2.232662      2.128819
  C      -9.869604      1.032583      1.381713
  C      -8.772270      0.216506      1.545869
  C      -7.764273      0.601025      2.459899
  N      -7.810737      1.702154      3.194189
  C      -8.889432      2.519202      3.039330
  H      -4.051291     -1.349355      4.843026
  H      -4.703758     -0.171497      3.692429
  H      -2.065127     -1.665179      3.191428
  H      -3.648679     -2.259256      2.691624
  H      -2.417331     -1.017219      0.868418
  H      -2.590655      0.490679      1.826098
  H      -5.768834     -1.431948     -0.728673
  H      -6.238494     -0.376559     -2.946756
  H      -4.202988      3.726835     -2.973617
  H      -2.875026      5.041761     -1.269578
  H      -2.418280      4.001840      0.954724
  H      -2.742742      6.056908      5.275618
  H      -3.908262      5.412849      6.440015
  H      -5.134810      6.469226      4.737160
  H      -5.403312      4.748046      4.474769
  H      -3.194631      5.086037      2.878144
  H      -3.962352      6.683033      2.677869
  H      -6.088526      7.413439      2.849322
  H      -8.305703      8.184796      2.092316
  H     -10.029795      4.989609     -0.738794
  H      -9.229214      2.709264     -1.476881
  H      -7.082159      1.831865     -0.553535
  H      -6.992401      1.369751      6.910311
  H      -6.743932      2.047685      5.280054
  H      -6.302212      4.326118      6.586776
  H      -7.238603      3.567421      7.886961
  H      -8.789352      4.800806      6.456103
  H      -9.062972      3.059993      6.155722
  H     -10.130141      5.525034      4.081438
  H     -11.900260      4.848517      2.451718
  H     -10.670019      0.801382      0.677155
  H      -8.662397     -0.707336      0.976556
  H      -6.870510     -0.022078      2.573325
  N      -4.754447      2.497459      3.680750
  H      -5.218315      2.737780      2.791777
100
Coordinates from ORCA-job orca E -6429.384308835112
  N      -2.970020      0.423481      4.736450
  Mo     -3.763526      2.198492      5.089099
  N      -5.064104      2.033671      6.523255
  C      -4.594939      1.873994      7.900407
  C      -3.243748      1.173304      7.919895
  N      -2.342672      1.800901      6.921837
  C      -1.281224      0.884638      6.450070
  C      -1.892459     -0.159531      5.534743
  C      -1.780465      3.094107      7.374607
  C      -1.588139      3.941847      6.129751
  N      -2.843443      3.947220      5.359998
  H      -1.102920     -0.566781      4.881047
  H      -2.290578     -1.015137      6.113704
  H      -0.547385      1.488252      5.898813
  H      -0.758691      0.414318      7.300459
  H      -1.302416      4.967797      6.405314
  H      -0.767522      3.544679      5.510396
  H      -2.511379      3.579266      8.035485
  H      -0.847489      2.942249      7.944051
  H      -5.322805      1.273071      8.471625
  H      -4.537941      2.859974      8.397550
  H      -3.383861      0.124081      7.627434
  H      -2.789696      1.192461      8.925136
  C      -3.752237     -0.616679      4.042046
  C      -3.027359     -1.315131      2.886874
  C      -2.968848     -0.466894      1.634534
  O      -4.340867     -0.370843      1.151268
  C      -4.561878      0.227336     -0.049290
  C      -5.359482     -0.436870     -0.966565
  C      -5.637261      0.160818     -2.212745
  N      -5.193914      1.350532     -2.591237
  C      -4.435263      2.035309     -1.687596
  C      -3.983543      3.335846     -2.022760
  C      -3.257455      4.056209     -1.102705
  C      -2.981444      3.471905      0.154553
  N      -3.366974      2.259578      0.511150
  C      -4.085118      1.533255     -0.389717
  C      -3.491148      5.271561      5.399509
  C      -4.621863      5.528574      4.416223
  C      -4.131445      5.602357      2.968883
  O      -5.021197      4.952548      2.046357
  C      -6.210952      5.516344      1.759918
  C      -6.662201      6.754456      2.186804
  C      -7.926241      7.206806      1.745045
  N      -8.730136      6.552629      0.922403
  C      -8.296900      5.328364      0.495396
  C      -9.096662      4.579093     -0.402260
  C      -8.666238      3.335438     -0.808148
  C      -7.450211      2.829593     -0.295560
  N      -6.664399      3.495127      0.536321
  C      -7.062830      4.739542      0.909125
  C      -6.507831      2.192326      6.366452
  C      -7.032437      3.572319      6.801175
  C      -8.315098      3.910651      6.063689
  O      -7.976531      4.046148      4.658806
  C      -8.979499      3.724229      3.786268
  C     -10.062757      4.553239      3.578422
  C     -11.059298      4.167266      2.654098
  N     -11.038273      3.044214      1.954067
  C      -9.963113      2.224326      2.132824
  C      -9.876918      1.025073      1.384119
  C      -8.777797      0.209912      1.541004
  C      -7.764675      0.594476      2.449412
  N      -7.806395      1.695931      3.183512
  C      -8.886807      2.512067      3.035306
  H      -4.040086     -1.366230      4.802475
  H      -4.678223     -0.173762      3.658015
  H      -2.007872     -1.612278      3.174470
  H      -3.570047     -2.245576      2.655614
  H      -2.362632     -0.952437      0.853252
  H      -2.575556      0.539793      1.825352
  H      -5.746657     -1.427155     -0.723670
  H      -6.251489     -0.381939     -2.938268
  H      -4.241322      3.732882     -3.005823
  H      -2.900497      5.062724     -1.324230
  H      -2.409964      4.035422      0.898390
  H      -2.708886      6.035441      5.238167
  H      -3.873417      5.435765      6.426108
  H      -5.100460      6.471686      4.717069
  H      -5.394548      4.750358      4.483647
  H      -3.196575      5.037057      2.860506
  H      -3.948759      6.639611      2.644440
  H      -6.070717      7.388678      2.845142
  H      -8.280275      8.183354      2.091735
  H     -10.041115      5.008742     -0.738764
  H      -9.259396      2.726323     -1.491181
  H      -7.117357      1.827150     -0.575529
  H      -7.014289      1.399963      6.947645
  H      -6.754117      2.044950      5.305658
  H      -6.279126      4.338648      6.560800
  H      -7.216708      3.623278      7.885285
  H      -8.756724      4.850946      6.431431
  H      -9.062064      3.107665      6.177078
  H     -10.136801      5.504775      4.105892
  H     -11.914224      4.829012      2.485529
  H     -10.682876      0.791960      0.686470
  H      -8.671181     -0.714186      0.971413
  H      -6.872159     -0.030699      2.560485
  N      -4.764617      2.487362      3.705433
  H      -5.229180      2.721515      2.815353
100
Coordinates from ORCA-job orca E -6429.385183865749
  N      -2.968643      0.415346      4.751528
  Mo     -3.773649      2.185363      5.115793
  N      -5.077223      2.023382      6.549571
  C      -4.614385      1.869232      7.929541
  C      -3.264080      1.167861      7.956044
  N      -2.361962      1.789024      6.955030
  C      -1.301717      0.869390      6.487322
  C      -1.914286     -0.175098      5.575764
  C      -1.798225      3.083066      7.403136
  C      -1.592642      3.923035      6.155371
  N      -2.842246      3.929068      5.376481
  H      -1.120419     -0.604778      4.941984
  H      -2.336367     -1.017382      6.157523
  H      -0.568809      1.469816      5.931240
  H      -0.778160      0.402269      7.338847
  H      -1.305507      4.949153      6.428566
  H      -0.768055      3.519958      5.545026
  H      -2.533537      3.574827      8.054218
  H      -0.870663      2.930714      7.981273
  H      -5.345057      1.270698      8.499702
  H      -4.559144      2.856725      8.423994
  H      -3.403733      0.116636      7.671044
  H      -2.811437      1.194173      8.961784
  C      -3.722017     -0.622158      4.021673
  C      -2.962391     -1.281496      2.865583
  C      -2.926855     -0.416193      1.623742
  O      -4.299222     -0.362584      1.135792
  C      -4.542375      0.230070     -0.062404
  C      -5.344248     -0.447725     -0.966254
  C      -5.646386      0.141081     -2.210861
  N      -5.223217      1.334581     -2.600344
  C      -4.461001      2.032426     -1.709698
  C      -4.030434      3.336942     -2.056586
  C      -3.300640      4.070233     -1.149761
  C      -2.999463      3.494606      0.105788
  N      -3.364819      2.279251      0.473087
  C      -4.086729      1.540386     -0.414577
  C      -3.467688      5.264520      5.384711
  C      -4.601548      5.518912      4.404596
  C      -4.124091      5.563236      2.952033
  O      -5.031642      4.914946      2.045478
  C      -6.212446      5.496221      1.757142
  C      -6.647448      6.739240      2.187014
  C      -7.907482      7.207627      1.750544
  N      -8.722033      6.564688      0.929735
  C      -8.303111      5.338060      0.495600
  C      -9.112574      4.603117     -0.405142
  C      -8.694579      3.359383     -0.823161
  C      -7.481307      2.838512     -0.318916
  N      -6.687686      3.489470      0.517126
  C      -7.073695      4.733978      0.902202
  C      -6.518898      2.200116      6.389404
  C      -7.020679      3.595871      6.800895
  C      -8.299443      3.942511      6.059865
  O      -7.960802      4.030072      4.651345
  C      -8.970383      3.713569      3.785905
  C     -10.060625      4.537693      3.593811
  C     -11.060712      4.154012      2.672416
  N     -11.038556      3.036924      1.962839
  C      -9.959229      2.219935      2.129876
  C      -9.875574      1.023211      1.376944
  C      -8.775421      0.208149      1.526903
  C      -7.758732      0.590330      2.432416
  N      -7.796671      1.690572      3.168485
  C      -8.878207      2.506508      3.026978
  H      -4.011907     -1.391792      4.760682
  H      -4.647572     -0.185692      3.629512
  H      -1.933923     -1.541137      3.157376
  H      -3.466202     -2.229739      2.619528
  H      -2.300426     -0.870197      0.839490
  H      -2.568785      0.600898      1.828086
  H      -5.715758     -1.441757     -0.714454
  H      -6.263426     -0.412955     -2.925449
  H      -4.306368      3.726513     -3.037723
  H      -2.958897      5.079911     -1.380792
  H      -2.423570      4.068847      0.837916
  H      -2.673310      6.010560      5.199644
  H      -3.838368      5.461771      6.409732
  H      -5.064554      6.473467      4.693622
  H      -5.384563      4.753086      4.491592
  H      -3.198700      4.982410      2.843720
  H      -3.929732      6.592745      2.610045
  H      -6.047023      7.364406      2.845827
  H      -8.248788      8.187179      2.101547
  H     -10.053662      5.044702     -0.735684
  H      -9.294372      2.762480     -1.511168
  H      -7.156573      1.836624     -0.610125
  H      -7.038828      1.425410      6.982111
  H      -6.765847      2.040813      5.330647
  H      -6.255750      4.344670      6.542398
  H      -7.198966      3.670478      7.884490
  H      -8.719328      4.901541      6.403488
  H      -9.062986      3.158857      6.196007
  H     -10.137942      5.484090      4.129986
  H     -11.919589      4.813338      2.514714
  H     -10.685433      0.790504      0.683680
  H      -8.671125     -0.714845      0.955074
  H      -6.867803     -0.037274      2.541190
  N      -4.774421      2.473433      3.731697
  H      -5.243329      2.699502      2.842082
100
Coordinates from ORCA-job orca E -6429.386058160985
  N      -2.964689      0.406217      4.769918
  Mo     -3.780868      2.171827      5.142462
  N      -5.090942      2.011507      6.572115
  C      -4.636166      1.862728      7.955470
  C      -3.286258      1.161532      7.992018
  N      -2.380707      1.776969      6.990807
  C      -1.320838      0.854233      6.528928
  C      -1.932634     -0.189932      5.618807
  C      -1.816359      3.071575      7.435834
  C      -1.597938      3.905308      6.186442
  N      -2.841369      3.911446      5.397525
  H      -1.133969     -0.638702      5.004410
  H      -2.375782     -1.020879      6.201293
  H      -0.587192      1.451742      5.970513
  H      -0.798318      0.389262      7.382266
  H      -1.310196      4.931385      6.458945
  H      -0.768491      3.497934      5.585422
  H      -2.555816      3.568221      8.078478
  H      -0.893560      2.918915      8.021537
  H      -5.369883      1.265994      8.523656
  H      -4.583857      2.851676      8.447554
  H      -3.423542      0.108111      7.714251
  H      -2.838330      1.195396      8.999698
  C      -3.686318     -0.628914      4.005871
  C      -2.892535     -1.244890      2.847858
  C      -2.882147     -0.361899      1.617580
  O      -4.253758     -0.351946      1.125338
  C      -4.521463      0.229702     -0.072504
  C      -5.329088     -0.466932     -0.957063
  C      -5.660463      0.106322     -2.201265
  N      -5.260890      1.302105     -2.608325
  C      -4.493759      2.018295     -1.736657
  C      -4.088584      3.325742     -2.102350
  C      -3.354594      4.077847     -1.214578
  C      -3.023552      3.517950      0.040560
  N      -3.364698      2.300844      0.425074
  C      -4.090445      1.543262     -0.443663
  C      -3.443857      5.256888      5.374055
  C      -4.582086      5.507500      4.397934
  C      -4.118452      5.522723      2.940723
  O      -5.043944      4.878368      2.049046
  C      -6.215430      5.477476      1.759541
  C      -6.633937      6.724431      2.194865
  C      -7.889330      7.210309      1.764236
  N      -8.713911      6.581103      0.943081
  C      -8.309206      5.353473      0.498596
  C      -9.127697      4.636112     -0.408049
  C      -8.721959      3.393786     -0.841811
  C      -7.511919      2.856405     -0.347147
  N      -6.711145      3.489493      0.495993
  C      -7.085169      4.732520      0.897371
  C      -6.530354      2.205609      6.407668
  C      -7.009218      3.615844      6.798893
  C      -8.282217      3.975065      6.053636
  O      -7.944822      4.013425      4.642888
  C      -8.961024      3.703755      3.784554
  C     -10.059404      4.521549      3.610523
  C     -11.062874      4.140488      2.691726
  N     -11.038221      3.031203      1.969942
  C      -9.953309      2.218772      2.122655
  C      -9.869792      1.026981      1.361846
  C      -8.767126      0.213726      1.502454
  C      -7.747427      0.593036      2.405944
  N      -7.783596      1.689996      3.146836
  C      -8.867891      2.503841      3.014732
  H      -3.974136     -1.420607      4.721817
  H      -4.613907     -0.201567      3.608549
  H      -1.856188     -1.464238      3.144704
  H      -3.354487     -2.209955      2.586157
  H      -2.236300     -0.781770      0.830090
  H      -2.560930      0.664224      1.836647
  H      -5.682790     -1.463719     -0.690945
  H      -6.281440     -0.463185     -2.900161
  H      -4.386407      3.702420     -3.082152
  H      -3.031417      5.090174     -1.460405
  H      -2.442699      4.107693      0.756291
  H      -2.638397      5.984825      5.165079
  H      -3.802225      5.486767      6.396587
  H      -5.030864      6.472309      4.675126
  H      -5.373938      4.753424      4.505722
  H      -3.203571      4.925423      2.832759
  H      -3.911344      6.544150      2.582190
  H      -6.024635      7.338767      2.855582
  H      -8.217918      8.191851      2.121871
  H     -10.064975      5.090669     -0.731901
  H      -9.328142      2.811333     -1.536610
  H      -7.195091      1.856369     -0.653288
  H      -7.063472      1.447533      7.009670
  H      -6.777304      2.036975      5.350372
  H      -6.231292      4.346594      6.527608
  H      -7.183503      3.710488      7.881442
  H      -8.676379      4.953207      6.372592
  H      -9.065017      3.214903      6.212252
  H     -10.141196      5.461388      4.157455
  H     -11.926871      4.796126      2.546900
  H     -10.682785      0.795529      0.671814
  H      -8.663306     -0.706216      0.925588
  H      -6.856501     -0.034931      2.510301
  N      -4.778728      2.458871      3.757088
  H      -5.255362      2.676483      2.869743
100
Coordinates from ORCA-job orca E -6429.386957834352
  N      -2.957136      0.396022      4.792768
  Mo     -3.785212      2.156529      5.170769
  N      -5.104922      1.997527      6.592985
  C      -4.660018      1.854238      7.980161
  C      -3.310193      1.153992      8.029514
  N      -2.398903      1.764389      7.030834
  C      -1.338263      0.839003      6.576528
  C      -1.946779     -0.204539      5.665187
  C      -1.835562      3.060051      7.473194
  C      -1.603441      3.887249      6.222162
  N      -2.839389      3.892620      5.420843
  H      -1.142960     -0.669098      5.069203
  H      -2.408777     -1.026055      6.246396
  H      -0.602144      1.434157      6.018723
  H      -0.819010      0.375167      7.432483
  H      -1.315943      4.913500      6.494153
  H      -0.768017      3.476035      5.631958
  H      -2.579576      3.560917      8.107235
  H      -0.917533      2.908397      8.066688
  H      -5.397099      1.258967      8.545607
  H      -4.611675      2.844715      8.469848
  H      -3.443635      0.098399      7.758215
  H      -2.870038      1.195232      9.040398
  C      -3.642490     -0.635984      3.993352
  C      -2.813614     -1.199862      2.832426
  C      -2.836391     -0.297905      1.615740
  O      -4.205360     -0.343132      1.119122
  C      -4.501910      0.222838     -0.078748
  C      -5.311733     -0.498992     -0.941190
  C      -5.676593      0.053510     -2.185011
  N      -5.307307      1.252059     -2.612450
  C      -4.538295      1.992168     -1.762728
  C      -4.165153      3.302775     -2.150198
  C      -3.430101      4.078922     -1.284293
  C      -3.065230      3.539733     -0.029538
  N      -3.375688      2.320828      0.374805
  C      -4.102640      1.539778     -0.471923
  C      -3.417304      5.247184      5.363040
  C      -4.560242      5.493104      4.390916
  C      -4.111317      5.479159      2.929434
  O      -5.055763      4.841907      2.051944
  C      -6.217333      5.460523      1.763198
  C      -6.617634      6.710318      2.207873
  C      -7.868137      7.216065      1.786334
  N      -8.704139      6.603928      0.964251
  C      -8.315174      5.376724      0.505016
  C      -9.144461      4.680907     -0.408470
  C      -8.752307      3.441680     -0.862987
  C      -7.545088      2.885882     -0.382334
  N      -6.735853      3.496960      0.469146
  C      -7.096757      4.736657      0.892168
  C      -6.541790      2.208325      6.422576
  C      -6.998565      3.631643      6.795418
  C      -8.263754      4.006604      6.044348
  O      -7.928329      3.995876      4.632941
  C      -8.949951      3.694454      3.780120
  C     -10.056500      4.505483      3.624411
  C     -11.062056      4.128397      2.706430
  N     -11.033828      3.028680      1.970233
  C      -9.943226      2.221312      2.107939
  C      -9.858281      1.036421      1.336410
  C      -8.752975      0.225162      1.466910
  C      -7.731502      0.599990      2.370255
  N      -7.767382      1.691900      3.118442
  C      -8.854569      2.503450      2.996702
  H      -3.922922     -1.453250      4.682787
  H      -4.574793     -0.221656      3.593272
  H      -1.769956     -1.372379      3.134800
  H      -3.226559     -2.181923      2.553513
  H      -2.169097     -0.675474      0.824825
  H      -2.561670      0.737903      1.851591
  H      -5.641867     -1.499228     -0.658388
  H      -6.298852     -0.535977     -2.865967
  H      -4.487356      3.662502     -3.128654
  H      -3.130772      5.094311     -1.547059
  H      -2.481766      4.149071      0.667433
  H      -2.601056      5.955881      5.130059
  H      -3.763338      5.510251      6.381705
  H      -4.995245      6.467528      4.656015
  H      -5.360167      4.751107      4.520510
  H      -3.208385      4.863946      2.821540
  H      -3.890020      6.492062      2.555355
  H      -5.998201      7.311249      2.871257
  H      -8.182700      8.198519      2.153944
  H     -10.077940      5.149918     -0.722518
  H      -9.366267      2.876531     -1.565234
  H      -7.236772      1.889635     -0.708811
  H      -7.087903      1.465792      7.031756
  H      -6.787250      2.032198      5.366163
  H      -6.206584      4.344154      6.516582
  H      -7.171383      3.743463      7.876481
  H      -8.628914      5.003500      6.338482
  H      -9.067748      3.273672      6.223956
  H     -10.143648      5.437577      4.183543
  H     -11.931268      4.779935      2.574873
  H     -10.673278      0.807855      0.647805
  H      -8.648457     -0.690089      0.882769
  H      -6.839920     -0.027511      2.469415
  N      -4.778269      2.441743      3.782576
  H      -5.265560      2.650474      2.899239
100
Coordinates from ORCA-job orca E -6429.387861636054
  N      -2.949969      0.384560      4.818621
  Mo     -3.787438      2.140348      5.198070
  N      -5.118295      1.983685      6.611181
  C      -4.683597      1.846146      8.002143
  C      -3.334056      1.146625      8.065831
  N      -2.415557      1.751342      7.070841
  C      -1.354359      0.822477      6.625078
  C      -1.959629     -0.220075      5.711372
  C      -1.852840      3.048087      7.509943
  C      -1.607612      3.868389      6.257029
  N      -2.836084      3.872866      5.443145
  H      -1.152083     -0.697765      5.130667
  H      -2.438417     -1.033298      6.290576
  H      -0.614035      1.414872      6.069869
  H      -0.840346      0.358584      7.484155
  H      -1.320494      4.894969      6.528319
  H      -0.766584      3.453517      5.677342
  H      -2.600361      3.553480      8.136183
  H      -0.938856      2.898190      8.110170
  H      -5.424313      1.252815      8.564993
  H      -4.638944      2.838444      8.488777
  H      -3.463889      0.088978      7.800718
  H      -2.903017      1.194900      9.080355
  C      -3.598219     -0.642516      3.984961
  C      -2.736530     -1.148499      2.820030
  C      -2.794981     -0.226650      1.619062
  O      -4.158340     -0.328973      1.116791
  C      -4.483503      0.218743     -0.081520
  C      -5.294972     -0.529930     -0.919605
  C      -5.693751     -0.001535     -2.162852
  N      -5.355023      1.198015     -2.612991
  C      -4.584136      1.963383     -1.787830
  C      -4.243084      3.275252     -2.199474
  C      -3.507874      4.077191     -1.357590
  C      -3.109846      3.562537     -0.102795
  N      -3.389116      2.343488      0.323363
  C      -4.116335      1.537192     -0.499070
  C      -3.388871      5.235249      5.350849
  C      -4.537826      5.475656      4.383964
  C      -4.104330      5.433742      2.918432
  O      -5.067105      4.804603      2.054416
  C      -6.219057      5.441916      1.767008
  C      -6.601622      6.693702      2.221928
  C      -7.847163      7.219083      1.810479
  N      -8.694241      6.624522      0.987278
  C      -8.320264      5.398786      0.512029
  C      -9.159995      4.725424     -0.408628
  C      -8.780426      3.490709     -0.885703
  C      -7.575472      2.917362     -0.420841
  N      -6.758416      3.505209      0.439659
  C      -7.107373      4.739957      0.886408
  C      -6.552609      2.209811      6.434605
  C      -6.989632      3.644132      6.791892
  C      -8.246093      4.035622      6.034561
  O      -7.914028      3.979427      4.623898
  C      -8.940080      3.686755      3.775626
  C     -10.055185      4.489948      3.638422
  C     -11.062090      4.116944      2.720546
  N     -11.029559      3.027682      1.969141
  C      -9.932842      2.226357      2.091453
  C      -9.845395      1.049170      1.308213
  C      -8.737085      0.240525      1.428118
  C      -7.714212      0.611027      2.331471
  N      -7.750733      1.697265      3.087744
  C      -8.841347      2.505647      2.977216
  H      -3.866703     -1.486886      4.645583
  H      -4.536943     -0.243292      3.584427
  H      -1.687826     -1.273264      3.129065
  H      -3.098358     -2.144561      2.521322
  H      -2.106975     -0.557573      0.825189
  H      -2.570067      0.816557      1.874030
  H      -5.601011     -1.532310     -0.618045
  H      -6.317314     -0.611756     -2.824009
  H      -4.589429      3.615338     -3.176685
  H      -3.232843      5.094412     -1.639051
  H      -2.524955      4.192713      0.574205
  H      -2.562943      5.924354      5.093677
  H      -3.721952      5.530223      6.364992
  H      -4.960094      6.458627      4.637501
  H      -5.344403      4.745177      4.535798
  H      -3.213611      4.801082      2.810033
  H      -3.869281      6.438226      2.530152
  H      -5.972329      7.281002      2.887922
  H      -8.148139      8.201678      2.188893
  H     -10.089887      5.208339     -0.711950
  H      -9.401772      2.943404     -1.595553
  H      -7.274631      1.926725     -0.770624
  H      -7.109991      1.480772      7.049352
  H      -6.796100      2.027885      5.378696
  H      -6.183783      4.339611      6.510349
  H      -7.163381      3.769779      7.871286
  H      -8.581472      5.049259      6.305967
  H      -9.070681      3.330924      6.232474
  H     -10.148468      5.413496      4.210436
  H     -11.937127      4.763278      2.602581
  H     -10.662058      0.823714      0.620600
  H      -8.631262     -0.669390      0.835982
  H      -6.821201     -0.014833      2.425039
  N      -4.774962      2.423456      3.807139
  H      -5.277341      2.623906      2.930679
100
Coordinates from ORCA-job orca E -6429.388616949272
  N      -2.976882      0.351589      4.846418
  Mo     -3.827372      2.104189      5.223215
  N      -5.141263      1.965772      6.658479
  C      -4.692121      1.853973      8.047668
  C      -3.342144      1.157259      8.107429
  N      -2.439712      1.742820      7.086643
  C      -1.385495      0.805393      6.640856
  C      -2.002164     -0.247813      5.747033
  C      -1.867372      3.047778      7.497681
  C      -1.631416      3.845641      6.230183
  N      -2.863022      3.838273      5.428427
  H      -1.204371     -0.746090      5.178206
  H      -2.489536     -1.043751      6.333183
  H      -0.655123      1.389501      6.063959
  H      -0.858710      0.355419      7.499001
  H      -1.339197      4.877233      6.483502
  H      -0.797767      3.417520      5.651741
  H      -2.604682      3.567698      8.121338
  H      -0.951175      2.905016      8.089031
  H      -5.426751      1.269675      8.627685
  H      -4.642891      2.855212      8.518101
  H      -3.473363      0.092825      7.867906
  H      -2.897510      1.230545      9.114672
  C      -3.585947     -0.670839      3.986776
  C      -2.686096     -1.121305      2.820350
  C      -2.740523     -0.165255      1.642731
  O      -4.085027     -0.272133      1.118709
  C      -4.415115      0.273647     -0.077465
  C      -5.255305     -0.467345     -0.898918
  C      -5.673458      0.054268     -2.137031
  N      -5.328880      1.240529     -2.598775
  C      -4.528062      1.997819     -1.791336
  C      -4.180157      3.294966     -2.216305
  C      -3.415514      4.091467     -1.392619
  C      -2.994564      3.585763     -0.142901
  N      -3.281312      2.380751      0.295640
  C      -4.036525      1.578397     -0.508645
  C      -3.386341      5.207751      5.288908
  C      -4.542052      5.426705      4.323910
  C      -4.130292      5.334784      2.849545
  O      -5.120931      4.707748      2.009967
  C      -6.262756      5.369583      1.730146
  C      -6.618148      6.624350      2.206866
  C      -7.861469      7.180662      1.819226
  N      -8.732156      6.613640      0.997762
  C      -8.381657      5.390414      0.491787
  C      -9.243155      4.755710     -0.440023
  C      -8.885708      3.526699     -0.957605
  C      -7.681756      2.918278     -0.519571
  N      -6.844437      3.469642      0.350740
  C      -7.171501      4.700323      0.838041
  C      -6.572065      2.208256      6.501396
  C      -6.971833      3.661919      6.830897
  C      -8.222386      4.071090      6.069384
  O      -7.893951      3.956899      4.660270
  C      -8.926182      3.682087      3.816503
  C     -10.049446      4.480253      3.704471
  C     -11.055601      4.120104      2.783578
  N     -11.017764      3.047297      2.008476
  C      -9.916460      2.247787      2.110161
  C      -9.828181      1.080585      1.309907
  C      -8.718791      0.269803      1.415328
  C      -7.696022      0.628141      2.321474
  N      -7.731654      1.706428      3.090791
  C      -8.823886      2.516107      2.994817
  H      -3.848699     -1.538182      4.619713
  H      -4.525698     -0.279870      3.580292
  H      -1.638948     -1.215014      3.144523
  H      -3.008763     -2.120695      2.486819
  H      -2.034119     -0.454900      0.845640
  H      -2.537305      0.868466      1.936429
  H      -5.571093     -1.457794     -0.587624
  H      -6.319911     -0.550257     -2.783659
  H      -4.544647      3.629240     -3.188601
  H      -3.134989      5.097742     -1.684570
  H      -2.389619      4.214418      0.520942
  H      -2.550271      5.872814      4.992467
  H      -3.699469      5.551247      6.298623
  H      -4.948912      6.421392      4.551442
  H      -5.353759      4.710333      4.509988
  H      -3.254281      4.679801      2.741493
  H      -3.879648      6.325809      2.432923
  H      -5.970230      7.189217      2.877202
  H      -8.141709      8.163524      2.219695
  H     -10.169878      5.265030     -0.722545
  H      -9.521806      3.012009     -1.681614
  H      -7.398535      1.929609     -0.902003
  H      -7.134317      1.504958      7.141490
  H      -6.834317      2.003817      5.455055
  H      -6.147683      4.329835      6.528964
  H      -7.135980      3.816165      7.908599
  H      -8.523424      5.104660      6.311321
  H      -9.070558      3.399513      6.293599
  H     -10.153861      5.387951      4.299435
  H     -11.936066      4.763610      2.684388
  H     -10.647384      0.861259      0.624754
  H      -8.613663     -0.634242      0.812223
  H      -6.806241     -0.002664      2.409927
  N      -4.851496      2.355387      3.852960
  H      -5.388449      2.532494      2.993483
100
Coordinates from ORCA-job orca E -6429.389558912556
  N      -2.981622      0.327768      4.876772
  Mo     -3.846619      2.073428      5.257180
  N      -5.155232      1.941534      6.701568
  C      -4.704589      1.841427      8.090674
  C      -3.355954      1.145738      8.152654
  N      -2.459092      1.722693      7.123567
  C      -1.406746      0.780256      6.685521
  C      -2.026120     -0.274525      5.797280
  C      -1.887610      3.031918      7.522694
  C      -1.649213      3.821183      6.249584
  N      -2.878058      3.807947      5.443031
  H      -1.226529     -0.790516      5.244874
  H      -2.531896     -1.059062      6.385656
  H      -0.674316      1.357446      6.103943
  H      -0.882064      0.334174      7.547107
  H      -1.358497      4.854062      6.498916
  H      -0.812476      3.390111      5.677264
  H      -2.626422      3.556948      8.140616
  H      -0.972157      2.894486      8.116979
  H      -5.438376      1.261993      8.676990
  H      -4.653371      2.846528      8.553506
  H      -3.486390      0.078685      7.924394
  H      -2.908447      1.230359      9.157764
  C      -3.548920     -0.690437      3.974516
  C      -2.603394     -1.079328      2.811146
  C      -2.687528     -0.102568      1.650475
  O      -4.025951     -0.279750      1.100408
  C      -4.368866      0.248540     -0.098536
  C      -5.192813     -0.525844     -0.904188
  C      -5.643953     -0.017747     -2.138550
  N      -5.348709      1.189203     -2.611157
  C      -4.559572      1.977051     -1.821466
  C      -4.269581      3.300155     -2.256979
  C      -3.519560      4.128867     -1.451000
  C      -3.052137      3.627518     -0.209295
  N      -3.285655      2.399705      0.239576
  C      -4.031172      1.568644     -0.545362
  C      -3.384169      5.177760      5.266640
  C      -4.547965      5.384662      4.307146
  C      -4.160088      5.272511      2.829820
  O      -5.166022      4.656973      2.000677
  C      -6.294515      5.337589      1.709676
  C      -6.634754      6.594787      2.188016
  C      -7.865571      7.170388      1.796772
  N      -8.738859      6.620646      0.969342
  C      -8.398638      5.401852      0.450729
  C      -9.256456      4.794827     -0.500223
  C      -8.909567      3.572321     -1.035669
  C      -7.721000      2.943176     -0.597095
  N      -6.885189      3.469184      0.288811
  C      -7.201518      4.693005      0.797174
  C      -6.583661      2.202905      6.553056
  C      -6.954276      3.669770      6.862097
  C      -8.187588      4.109586      6.089565
  O      -7.858305      3.960322      4.691959
  C      -8.886159      3.704234      3.844741
  C     -10.012042      4.498309      3.751963
  C     -11.016147      4.149228      2.828235
  N     -10.977900      3.089830      2.035142
  C      -9.876488      2.293368      2.119581
  C      -9.794102      1.134965      1.307409
  C      -8.687035      0.324203      1.398899
  C      -7.659821      0.673905      2.302299
  N      -7.690987      1.744008      3.082289
  C      -8.781547      2.553450      3.001034
  H      -3.803904     -1.585256      4.575988
  H      -4.492751     -0.315576      3.557640
  H      -1.553152     -1.121061      3.151377
  H      -2.869070     -2.092892      2.452546
  H      -1.943559     -0.340677      0.859971
  H      -2.544699      0.945291      1.971064
  H      -5.473613     -1.531714     -0.581942
  H      -6.280044     -0.647051     -2.771280
  H      -4.667934      3.628371     -3.222240
  H      -3.286560      5.158291     -1.750285
  H      -2.458189      4.281228      0.440786
  H      -2.546540      5.824447      4.947615
  H      -3.682862      5.549028      6.267215
  H      -4.946988      6.382369      4.522953
  H      -5.358128      4.676949      4.515319
  H      -3.294827      4.605734      2.716536
  H      -3.902672      6.254828      2.403625
  H      -5.984984      7.146379      2.864713
  H      -8.134828      8.152325      2.202312
  H     -10.170849      5.320071     -0.783725
  H      -9.541751      3.079252     -1.775489
  H      -7.449406      1.958840     -0.993625
  H      -7.155319      1.519314      7.205981
  H      -6.854782      1.987492      5.513913
  H      -6.112846      4.311542      6.559984
  H      -7.121067      3.838320      7.933346
  H      -8.455770      5.154823      6.310104
  H      -9.056312      3.474688      6.319206
  H     -10.126682      5.390441      4.368558
  H     -11.898908      4.789212      2.745127
  H     -10.618499      0.920642      0.626871
  H      -8.587212     -0.573243      0.787242
  H      -6.770998      0.042649      2.381977
  N      -4.894419      2.306220      3.902587
  H      -5.458733      2.468503      3.059319
100
Coordinates from ORCA-job orca E -6429.386509508354
  N      -2.996116      0.331694      4.885101
  Mo     -3.819098      2.087889      5.271012
  N      -5.140597      1.980327      6.705057
  C      -4.701583      1.873015      8.094837
  C      -3.369914      1.144452      8.169084
  N      -2.450179      1.697977      7.147152
  C      -1.419849      0.724177      6.724027
  C      -2.063496     -0.310182      5.828321
  C      -1.853902      2.990900      7.545862
  C      -1.586902      3.780593      6.273443
  N      -2.817517      3.799623      5.454607
  H      -1.256709     -0.856341      5.288226
  H      -2.614467     -1.087655      6.419633
  H      -0.657490      1.275956      6.152640
  H      -0.922681      0.259953      7.593464
  H      -1.275103      4.802663      6.526231
  H      -0.749196      3.334029      5.708894
  H      -2.590310      3.528150      8.160653
  H      -0.938616      2.832313      8.148399
  H      -5.451667      1.310176      8.678749
  H      -4.630585      2.876311      8.554521
  H      -3.522514      0.080608      7.942202
  H      -2.929623      1.219245      9.177685
  C      -3.566412     -0.649020      3.964117
  C      -2.647574     -1.015161      2.817278
  C      -2.734626     -0.047690      1.663157
  O      -4.046096     -0.218892      1.095371
  C      -4.375389      0.295708     -0.104703
  C      -5.192345     -0.482864     -0.900075
  C      -5.640508      0.014468     -2.131907
  N      -5.352746      1.221066     -2.610324
  C      -4.564648      2.009775     -1.833822
  C      -4.283516      3.332033     -2.276789
  C      -3.538124      4.164292     -1.484095
  C      -3.064450      3.666714     -0.248422
  N      -3.286925      2.437458      0.207428
  C      -4.031659      1.605134     -0.562887
  C      -3.292213      5.172042      5.256482
  C      -4.470508      5.405040      4.314412
  C      -4.120199      5.281371      2.837480
  O      -5.150908      4.688583      2.023382
  C      -6.275313      5.366035      1.732690
  C      -6.619936      6.618591      2.192460
  C      -7.850055      7.171136      1.804287
  N      -8.720752      6.603238      0.997768
  C      -8.372466      5.393801      0.491373
  C      -9.222363      4.772313     -0.444649
  C      -8.867885      3.560848     -0.964964
  C      -7.681395      2.959866     -0.528150
  N      -6.850432      3.499706      0.340009
  C      -7.174807      4.710811      0.835486
  C      -6.568153      2.257652      6.541953
  C      -6.941211      3.736356      6.797279
  C      -8.166541      4.150938      6.001094
  O      -7.874189      3.946513      4.597291
  C      -8.920007      3.651558      3.775253
  C     -10.073820      4.409747      3.702203
  C     -11.110999      4.016067      2.817919
  N     -11.080847      2.946168      2.044577
  C      -9.950871      2.185858      2.106440
  C      -9.876332      1.017198      1.316227
  C      -8.737407      0.242532      1.379995
  C      -7.672655      0.636052      2.234918
  N      -7.701341      1.715367      2.996029
  C      -8.819001      2.492751      2.942887
  H      -3.818377     -1.551529      4.543026
  H      -4.504350     -0.260356      3.549115
  H      -1.624308     -1.066674      3.171740
  H      -2.908481     -1.992391      2.457065
  H      -2.010263     -0.278957      0.894096
  H      -2.592737      0.975270      1.980137
  H      -5.470091     -1.486513     -0.570309
  H      -6.273034     -0.616722     -2.756736
  H      -4.686621      3.654921     -3.237076
  H      -3.315234      5.195477     -1.787653
  H      -2.476265      4.322142      0.395092
  H      -2.444219      5.787964      4.933840
  H      -3.575485      5.554224      6.240343
  H      -4.846926      6.414956      4.532580
  H      -5.293003      4.718586      4.542131
  H      -3.273907      4.596957      2.705165
  H      -3.851042      6.253282      2.410987
  H      -5.975724      7.183324      2.851946
  H      -8.124308      8.146052      2.196401
  H     -10.135033      5.277351     -0.728937
  H      -9.491787      3.055059     -1.692682
  H      -7.410564      1.986312     -0.909851
  H      -7.146751      1.595926      7.214176
  H      -6.831662      2.013917      5.503676
  H      -6.102598      4.372183      6.483584
  H      -7.112970      3.934041      7.868733
  H      -8.414571      5.202546      6.181572
  H      -9.035757      3.535125      6.263846
  H     -10.193938      5.302763      4.314595
  H     -12.018101      4.625504      2.756487
  H     -10.732849      0.768239      0.673785
  H      -8.641822     -0.658704      0.781882
  H      -6.751922      0.038344      2.288598
  N      -4.878711      2.346749      3.936675
  H      -5.479679      2.513736      3.119213
100
Coordinates from ORCA-job orca E -6429.388430898843
  N      -2.979338      0.326237      4.906592
  Mo     -3.841547      2.073593      5.284287
  N      -5.157934      1.956735      6.723213
  C      -4.713139      1.866957      8.115598
  C      -3.368939      1.162774      8.190709
  N      -2.462255      1.723764      7.159809
  C      -1.417170      0.768747      6.735336
  C      -2.038854     -0.282357      5.845775
  C      -1.883617      3.031502      7.547489
  C      -1.634879      3.806078      6.265547
  N      -2.860667      3.798987      5.450119
  H      -1.235863     -0.808840      5.306764
  H      -2.559925     -1.056712      6.433377
  H      -0.673896      1.334744      6.158010
  H      -0.905104      0.320687      7.603421
  H      -1.336806      4.838281      6.504370
  H      -0.796313      3.362811      5.703289
  H      -2.622143      3.565780      8.159453
  H      -0.968305      2.893253      8.145934
  H      -5.451976      1.297938      8.705038
  H      -4.657285      2.875360      8.568533
  H      -3.504723      0.095127      7.972464
  H      -2.925486      1.253059      9.197917
  C      -3.528617     -0.688247      3.979064
  C      -2.568123     -1.046640      2.809456
  C      -2.679339     -0.053376      1.659623
  O      -4.022621     -0.255376      1.112396
  C      -4.381828      0.265675     -0.088031
  C      -5.223191     -0.507955     -0.880145
  C      -5.693282     -0.004133     -2.111023
  N      -5.400671      1.194899     -2.592703
  C      -4.589762      1.976812     -1.820360
  C      -4.293173      3.284502     -2.267758
  C      -3.517622      4.106630     -1.478109
  C      -3.032899      3.613038     -0.241167
  N      -3.269482      2.400261      0.216819
  C      -4.039982      1.575136     -0.550672
  C      -3.342340      5.179021      5.233661
  C      -4.507826      5.384144      4.277772
  C      -4.129363      5.232467      2.798154
  O      -5.155093      4.620388      1.989998
  C      -6.272156      5.332264      1.716735
  C      -6.571046      6.597334      2.221863
  C      -7.802741      7.211964      1.868763
  N      -8.714498      6.689755      1.052827
  C      -8.411783      5.466606      0.500029
  C      -9.310685      4.894032     -0.447423
  C      -9.001462      3.668481     -1.022014
  C      -7.805909      3.001824     -0.624707
  N      -6.933890      3.495566      0.258034
  C      -7.214952      4.721258      0.805577
  C      -6.586935      2.215519      6.561601
  C      -6.962669      3.689760      6.827444
  C      -8.193392      4.115972      6.040197
  O      -7.867817      3.918000      4.640362
  C      -8.896444      3.645639      3.797511
  C     -10.037426      4.421689      3.713083
  C     -11.045105      4.055376      2.799029
  N     -10.995452      2.993921      2.005815
  C      -9.876647      2.214896      2.080772
  C      -9.778624      1.053442      1.269776
  C      -8.654203      0.260973      1.349918
  C      -7.626081      0.630649      2.240772
  N      -7.672299      1.703763      3.020322
  C      -8.778831      2.495815      2.950707
  H      -3.769648     -1.599958      4.563286
  H      -4.476967     -0.320603      3.568070
  H      -1.508458     -1.070438      3.150348
  H      -2.813019     -2.075908      2.437293
  H      -1.922258     -0.269190      0.863648
  H      -2.557968      1.005504      1.989322
  H      -5.502499     -1.507765     -0.549049
  H      -6.344077     -0.631668     -2.732050
  H      -4.704000      3.607100     -3.228718
  H      -3.279426      5.122437     -1.786276
  H      -2.420197      4.261525      0.396959
  H      -2.487925      5.804607      4.892396
  H      -3.635744      5.589121      6.230886
  H      -4.890731      6.397359      4.474693
  H      -5.332907      4.692445      4.511291
  H      -3.277487      4.546990      2.685745
  H      -3.855636      6.206365      2.349603
  H      -5.888215      7.124724      2.894972
  H      -8.039818      8.198983      2.299599
  H     -10.225297      5.448437     -0.700331
  H      -9.665486      3.203458     -1.762962
  H      -7.561774      2.014791     -1.052530
  H      -7.158330      1.550181      7.233142
  H      -6.853268      1.969615      5.523648
  H      -6.119476      4.326957      6.514910
  H      -7.133626      3.881919      7.896605
  H      -8.443526      5.177997      6.229662
  H      -9.077030      3.498271      6.295732
  H     -10.164174      5.310205      4.335909
  H     -11.940402      4.680575      2.725411
  H     -10.604572      0.824046      0.600413
  H      -8.542336     -0.637853      0.737320
  H      -6.721945      0.018575      2.310068
  N      -4.898398      2.301238      3.935145
  H      -5.489782      2.449843      3.102324
100
Coordinates from ORCA-job orca E -6429.387541872113
  N      -3.022721      0.311914      4.894209
  Mo     -3.897649      2.050319      5.295675
  N      -5.178079      1.928148      6.762725
  C      -4.700024      1.840174      8.141656
  C      -3.355037      1.144868      8.187033
  N      -2.476701      1.708171      7.140375
  C      -1.439849      0.761528      6.690192
  C      -2.074870     -0.286447      5.803448
  C      -1.894801      3.017702      7.512723
  C      -1.679454      3.786358      6.232485
  N      -2.915678      3.770337      5.439500
  H      -1.294739     -0.801309      5.250501
  H      -2.576661     -1.060865      6.382323
  H      -0.712252      1.332350      6.102751
  H      -0.907423      0.313232      7.543878
  H      -1.379067      4.816751      6.466100
  H      -0.856099      3.347794      5.658065
  H      -2.615204      3.547007      8.138453
  H      -0.967831      2.889897      8.087723
  H      -5.421373      1.270144      8.745285
  H      -4.634641      2.846099      8.594409
  H      -3.490364      0.078687      7.971359
  H      -2.890911      1.238983      9.183687
  C      -3.536588     -0.696208      3.960188
  C      -2.566202     -1.001770      2.796021
  C      -2.693530      0.002952      1.663825
  O      -4.013357     -0.215285      1.089093
  C      -4.355309      0.310944     -0.107512
  C      -5.174575     -0.466045     -0.907635
  C      -5.615984      0.026042     -2.137456
  N      -5.311021      1.216142     -2.613942
  C      -4.521873      2.003518     -1.835047
  C      -4.209818      3.300568     -2.278690
  C      -3.454640      4.128556     -1.484575
  C      -3.005066      3.652186     -0.247399
  N      -3.255090      2.446892      0.207469
  C      -4.006772      1.616000     -0.563362
  C      -3.380242      5.136446      5.206647
  C      -4.559334      5.341707      4.263817
  C      -4.205228      5.187900      2.791044
  O      -5.226879      4.588664      1.985707
  C      -6.335276      5.287179      1.676952
  C      -6.664483      6.548008      2.141348
  C      -7.883732      7.128980      1.749555
  N      -8.755672      6.580784      0.932587
  C      -8.419562      5.365457      0.415753
  C      -9.271322      4.765995     -0.532518
  C      -8.924962      3.553218     -1.071281
  C      -7.741118      2.927288     -0.641705
  N      -6.913783      3.444771      0.243594
  C      -7.232848      4.655682      0.760155
  C      -6.605559      2.199048      6.633217
  C      -6.944672      3.670944      6.907300
  C      -8.161903      4.136359      6.122544
  O      -7.838843      3.920980      4.743621
  C      -8.861843      3.697411      3.895055
  C      -9.972673      4.497991      3.818276
  C     -10.964907      4.174412      2.889235
  N     -10.932051      3.131258      2.076826
  C      -9.846927      2.327247      2.145880
  C      -9.771482      1.178421      1.318552
  C      -8.685830      0.355266      1.394872
  C      -7.665218      0.686883      2.294850
  N      -7.688088      1.748125      3.087852
  C      -8.762874      2.565820      3.026097
  H      -3.746230     -1.622503      4.519575
  H      -4.495509     -0.347729      3.560705
  H      -1.518640     -0.996526      3.149697
  H      -2.771404     -2.019970      2.406537
  H      -1.930977     -0.175496      0.880843
  H      -2.601397      1.045788      2.013402
  H      -5.456928     -1.463219     -0.583151
  H      -6.247477     -0.606199     -2.765206
  H      -4.592884      3.608686     -3.241175
  H      -3.205476      5.136720     -1.789401
  H      -2.408918      4.305007      0.396604
  H      -2.529229      5.738945      4.849165
  H      -3.647453      5.559445      6.191604
  H      -4.934539      6.348927      4.457669
  H      -5.376684      4.661999      4.509284
  H      -3.362876      4.498546      2.680308
  H      -3.931913      6.150585      2.339625
  H      -6.015546      7.097510      2.810522
  H      -8.144910      8.110808      2.147780
  H     -10.178484      5.291354     -0.814454
  H      -9.549950      3.068927     -1.811261
  H      -7.466455      1.954040     -1.047715
  H      -7.172057      1.544519      7.306646
  H      -6.898796      1.959740      5.608372
  H      -6.083325      4.280519      6.603163
  H      -7.109666      3.862834      7.969923
  H      -8.376744      5.196479      6.304009
  H      -9.060599      3.560674      6.369308
  H     -10.086788      5.372704      4.454724
  H     -11.833173      4.822079      2.818927
  H     -10.586597      0.980746      0.638964
  H      -8.594198     -0.536030      0.770377
  H      -6.786550      0.051448      2.361862
  N      -5.010216      2.262705      3.990956
  H      -5.657677      2.393500      3.193942
100
Coordinates from ORCA-job orca E -6429.388539584882
  N      -3.012378      0.300449      4.915931
  Mo     -3.847559      2.050388      5.298861
  N      -5.157154      1.962624      6.753276
  C      -4.709287      1.877619      8.142293
  C      -3.376679      1.145156      8.213764
  N      -2.466820      1.680756      7.171153
  C      -1.438559      0.702059      6.746639
  C      -2.085053     -0.336990      5.857933
  C      -1.864254      2.982677      7.543017
  C      -1.603476      3.755559      6.255271
  N      -2.838420      3.764427      5.446809
  H      -1.287923     -0.887755      5.318199
  H      -2.635006     -1.106644      6.449825
  H      -0.681426      1.250823      6.166120
  H      -0.934319      0.245056      7.615667
  H      -1.289245      4.785506      6.492215
  H      -0.770395      3.299070      5.687139
  H      -2.595110      3.534378      8.156821
  H      -0.945397      2.832297      8.139923
  H      -5.458813      1.326922      8.742066
  H      -4.631544      2.890287      8.585980
  H      -3.535302      0.077120      8.005356
  H      -2.923858      1.235435      9.214596
  C      -3.540542     -0.680710      3.965893
  C      -2.579400     -0.984696      2.824626
  C      -2.683323      0.009718      1.694734
  O      -3.983154     -0.199792      1.115844
  C      -4.334427      0.319407     -0.086373
  C      -5.162001     -0.471643     -0.866696
  C      -5.632391      0.013250     -2.097757
  N      -5.350283      1.215931     -2.593061
  C      -4.551082      2.019611     -1.834790
  C      -4.269640      3.336916     -2.299058
  C      -3.508089      4.182069     -1.528322
  C      -3.018177      3.704655     -0.293175
  N      -3.241072      2.480266      0.182384
  C      -4.001318      1.633472     -0.564798
  C      -3.292381      5.143197      5.201979
  C      -4.475825      5.360385      4.267658
  C      -4.136115      5.192026      2.783013
  O      -5.196931      4.608956      1.991922
  C      -6.304906      5.318408      1.705842
  C      -6.624795      6.571706      2.181278
  C      -7.851275      7.148310      1.814932
  N      -8.740397      6.604126      1.013019
  C      -8.411386      5.399253      0.484752
  C      -9.280009      4.803969     -0.449604
  C      -8.939188      3.604491     -1.001412
  C      -7.745038      2.988702     -0.598360
  N      -6.903929      3.498955      0.273734
  C      -7.217878      4.696118      0.802486
  C      -6.586695      2.261796      6.599300
  C      -6.928335      3.755956      6.825476
  C      -8.142822      4.180928      6.017380
  O      -7.854883      3.923773      4.614005
  C      -8.915444      3.649871      3.797872
  C     -10.086605      4.398527      3.756826
  C     -11.133144      4.015623      2.870887
  N     -11.096820      2.965023      2.069784
  C      -9.950243      2.214489      2.102317
  C      -9.866086      1.061227      1.287522
  C      -8.711588      0.292125      1.325422
  C      -7.636890      0.683436      2.174446
  N      -7.672381      1.750134      2.954399
  C      -8.808525      2.514781      2.933715
  H      -3.773154     -1.601862      4.520419
  H      -4.485116     -0.315184      3.542925
  H      -1.557859     -0.995339      3.193653
  H      -2.788996     -1.967795      2.435064
  H      -1.940309     -0.170713      0.930813
  H      -2.583735      1.026250      2.036652
  H      -5.431706     -1.476450     -0.521942
  H      -6.272095     -0.629602     -2.708421
  H      -4.685550      3.642625     -3.259018
  H      -3.282415      5.206925     -1.849668
  H      -2.414535      4.366560      0.334121
  H      -2.430377      5.734464      4.836988
  H      -3.559992      5.577978      6.181621
  H      -4.834251      6.385688      4.467888
  H      -5.311270      4.686436      4.525087
  H      -3.306946      4.479022      2.650262
  H      -3.842311      6.153956      2.330253
  H      -5.966430      7.118378      2.841904
  H      -8.106474      8.123099      2.222428
  H     -10.194045      5.323390     -0.711115
  H      -9.575159      3.121042     -1.734344
  H      -7.474080      2.028218     -1.016267
  H      -7.169726      1.623079      7.292386
  H      -6.868118      2.001210      5.573961
  H      -6.069108      4.365235      6.500761
  H      -7.102519      3.984760      7.894263
  H      -8.357839      5.246665      6.169373
  H      -9.031215      3.598658      6.299010
  H     -10.212112      5.273947      4.392576
  H     -12.050980      4.619965      2.832180
  H     -10.726864      0.816095      0.646619
  H      -8.609321     -0.598603      0.709891
  H      -6.703941      0.093693      2.209102
  N      -4.935934      2.273791      3.987308
  H      -5.580963      2.408593      3.197865
100
Coordinates from ORCA-job orca E -6429.389386754308
  N      -2.979698      0.295889      4.960385
  Mo     -3.837001      2.042747      5.327906
  N      -5.143992      1.951435      6.780553
  C      -4.695907      1.892542      8.173188
  C      -3.356588      1.181555      8.256617
  N      -2.454974      1.712718      7.206631
  C      -1.420026      0.736161      6.800958
  C      -2.053826     -0.321955      5.926515
  C      -1.869936      3.026093      7.564342
  C      -1.630905      3.783187      6.268386
  N      -2.858951      3.760815      5.454338
  H      -1.245524     -0.884537      5.401866
  H      -2.603155     -1.080038      6.532865
  H      -0.664558      1.280022      6.213675
  H      -0.917445      0.296498      7.680527
  H      -1.335972      4.816259      6.495055
  H      -0.792238      3.335449      5.708757
  H      -2.603849      3.572827      8.173964
  H      -0.948501      2.897726      8.160998
  H      -5.433519      1.340221      8.780158
  H      -4.633825      2.910353      8.603217
  H      -3.499047      0.110176      8.063848
  H      -2.907303      1.292715      9.258570
  C      -3.495587     -0.692157      4.004609
  C      -2.532387     -0.984529      2.853328
  C      -2.669069      0.028093      1.731616
  O      -3.983693     -0.192858      1.167083
  C      -4.364882      0.316711     -0.033105
  C      -5.228798     -0.465575     -0.790157
  C      -5.739645      0.019973     -2.018616
  N      -5.467741      1.212991     -2.530793
  C      -4.632670      2.003717     -1.796815
  C      -4.368186      3.311815     -2.278689
  C      -3.573059      4.147527     -1.530916
  C      -3.031695      3.665974     -0.300351
  N      -3.239640      2.452887      0.191257
  C      -4.034049      1.616652     -0.533579
  C      -3.330910      5.113135      5.178804
  C      -4.492359      5.288990      4.217883
  C      -4.144210      5.131689      2.750374
  O      -5.188337      4.545211      1.954181
  C      -6.282726      5.292215      1.685059
  C      -6.538225      6.556843      2.214540
  C      -7.756175      7.213357      1.892064
  N      -8.697724      6.731162      1.082608
  C      -8.434237      5.515640      0.495889
  C      -9.366330      4.993868     -0.450499
  C      -9.099832      3.780033     -1.067637
  C      -7.911580      3.075564     -0.714610
  N      -7.008397      3.519489      0.166293
  C      -7.249947      4.731877      0.762234
  C      -6.569841      2.221069      6.620524
  C      -6.940539      3.705965      6.816456
  C      -8.138649      4.123064      5.977381
  O      -7.822654      3.859958      4.587203
  C      -8.858223      3.594979      3.750458
  C     -10.015620      4.350568      3.698215
  C     -11.035166      3.985544      2.790859
  N     -10.987177      2.943055      1.978408
  C      -9.854246      2.184555      2.020238
  C      -9.762145      1.038795      1.193602
  C      -8.625436      0.262390      1.241117
  C      -7.573105      0.638638      2.109740
  N      -7.616644      1.698318      2.901498
  C      -8.737730      2.470300      2.872696
  H      -3.716463     -1.621292      4.555174
  H      -4.445159     -0.331012      3.589481
  H      -1.496271     -0.985138      3.210669
  H      -2.734233     -1.985045      2.460654
  H      -1.915445     -0.134051      0.951054
  H      -2.583325      1.061709      2.083844
  H      -5.497441     -1.457937     -0.430845
  H      -6.409770     -0.614712     -2.609671
  H      -4.824946      3.622968     -3.232983
  H      -3.361573      5.166345     -1.865412
  H      -2.401836      4.322359      0.307303
  H      -2.493991      5.709069      4.826291
  H      -3.611812      5.544724      6.141607
  H      -4.883201      6.282822      4.391775
  H      -5.287490      4.607296      4.463216
  H      -3.303636      4.445086      2.632700
  H      -3.878712      6.091082      2.302316
  H      -5.831369      7.053336      2.888067
  H      -7.958080      8.199089      2.345312
  H     -10.271365      5.579062     -0.670035
  H      -9.789142      3.353530     -1.811964
  H      -7.701537      2.098699     -1.179178
  H      -7.136019      1.587940      7.326493
  H      -6.846954      1.931780      5.594350
  H      -6.091540      4.319006      6.509317
  H      -7.135898      3.933183      7.872296
  H      -8.362762      5.192786      6.109241
  H      -9.028841      3.542809      6.249741
  H     -10.151702      5.218693      4.343584
  H     -11.939554      4.597471      2.742435
  H     -10.607527      0.803832      0.540270
  H      -8.521300     -0.624018      0.618269
  H      -6.654163      0.044428      2.153609
  N      -4.935540      2.230282      4.010313
  H      -5.594228      2.333606      3.220439
100
Coordinates from ORCA-job orca E -6429.390911328756
  N      -3.019063      0.286520      4.951825
  Mo     -3.886980      2.027722      5.340579
  N      -5.167270      1.935712      6.817496
  C      -4.692144      1.878549      8.199929
  C      -3.350992      1.169411      8.257837
  N      -2.468152      1.700195      7.192103
  C      -1.439872      0.729288      6.763808
  C      -2.084233     -0.325238      5.892455
  C      -1.871360      3.013368      7.534655
  C      -1.647557      3.763482      6.234188
  N      -2.888817      3.749195      5.446173
  H      -1.291714     -0.871313      5.356144
  H      -2.616889     -1.086773      6.490047
  H      -0.698651      1.280077      6.168108
  H      -0.919598      0.288005      7.630077
  H      -1.340103      4.799039      6.449259
  H      -0.823334      3.306914      5.662478
  H      -2.589028      3.564060      8.154321
  H      -0.943004      2.882421      8.111316
  H      -5.419462      1.327236      8.819007
  H      -4.620173      2.896701      8.628503
  H      -3.497738      0.097661      8.067471
  H      -2.881364      1.281754      9.250625
  C      -3.518428     -0.711817      3.978699
  C      -2.528391     -0.959474      2.805972
  C      -2.689734      0.077231      1.698165
  O      -4.012339     -0.183199      1.119983
  C      -4.367697      0.336669     -0.075394
  C      -5.217426     -0.432283     -0.853933
  C      -5.687068      0.066145     -2.076185
  N      -5.385357      1.256794     -2.563497
  C      -4.561089      2.032466     -1.807045
  C      -4.251095      3.331100     -2.261892
  C      -3.457482      4.147515     -1.490941
  C      -2.966632      3.655752     -0.266131
  N      -3.217730      2.451367      0.199880
  C      -4.008365      1.634203     -0.547412
  C      -3.332716      5.134346      5.164472
  C      -4.526059      5.324513      4.233834
  C      -4.188276      5.106024      2.742536
  O      -5.255747      4.514488      1.964419
  C      -6.343513      5.259769      1.670439
  C      -6.618927      6.530117      2.164577
  C      -7.831208      7.163319      1.806883
  N      -8.746401      6.656029      0.994299
  C      -8.459823      5.436426      0.439948
  C      -9.357660      4.884709     -0.510456
  C      -9.059410      3.671422     -1.097841
  C      -7.874036      2.997892     -0.713865
  N      -7.007414      3.467819      0.176048
  C      -7.280943      4.677537      0.744345
  C      -6.595210      2.211030      6.679637
  C      -6.933161      3.712521      6.874532
  C      -8.133044      4.152836      6.050924
  O      -7.808055      3.856053      4.659991
  C      -8.838228      3.616297      3.818421
  C      -9.971364      4.394992      3.765651
  C     -10.983015      4.059530      2.850523
  N     -10.950340      3.022269      2.030139
  C      -9.842156      2.239594      2.073690
  C      -9.769283      1.096713      1.239046
  C      -8.661768      0.293882      1.288408
  C      -7.615365      0.642382      2.163010
  N      -7.636578      1.699957      2.961102
  C      -8.734451      2.495500      2.933630
  H      -3.719216     -1.663694      4.517322
  H      -4.476874     -0.369235      3.574622
  H      -1.477103     -0.926048      3.163642
  H      -2.697322     -1.984630      2.387282
  H      -1.903174     -0.048225      0.905942
  H      -2.641230      1.131335      2.080214
  H      -5.506252     -1.424088     -0.515709
  H      -6.347316     -0.557455     -2.685497
  H      -4.667429      3.650535     -3.213694
  H      -3.209015      5.157693     -1.804965
  H      -2.335779      4.296636      0.357392
  H      -2.456733      5.714163      4.762905
  H      -3.588299      5.616496      6.149154
  H      -4.879574      6.365062      4.409182
  H      -5.373750      4.655902      4.523672
  H      -3.366749      4.377813      2.627464
  H      -3.878261      6.060124      2.260522
  H      -5.934993      7.046799      2.836468
  H      -8.050732      8.150902      2.232726
  H     -10.259991      5.448006     -0.758081
  H      -9.720393      3.224300     -1.842890
  H      -7.632813      2.026382     -1.160594
  H      -7.163830      1.587599      7.398480
  H      -6.887954      1.915343      5.659291
  H      -6.061230      4.310476      6.546404
  H      -7.115666      3.958250      7.936894
  H      -8.322550      5.244169      6.178643
  H      -9.053329      3.596744      6.338646
  H     -10.093055      5.260895      4.415374
  H     -11.870012      4.690859      2.801811
  H     -10.605689      0.886959      0.577501
  H      -8.572803     -0.592661      0.659079
  H      -6.717402      0.026894      2.204692
  N      -5.019839      2.215339      4.049590
  H      -5.701993      2.312076      3.272997
100
Coordinates from ORCA-job orca E -6429.392156755765
  N      -3.036291      0.268992      4.951105
  Mo     -3.906219      2.007726      5.338087
  N      -5.176541      1.928715      6.826625
  C      -4.691652      1.877286      8.204202
  C      -3.350937      1.164313      8.255905
  N      -2.476258      1.686764      7.180752
  C      -1.451487      0.716042      6.746871
  C      -2.101832     -0.337806      5.878467
  C      -1.874978      3.000789      7.508693
  C      -1.659397      3.743513      6.201827
  N      -2.907136      3.727045      5.423075
  H      -1.324071     -0.877174      5.337252
  H      -2.624887     -1.094729      6.472260
  H      -0.717251      1.266393      6.145842
  H      -0.923986      0.275681      7.608243
  H      -1.349300      4.780245      6.410106
  H      -0.839601      3.283064      5.626974
  H      -2.586189      3.556055      8.131586
  H      -0.940525      2.872805      8.076310
  H      -5.417597      1.333708      8.832448
  H      -4.610479      2.897925      8.625450
  H      -3.501502      0.092132      8.074232
  H      -2.873475      1.282094      9.242971
  C      -3.505722     -0.724375      3.994728
  C      -2.499391     -0.947119      2.852644
  C      -2.664225      0.064587      1.740417
  O      -3.956733     -0.212492      1.131542
  C      -4.306726      0.285892     -0.072494
  C      -5.132569     -0.517542     -0.842588
  C      -5.606965     -0.047545     -2.067234
  N      -5.331528      1.148866     -2.566244
  C      -4.530309      1.959869     -1.820363
  C      -4.251503      3.268240     -2.286364
  C      -3.481964      4.120130     -1.525936
  C      -2.983753      3.656125     -0.301816
  N      -3.207361      2.444263      0.174915
  C      -3.974194      1.590828     -0.559922
  C      -3.343441      5.092230      5.136032
  C      -4.543441      5.285090      4.213841
  C      -4.223903      5.085731      2.734052
  O      -5.294743      4.529368      1.949379
  C      -6.384735      5.266060      1.662855
  C      -6.690978      6.510482      2.181044
  C      -7.910764      7.122332      1.837520
  N      -8.806995      6.620776      1.017968
  C      -8.485657      5.432802      0.434007
  C      -9.356188      4.895888     -0.534109
  C      -9.018982      3.719325     -1.155021
  C      -7.825419      3.064808     -0.785004
  N      -6.985126      3.520928      0.119875
  C      -7.296110      4.696730      0.719448
  C      -6.603478      2.216478      6.696595
  C      -6.917578      3.709001      6.894384
  C      -8.116083      4.168779      6.077625
  O      -7.815899      3.896271      4.710913
  C      -8.854473      3.678498      3.870098
  C     -10.034943      4.421742      3.871018
  C     -11.067797      4.083448      2.969001
  N     -11.013672      3.073601      2.114788
  C      -9.855555      2.327730      2.102529
  C      -9.757253      1.205893      1.236302
  C      -8.593283      0.438976      1.225864
  C      -7.523834      0.803922      2.075058
  N      -7.571920      1.840797      2.904658
  C      -8.721604      2.596545      2.937995
  H      -3.680505     -1.665743      4.526785
  H      -4.471655     -0.405688      3.583184
  H      -1.464926     -0.885062      3.242557
  H      -2.630126     -1.958272      2.431063
  H      -1.883828     -0.048584      0.977863
  H      -2.636178      1.093696      2.114905
  H      -5.399536     -1.516741     -0.492570
  H      -6.247507     -0.698301     -2.668969
  H      -4.673593      3.565405     -3.237068
  H      -3.259552      5.138066     -1.848510
  H      -2.375047      4.324676      0.317126
  H      -2.476431      5.655261      4.734142
  H      -3.584251      5.571431      6.103824
  H      -4.899262      6.310061      4.392624
  H      -5.375077      4.622315      4.498405
  H      -3.412548      4.354496      2.607654
  H      -3.914396      6.032820      2.267756
  H      -6.028618      7.021891      2.864133
  H      -8.155440      8.086360      2.284121
  H     -10.266409      5.443498     -0.770443
  H      -9.654112      3.287483     -1.919345
  H      -7.552020      2.120898     -1.261777
  H      -7.171578      1.604646      7.410719
  H      -6.907531      1.929821      5.690579
  H      -6.038323      4.289689      6.576680
  H      -7.092445      3.947599      7.948769
  H      -8.290628      5.229771      6.215257
  H      -9.029960      3.638999      6.342368
  H     -10.184719      5.254291      4.559793
  H     -11.996827      4.683424      2.967532
  H     -10.616323      0.981377      0.598428
  H      -8.481008     -0.430853      0.569854
  H      -6.585776      0.219586      2.072728
  N      -5.067748      2.180204      4.080708
  H      -5.796563      2.252075      3.343337
100
Coordinates from ORCA-job orca E -6429.393437699327
  N      -3.036525      0.258908      4.989719
  Mo     -3.885988      2.002761      5.375995
  N      -5.156879      1.943907      6.867437
  C      -4.679727      1.904793      8.248814
  C      -3.348410      1.173738      8.309566
  N      -2.467742      1.674946      7.227283
  C      -1.452929      0.683499      6.806093
  C      -2.113809     -0.366831      5.939822
  C      -1.855953      2.987463      7.546010
  C      -1.628918      3.722961      6.231837
  N      -2.876691      3.711977      5.445929
  H      -1.327972     -0.929798      5.408015
  H      -2.664536     -1.115642      6.542619
  H      -0.703351      1.217242      6.204334
  H      -0.938667      0.240794      7.676428
  H      -1.313213      4.757659      6.436298
  H      -0.808365      3.252837      5.660732
  H      -2.568982      3.556184      8.162130
  H      -0.922483      2.854631      8.122969
  H      -5.414131      1.375819      8.883131
  H      -4.589256      2.930532      8.657836
  H      -3.513152      0.100978      8.138724
  H      -2.868988      1.294934      9.295136
  C      -3.512511     -0.711808      3.997714
  C      -2.524885     -0.912219      2.853810
  C      -2.680305      0.122875      1.764204
  O      -3.958009     -0.127092      1.168003
  C      -4.330353      0.381337     -0.035623
  C      -5.177353     -0.416259     -0.791989
  C      -5.686021      0.058054     -2.020834
  N      -5.425814      1.255356     -2.537007
  C      -4.606404      2.062319     -1.806401
  C      -4.351749      3.373800     -2.292594
  C      -3.566800      4.221639     -1.552729
  C      -3.025056      3.751354     -0.325212
  N      -3.225636      2.536023      0.172046
  C      -4.009947      1.686286     -0.543605
  C      -3.312331      5.069544      5.129395
  C      -4.501229      5.252755      4.198266
  C      -4.192694      5.045912      2.722498
  O      -5.277220      4.494819      1.951240
  C      -6.350362      5.256483      1.661805
  C      -6.615270      6.517135      2.162993
  C      -7.818586      7.156646      1.816601
  N      -8.737241      6.665823      1.009381
  C      -8.458650      5.460319      0.445110
  C      -9.360232      4.927363     -0.500470
  C      -9.070683      3.733213     -1.099389
  C      -7.891842      3.062011     -0.733130
  N      -7.022390      3.510519      0.151447
  C      -7.288155      4.699489      0.733384
  C      -6.583822      2.245879      6.724109
  C      -6.899626      3.759289      6.849732
  C      -8.078134      4.181231      5.988277
  O      -7.768267      3.811214      4.605476
  C      -8.812618      3.573057      3.771471
  C      -9.959268      4.332739      3.741409
  C     -10.987507      3.989681      2.835744
  N     -10.960180      2.962580      2.006247
  C      -9.839011      2.201361      2.026584
  C      -9.770132      1.067897      1.185947
  C      -8.646766      0.284532      1.207867
  C      -7.575790      0.648557      2.055650
  N      -7.596468      1.698676      2.856924
  C      -8.711993      2.469595      2.867275
  H      -3.701563     -1.669828      4.507663
  H      -4.469196     -0.371887      3.581918
  H      -1.509767     -0.874634      3.234064
  H      -2.666615     -1.892110      2.422970
  H      -1.925390      0.021163      1.002885
  H      -2.638822      1.125951      2.143453
  H      -5.434905     -1.415031     -0.426776
  H      -6.343259     -0.589167     -2.609316
  H      -4.808814      3.674774     -3.244437
  H      -3.362545      5.241240     -1.891948
  H      -2.401596      4.414377      0.278960
  H      -2.460060      5.622076      4.728238
  H      -3.554526      5.551862      6.080269
  H      -4.855420      6.270463      4.362756
  H      -5.317176      4.598898      4.484318
  H      -3.389146      4.311073      2.592696
  H      -3.881072      5.985746      2.252119
  H      -5.930609      7.022456      2.834263
  H      -8.029377      8.135690      2.248645
  H     -10.257810      5.491783     -0.734677
  H      -9.732938      3.297969     -1.844264
  H      -7.659016      2.108255     -1.192118
  H      -7.160281      1.661059      7.467577
  H      -6.882262      1.920770      5.720255
  H      -6.019038      4.327734      6.507794
  H      -7.090335      4.051881      7.900877
  H      -8.235866      5.276095      6.061134
  H      -9.004327      3.664023      6.296000
  H     -10.081604      5.187397      4.403093
  H     -11.881137      4.606690      2.804145
  H     -10.622970      0.848970      0.541921
  H      -8.561414     -0.593004      0.573963
  H      -6.656063      0.056714      2.073324
  N      -5.056168      2.174631      4.128703
  H      -5.803765      2.237784      3.404542
100
Coordinates from ORCA-job orca E -6429.397041014739
  N      -3.029027      0.247248      5.020998
  Mo     -3.891134      1.989735      5.401079
  N      -5.159644      1.936199      6.893923
  C      -4.678587      1.914069      8.275137
  C      -3.342851      1.194737      8.342993
  N      -2.465817      1.687488      7.255285
  C      -1.451099      0.691095      6.847963
  C      -2.107968     -0.369238      5.991710
  C      -1.857153      3.005413      7.555115
  C      -1.636362      3.722636      6.230258
  N      -2.885152      3.701980      5.448345
  H      -1.307999     -0.949296      5.472765
  H      -2.667744     -1.113338      6.606941
  H      -0.697640      1.216937      6.241209
  H      -0.939816      0.258402      7.725842
  H      -1.320460      4.759077      6.420093
  H      -0.815935      3.245288      5.664601
  H      -2.568636      3.579112      8.167567
  H      -0.921218      2.881260      8.129723
  H      -5.404739      1.385205      8.915411
  H      -4.595585      2.942632      8.675185
  H      -3.497363      0.119005      8.184885
  H      -2.865760      1.332034      9.329006
  C      -3.483172     -0.727009      4.008870
  C      -2.478572     -0.884661      2.853910
  C      -2.681935      0.178616      1.785893
  O      -3.972011     -0.135131      1.187552
  C      -4.363851      0.363052     -0.011041
  C      -5.216342     -0.440911     -0.754770
  C      -5.737243      0.024998     -1.979247
  N      -5.481184      1.215121     -2.501750
  C      -4.653657      2.023817     -1.783461
  C      -4.391155      3.319972     -2.280430
  C      -3.594704      4.169832     -1.552896
  C      -3.049176      3.713488     -0.327258
  N      -3.254088      2.511072      0.178629
  C      -4.049928      1.661536     -0.525252
  C      -3.304281      5.068703      5.095392
  C      -4.503581      5.234672      4.171621
  C      -4.203312      4.976202      2.688758
  O      -5.305928      4.418596      1.935720
  C      -6.362997      5.212795      1.657198
  C      -6.582501      6.479653      2.193712
  C      -7.776183      7.172466      1.873897
  N      -8.725779      6.726119      1.057035
  C      -8.488870      5.518141      0.449834
  C      -9.419942      5.041476     -0.515983
  C      -9.168524      3.849070     -1.170008
  C      -7.995866      3.121628     -0.837274
  N      -7.101291      3.516566      0.069663
  C      -7.329600      4.704366      0.708073
  C      -6.584707      2.226780      6.748566
  C      -6.913743      3.731577      6.859404
  C      -8.080757      4.152049      5.979215
  O      -7.757780      3.798121      4.613231
  C      -8.781297      3.569253      3.760177
  C      -9.954554      4.301505      3.750167
  C     -10.972120      3.958908      2.835066
  N     -10.915949      2.951143      1.981745
  C      -9.770375      2.213861      1.982775
  C      -9.680380      1.091744      1.125799
  C      -8.539220      0.328673      1.133711
  C      -7.470649      0.703644      1.980787
  N      -7.510562      1.744951      2.795099
  C      -8.645592      2.492747      2.824564
  H      -3.654458     -1.703167      4.506141
  H      -4.448270     -0.402358      3.598483
  H      -1.451436     -0.808987      3.231293
  H      -2.583560     -1.881134      2.403388
  H      -1.890992      0.134866      1.007788
  H      -2.698013      1.207638      2.204255
  H      -5.470497     -1.433908     -0.386048
  H      -6.398821     -0.627336     -2.558051
  H      -4.847590      3.608722     -3.230568
  H      -3.383280      5.179165     -1.899516
  H      -2.414481      4.380466      0.263027
  H      -2.436997      5.605076      4.662850
  H      -3.535377      5.596768      6.045688
  H      -4.844011      6.273048      4.316395
  H      -5.337879      4.591116      4.491985
  H      -3.412271      4.221473      2.574253
  H      -3.871354      5.905284      2.188009
  H      -5.868717      6.948406      2.875875
  H      -7.951997      8.155055      2.338021
  H     -10.307254      5.647834     -0.725131
  H      -9.853708      3.460425     -1.933218
  H      -7.786337      2.170505     -1.344525
  H      -7.155824      1.646090      7.493925
  H      -6.881394      1.887763      5.744618
  H      -6.037968      4.300384      6.538492
  H      -7.119206      4.017623      7.899678
  H      -8.250138      5.234747      6.047937
  H      -9.001066      3.636520      6.263348
  H     -10.108847      5.133541      4.436959
  H     -11.888036      4.555255      2.822702
  H     -10.535284      0.863794      0.482985
  H      -8.439275     -0.541636      0.490239
  H      -6.542235      0.127661      1.990669
  N      -5.074549      2.140142      4.161121
  H      -5.846661      2.168418      3.447698
100
Coordinates from ORCA-job orca E -6429.397314691657
  N      -3.071790      0.217455      5.019340
  Mo     -3.949996      1.953636      5.406329
  N      -5.178657      1.916226      6.937677
  C      -4.661668      1.913554      8.304841
  C      -3.325345      1.193295      8.343504
  N      -2.479447      1.675017      7.227597
  C      -1.471704      0.683491      6.800028
  C      -2.141129     -0.383228      5.960426
  C      -1.866810      2.998544      7.498515
  C      -1.682332      3.703341      6.168806
  N      -2.943405      3.670595      5.417213
  H      -1.366221     -0.951273      5.428634
  H      -2.676575     -1.121378      6.575550
  H      -0.738777      1.211812      6.175847
  H      -0.937531      0.257689      7.664940
  H      -1.366747      4.743450      6.345731
  H      -0.877744      3.227757      5.589084
  H      -2.560229      3.573865      8.121152
  H      -0.920608      2.886017      8.046763
  H      -5.374025      1.396986      8.971254
  H      -4.562068      2.949035      8.688410
  H      -3.485771      0.115297      8.201892
  H      -2.820359      1.343333      9.313507
  C      -3.493601     -0.765304      4.017753
  C      -2.464230     -0.886661      2.867380
  C      -2.683838      0.170189      1.797157
  O      -3.961646     -0.163745      1.171094
  C      -4.330528      0.329470     -0.029539
  C      -5.170116     -0.477057     -0.783117
  C      -5.670932     -0.011080     -2.001561
  N      -5.410166      1.182668     -2.509843
  C      -4.593910      1.994277     -1.781997
  C      -4.330712      3.301113     -2.259378
  C      -3.543946      4.154693     -1.519286
  C      -3.010593      3.690938     -0.304016
  N      -3.220169      2.481271      0.183586
  C      -4.006998      1.629188     -0.530428
  C      -3.357112      5.025693      5.067998
  C      -4.572020      5.193126      4.161601
  C      -4.284292      4.961227      2.687624
  O      -5.375190      4.427557      1.921201
  C      -6.433785      5.209851      1.634538
  C      -6.690561      6.458864      2.184158
  C      -7.890144      7.130385      1.861468
  N      -8.813247      6.681404      1.031421
  C      -8.537257      5.494623      0.407049
  C      -9.438479      5.018092     -0.575236
  C      -9.145706      3.848607     -1.247907
  C      -7.960575      3.142779     -0.918112
  N      -7.095760      3.538981      0.004428
  C      -7.366494      4.704010      0.662504
  C      -6.604355      2.230346      6.833989
  C      -6.865575      3.769447      6.913634
  C      -8.031338      4.221115      6.044621
  O      -7.716780      3.792944      4.677766
  C      -8.751326      3.592058      3.828624
  C      -9.931482      4.325042      3.843500
  C     -10.952698      4.003850      2.927342
  N     -10.889218      3.017255      2.046611
  C      -9.730679      2.283287      2.018285
  C      -9.621370      1.184662      1.123135
  C      -8.457104      0.429321      1.091432
  C      -7.392350      0.789799      1.939686
  N      -7.450400      1.808230      2.792531
  C      -8.606276      2.543858      2.860431
  H      -3.630173     -1.741199      4.509744
  H      -4.469003     -0.470897      3.613802
  H      -1.433027     -0.773067      3.266596
  H      -2.527228     -1.895403      2.401170
  H      -1.880907      0.146059      1.029103
  H      -2.724978      1.195544      2.223276
  H      -5.430092     -1.471454     -0.423998
  H      -6.323310     -0.663822     -2.588013
  H      -4.779514      3.597177     -3.202330
  H      -3.334026      5.173370     -1.850487
  H      -2.384565      4.359822      0.295930
  H      -2.492536      5.552716      4.623749
  H      -3.566902      5.555661      6.015510
  H      -4.917614      6.216825      4.317283
  H      -5.393638      4.547782      4.475220
  H      -3.496094      4.211728      2.568716
  H      -3.958263      5.888344      2.203770
  H      -6.004032      6.928459      2.880420
  H      -8.095069      8.095971      2.336973
  H     -10.336175      5.606938     -0.781661
  H      -9.806785      3.463833     -2.023610
  H      -7.715209      2.208672     -1.441479
  H      -7.179742      1.685787      7.616750
  H      -6.937012      1.866392      5.852423
  H      -5.948427      4.297464      6.550256
  H      -7.048360      4.107772      7.960119
  H      -8.132795      5.335683      6.086479
  H      -9.002061      3.760312      6.366126
  H     -10.090086      5.137252      4.553064
  H     -11.877699      4.598730      2.936150
  H     -10.473766      0.969049      0.479795
  H      -8.338501     -0.423800      0.415120
  H      -6.450900      0.222380      1.918536
  N      -5.188215      2.079345      4.215350
  H      -6.010228      2.075816      3.544475
100
Coordinates from ORCA-job orca E -6429.398076000621
  N      -3.088245      0.220174      5.028506
  Mo     -3.953166      1.956545      5.421191
  N      -5.174576      1.925258      6.963419
  C      -4.657070      1.923713      8.328521
  C      -3.322659      1.195759      8.365387
  N      -2.481023      1.665970      7.240564
  C      -1.481399      0.665291      6.809615
  C      -2.162964     -0.394056      5.968968
  C      -1.855540      2.984773      7.500419
  C      -1.661075      3.684404      6.161095
  N      -2.928649      3.667985      5.409278
  H      -1.397087     -0.961039      5.436715
  H      -2.705583     -1.126370      6.583057
  H      -0.746033      1.188412      6.185282
  H      -0.949047      0.232017      7.671926
  H      -1.333276      4.724790      6.330912
  H      -0.858853      3.194529      5.580224
  H      -2.546082      3.573000      8.120634
  H      -0.907095      2.864418      8.049058
  H      -5.371804      1.412655      8.997900
  H      -4.552846      2.959668      8.707670
  H      -3.493249      0.118755      8.229551
  H      -2.808681      1.343735      9.329621
  C      -3.502966     -0.748927      4.016418
  C      -2.476912     -0.848014      2.878014
  C      -2.690542      0.194861      1.804961
  O      -3.941958     -0.128072      1.164670
  C      -4.298262      0.355830     -0.044143
  C      -5.144606     -0.449341     -0.792753
  C      -5.645865      0.012756     -2.013234
  N      -5.380820      1.204002     -2.529723
  C      -4.556549      2.015138     -1.808214
  C      -4.292708      3.324613     -2.291673
  C      -3.497200      4.176509     -1.558206
  C      -2.957091      3.711389     -0.343921
  N      -3.170757      2.501641      0.150157
  C      -3.964230      1.649786     -0.556381
  C      -3.323824      5.036240      5.026700
  C      -4.539450      5.216447      4.126104
  C      -4.262379      4.947362      2.642159
  O      -5.386430      4.436940      1.892717
  C      -6.441154      5.221159      1.606396
  C      -6.713965      6.464746      2.139687
  C      -7.920903      7.105183      1.817981
  N      -8.837923      6.633282      1.005842
  C      -8.543572      5.455171      0.397422
  C      -9.438704      4.948138     -0.561345
  C      -9.124686      3.789794     -1.215294
  C      -7.924023      3.129445     -0.892704
  N      -7.068678      3.549957      0.009999
  C      -7.362918      4.700015      0.650317
  C      -6.600684      2.218103      6.858135
  C      -6.894917      3.719387      6.942681
  C      -8.062908      4.151967      6.070011
  O      -7.755802      3.758575      4.726990
  C      -8.785696      3.588432      3.870427
  C      -9.944802      4.337745      3.882389
  C     -10.952057      4.044553      2.948704
  N     -10.894725      3.069651      2.054485
  C      -9.758563      2.320097      2.031458
  C      -9.654727      1.232203      1.123861
  C      -8.513804      0.457834      1.098084
  C      -7.461503      0.793041      1.959611
  N      -7.516396      1.801750      2.823534
  C      -8.650206      2.553620      2.889659
  H      -3.631695     -1.727153      4.496944
  H      -4.476233     -0.457100      3.606602
  H      -1.461149     -0.732449      3.291587
  H      -2.526896     -1.839089      2.409288
  H      -1.907620      0.169267      1.058600
  H      -2.730185      1.192396      2.215950
  H      -5.411396     -1.440217     -0.422486
  H      -6.306514     -0.636788     -2.594698
  H      -4.750817      3.623661     -3.233500
  H      -3.286907      5.196015     -1.895424
  H      -2.325923      4.376104      0.255390
  H      -2.446392      5.540181      4.557523
  H      -3.526091      5.595885      5.965737
  H      -4.859285      6.264586      4.269708
  H      -5.384370      4.587412      4.464597
  H      -3.500074      4.158815      2.510377
  H      -3.898354      5.864651      2.143259
  H      -6.038775      6.951346      2.824724
  H      -8.139552      8.064633      2.280717
  H     -10.348792      5.506161     -0.763327
  H      -9.780195      3.378992     -1.972240
  H      -7.658917      2.209717     -1.405600
  H      -7.149725      1.671339      7.631734
  H      -6.936747      1.853638      5.887177
  H      -6.004243      4.258424      6.603442
  H      -7.080954      4.028359      7.972386
  H      -8.186581      5.229564      6.117493
  H      -9.002492      3.682649      6.362151
  H     -10.093065      5.143763      4.598893
  H     -11.856934      4.654420      2.950068
  H     -10.493254      1.039422      0.467125
  H      -8.401845     -0.387932      0.412676
  H      -6.530481      0.217232      1.942044
  N      -5.202868      2.087624      4.253689
  H      -6.061643      2.077214      3.609395
100
Coordinates from ORCA-job orca E -6429.399951166852
  N      -3.076467      0.215071      5.056507
  Mo     -3.925500      1.958046      5.445013
  N      -5.167156      1.938260      6.968932
  C      -4.666334      1.938615      8.341558
  C      -3.339723      1.198669      8.401396
  N      -2.479312      1.656739      7.287183
  C      -1.484593      0.641011      6.875934
  C      -2.164273     -0.411648      6.027592
  C      -1.846189      2.969675      7.548133
  C      -1.633797      3.664051      6.207872
  N      -2.895182      3.652309      5.439680
  H      -1.381718     -1.001419      5.509702
  H      -2.733298     -1.139490      6.646430
  H      -0.729767      1.151714      6.259877
  H      -0.971126      0.203914      7.750547
  H      -1.303191      4.697636      6.380093
  H      -0.826306      3.169312      5.637776
  H      -2.539843      3.565323      8.160501
  H      -0.900855      2.843149      8.110187
  H      -5.390711      1.435397      9.005053
  H      -4.560375      2.973615      8.717626
  H      -3.515751      0.123310      8.267168
  H      -2.839796      1.346007      9.373962
  C      -3.486558     -0.736793      3.998622
  C      -2.459723     -0.797797      2.851902
  C      -2.695229      0.293471      1.820766
  O      -3.950112     -0.064994      1.187243
  C      -4.340003      0.427218     -0.014584
  C      -5.187296     -0.386727     -0.753391
  C      -5.713852      0.067511     -1.979970
  N      -5.464632      1.253901     -2.512540
  C      -4.637779      2.069956     -1.802231
  C      -4.371697      3.355490     -2.312817
  C      -3.570467      4.208638     -1.596631
  C      -3.026654      3.770570     -0.367488
  N      -3.236523      2.579252      0.151628
  C      -4.031780      1.722111     -0.541431
  C      -3.282493      5.008571      5.039249
  C      -4.487097      5.178295      4.127395
  C      -4.214090      4.907483      2.651285
  O      -5.339976      4.395375      1.909914
  C      -6.376963      5.205223      1.623761
  C      -6.597422      6.467360      2.151721
  C      -7.788485      7.149290      1.835971
  N      -8.737249      6.697765      1.033005
  C      -8.494918      5.500248      0.429040
  C      -9.423382      5.016049     -0.522092
  C      -9.162798      3.839989     -1.175323
  C      -7.983561      3.138244     -0.858172
  N      -7.094768      3.536180      0.037392
  C      -7.333987      4.704466      0.677108
  C      -6.592769      2.264876      6.843096
  C      -6.886281      3.782624      6.870171
  C      -8.037945      4.183156      5.960542
  O      -7.727081      3.734514      4.615222
  C      -8.766910      3.532273      3.768878
  C      -9.946370      4.254722      3.783809
  C     -10.986623      3.912656      2.879151
  N     -10.947021      2.913879      2.016707
  C      -9.793173      2.190702      1.991104
  C      -9.716782      1.075687      1.127966
  C      -8.562117      0.327657      1.102565
  C      -7.469072      0.711717      1.921136
  N      -7.505170      1.743056      2.744985
  C      -8.646385      2.475938      2.812679
  H      -3.624296     -1.740974      4.452694
  H      -4.457977     -0.433242      3.587097
  H      -1.449083     -0.678785      3.250356
  H      -2.499102     -1.777271      2.361722
  H      -1.893347      0.325684      1.061294
  H      -2.774583      1.297784      2.275290
  H      -5.435336     -1.378230     -0.374305
  H      -6.374033     -0.591161     -2.552975
  H      -4.828061      3.630975     -3.264847
  H      -3.354136      5.206560     -1.955478
  H      -2.390117      4.438993      0.218353
  H      -2.414134      5.499771      4.577779
  H      -3.481873      5.569955      5.963859
  H      -4.811756      6.214368      4.260027
  H      -5.313991      4.554385      4.461644
  H      -3.454698      4.122898      2.530071
  H      -3.854347      5.817506      2.146398
  H      -5.889002      6.939354      2.827056
  H      -7.964823      8.126270      2.294346
  H     -10.315105      5.606416     -0.720480
  H      -9.845303      3.445731     -1.929015
  H      -7.762623      2.204877     -1.369328
  H      -7.161085      1.743243      7.634891
  H      -6.922226      1.874482      5.871898
  H      -5.994613      4.311986      6.527480
  H      -7.095511      4.128456      7.890085
  H      -8.168339      5.270171      5.961953
  H      -8.974023      3.715459      6.268813
  H     -10.091252      5.075455      4.483199
  H     -11.910193      4.499412      2.888243
  H     -10.594290      0.839068      0.506723
  H      -8.471997     -0.536401      0.454657
  H      -6.527230      0.153968      1.905566
  N      -5.143119      2.104240      4.255174
  H      -6.002771      2.095668      3.597191
100
Coordinates from ORCA-job orca E -6429.396857922557
  N      -3.062787      0.197556      5.072527
  Mo     -3.949010      1.927655      5.437460
  N      -5.171470      1.908465      6.985577
  C      -4.651309      1.934128      8.352936
  C      -3.314653      1.217177      8.403031
  N      -2.476967      1.676721      7.274670
  C      -1.470169      0.673968      6.866648
  C      -2.139639     -0.403273      6.041398
  C      -1.866848      3.008752      7.510724
  C      -1.680716      3.688939      6.162015
  N      -2.941533      3.645661      5.407267
  H      -1.355388     -1.001216      5.521094
  H      -2.693688     -1.126968      6.678637
  H      -0.726645      1.187879      6.240180
  H      -0.945692      0.256773      7.743914
  H      -1.367834      4.733075      6.324566
  H      -0.872864      3.205167      5.587218
  H      -2.563350      3.601048      8.122107
  H      -0.918401      2.910275      8.065021
  H      -5.358466      1.428578      9.033047
  H      -4.553798      2.976927      8.717404
  H      -3.473916      0.136724      8.280706
  H      -2.806519      1.385241      9.369184
  C      -3.455132     -0.770391      4.046447
  C      -2.442951     -0.849924      2.904785
  C      -2.696429      0.212032      1.853405
  O      -3.955020     -0.148793      1.236924
  C      -4.361379      0.336241      0.034779
  C      -5.219370     -0.484304     -0.687581
  C      -5.769766     -0.026473     -1.903279
  N      -5.540620      1.172282     -2.437725
  C      -4.702692      1.994677     -1.744679
  C      -4.464849      3.302670     -2.255417
  C      -3.656218      4.166261     -1.555158
  C      -3.071738      3.711111     -0.343323
  N      -3.253919      2.499005      0.175584
  C      -4.064941      1.638214     -0.499666
  C      -3.337026      5.000268      5.004656
  C      -4.563093      5.142183      4.113058
  C      -4.285414      4.863255      2.629858
  O      -5.406863      4.341776      1.883788
  C      -6.436350      5.173184      1.612346
  C      -6.631639      6.426043      2.202300
  C      -7.816691      7.157479      1.916386
  N      -8.782369      6.760614      1.084178
  C      -8.563712      5.574448      0.412629
  C      -9.512480      5.152541     -0.572379
  C      -9.273605      3.989638     -1.302156
  C      -8.090228      3.239347     -1.031099
  N      -7.186294      3.577514     -0.100145
  C      -7.407040      4.730856      0.622124
  C      -6.600357      2.225187      6.896475
  C      -6.878069      3.758193      6.928982
  C      -8.036245      4.169360      6.031925
  O      -7.713659      3.709891      4.685833
  C      -8.719560      3.526055      3.808291
  C      -9.903863      4.237666      3.810236
  C     -10.876705      3.931240      2.845046
  N     -10.765055      2.979043      1.929593
  C      -9.606143      2.267453      1.915045
  C      -9.447182      1.210426      0.982961
  C      -8.288965      0.476577      0.967520
  C      -7.271712      0.819982      1.867841
  N      -7.378997      1.800669      2.754680
  C      -8.529166      2.515994      2.807982
  H      -3.565255     -1.755847      4.519582
  H      -4.437173     -0.488372      3.647788
  H      -1.431177     -0.725054      3.302703
  H      -2.484068     -1.829884      2.436956
  H      -1.910854      0.228558      1.087205
  H      -2.766241      1.216241      2.289808
  H      -5.456960     -1.482783     -0.304972
  H      -6.436138     -0.690502     -2.462471
  H      -4.950861      3.589456     -3.192723
  H      -3.464419      5.186316     -1.912546
  H      -2.423846      4.386496      0.222328
  H      -2.468595      5.498384      4.519588
  H      -3.525156      5.582190      5.939895
  H      -4.895306      6.183502      4.252490
  H      -5.394506      4.503842      4.462259
  H      -3.522771      4.083340      2.521352
  H      -3.922621      5.776810      2.118533
  H      -5.906849      6.852644      2.906895
  H      -7.973632      8.126155      2.426671
  H     -10.401875      5.777931     -0.735576
  H      -9.974873      3.644268     -2.078549
  H      -7.875319      2.319078     -1.610581
  H      -7.154183      1.708378      7.709523
  H      -6.956643      1.819764      5.937352
  H      -5.966842      4.283116      6.568970
  H      -7.077017      4.124006      7.962716
  H      -8.145593      5.274664      6.034019
  H      -8.995011      3.713333      6.347014
  H     -10.098439      5.027277      4.539501
  H     -11.801183      4.511678      2.841452
  H     -10.262395      1.010084      0.296900
  H      -8.136186     -0.344690      0.266347
  H      -6.333420      0.272912      1.864298
  N      -5.187423      2.018201      4.242419
  H      -6.060827      1.995901      3.595966
100
Coordinates from ORCA-job orca E -6429.402234875423
  N      -3.091236      0.207917      5.056280
  Mo     -3.962631      1.940866      5.438874
  N      -5.180653      1.920288      6.990438
  C      -4.661006      1.933068      8.355499
  C      -3.328369      1.204441      8.400981
  N      -2.491755      1.661915      7.270522
  C      -1.492231      0.655524      6.850904
  C      -2.172936     -0.408114      6.016635
  C      -1.868801      2.983216      7.513538
  C      -1.675383      3.670923      6.171283
  N      -2.939348      3.644983      5.412593
  H      -1.399784     -0.995714      5.492807
  H      -2.731570     -1.130313      6.644596
  H      -0.748690      1.171085      6.227785
  H      -0.967852      0.225069      7.720857
  H      -1.355136      4.710448      6.339331
  H      -0.870414      3.185443      5.594567
  H      -2.561203      3.577314      8.125153
  H      -0.920728      2.873105      8.067257
  H      -5.374469      1.430578      9.031441
  H      -4.555778      2.972121      8.724042
  H      -3.500963      0.126555      8.275258
  H      -2.812181      1.360730      9.363732
  C      -3.480013     -0.754205      4.007486
  C      -2.441057     -0.812608      2.862382
  C      -2.682406      0.250707      1.806418
  O      -3.933920     -0.112104      1.161090
  C      -4.306102      0.364838     -0.045770
  C      -5.159631     -0.447682     -0.779992
  C      -5.671108      0.000842     -2.002458
  N      -5.407013      1.182729     -2.534957
  C      -4.574679      1.999318     -1.829023
  C      -4.301959      3.293917     -2.336136
  C      -3.496877      4.153755     -1.621116
  C      -2.956954      3.710477     -0.399266
  N      -3.177106      2.512960      0.116515
  C      -3.977006      1.652654     -0.574243
  C      -3.326855      5.007551      5.003256
  C      -4.542923      5.173577      4.103798
  C      -4.258248      4.922619      2.628037
  O      -5.372170      4.424905      1.868948
  C      -6.416341      5.225925      1.588445
  C      -6.668563      6.471910      2.143479
  C      -7.876102      7.135106      1.842476
  N      -8.814185      6.679549      1.032847
  C      -8.541190      5.498799      0.401631
  C      -9.463038      5.006020     -0.551231
  C      -9.166897      3.848413     -1.235429
  C      -7.953970      3.174271     -0.950598
  N      -7.077356      3.578723     -0.047958
  C      -7.355799      4.726473      0.625461
  C      -6.608265      2.231651      6.904252
  C      -6.881327      3.747971      6.954322
  C      -8.057564      4.165810      6.083860
  O      -7.758274      3.696638      4.736814
  C      -8.793715      3.541264      3.882184
  C      -9.964583      4.280565      3.906104
  C     -10.972050      3.990239      2.967843
  N     -10.904449      3.027502      2.060550
  C      -9.757105      2.288451      2.026030
  C      -9.639992      1.216026      1.102644
  C      -8.484185      0.458250      1.061089
  C      -7.437321      0.788800      1.931521
  N      -7.509448      1.778153      2.817028
  C      -8.650299      2.520007      2.890146
  H      -3.596299     -1.750779      4.470647
  H      -4.456524     -0.472240      3.600228
  H      -1.422053     -0.672133      3.274444
  H      -2.462060     -1.809045      2.376887
  H      -1.880743      0.266473      1.053210
  H      -2.761862      1.256129      2.242552
  H      -5.424941     -1.431093     -0.397755
  H      -6.337354     -0.654807     -2.572240
  H      -4.760192      3.576073     -3.281928
  H      -3.278226      5.163237     -1.977224
  H      -2.318714      4.383645      0.185322
  H      -2.453075      5.497701      4.518609
  H      -3.515691      5.585275      5.935356
  H      -4.874604      6.207360      4.248173
  H      -5.370117      4.536102      4.432692
  H      -3.500250      4.137218      2.507498
  H      -3.890364      5.837347      2.139923
  H      -5.975499      6.943566      2.830191
  H      -8.076948      8.097608      2.321576
  H     -10.378333      5.575236     -0.725741
  H      -9.844627      3.451005     -1.988102
  H      -7.692702      2.259973     -1.493944
  H      -7.148876      1.713561      7.711043
  H      -6.975754      1.835949      5.952579
  H      -5.977458      4.267817      6.589602
  H      -7.060242      4.099748      7.981484
  H      -8.160126      5.268900      6.090142
  H      -9.018531      3.714358      6.415894
  H     -10.119002      5.078802      4.630215
  H     -11.886826      4.591838      2.978136
  H     -10.478026      1.022582      0.442023
  H      -8.358683     -0.373862      0.360916
  H      -6.499481      0.224258      1.903628
  N      -5.190149      2.067856      4.246929
  H      -6.063336      2.058261      3.597677
100
Coordinates from ORCA-job orca E -6429.399923923722
  N      -3.113451      0.191874      5.068264
  Mo     -3.979646      1.925668      5.461816
  N      -5.173742      1.918871      7.029671
  C      -4.633375      1.940074      8.386765
  C      -3.304765      1.203275      8.416191
  N      -2.480890      1.648500      7.270859
  C      -1.493972      0.637543      6.836286
  C      -2.189604     -0.419439      6.005658
  C      -1.844538      2.968371      7.493367
  C      -1.670907      3.645350      6.145633
  N      -2.946409      3.620735      5.411864
  H      -1.437136     -0.997627      5.472041
  H      -2.732657     -1.138372      6.626838
  H      -0.757652      1.150492      6.204808
  H      -0.958864      0.204116      7.697262
  H      -1.340266      4.684717      6.302142
  H      -0.880582      3.151351      5.559052
  H      -2.518161      3.569294      8.114329
  H      -0.887663      2.857971      8.026909
  H      -5.339609      1.447778      9.077556
  H      -4.514320      2.981527      8.746184
  H      -3.486015      0.125955      8.299849
  H      -2.774412      1.362875      9.370288
  C      -3.484536     -0.763732      4.026003
  C      -2.455607     -0.781477      2.885600
  C      -2.717679      0.297567      1.851783
  O      -3.949825     -0.085920      1.192760
  C      -4.324502      0.413326     -0.009818
  C      -5.178119     -0.386790     -0.757110
  C      -5.703132      0.085206     -1.975249
  N      -5.449624      1.277146     -2.493863
  C      -4.611042      2.077274     -1.778254
  C      -4.339244      3.371457     -2.274146
  C      -3.521012      4.204854     -1.554090
  C      -2.967026      3.739838     -0.336565
  N      -3.187683      2.544656      0.170033
  C      -3.999917      1.706808     -0.526409
  C      -3.318656      4.967448      4.999995
  C      -4.552499      5.136913      4.121375
  C      -4.301429      4.839880      2.634078
  O      -5.448197      4.354862      1.899418
  C      -6.465284      5.183878      1.599655
  C      -6.680320      6.447823      2.120326
  C      -7.853183      7.142793      1.782416
  N      -8.787364      6.704512      0.965056
  C      -8.545837      5.509633      0.362195
  C      -9.453916      5.040208     -0.609228
  C      -9.185542      3.874055     -1.271678
  C      -8.018113      3.168561     -0.946305
  N      -7.154067      3.548387     -0.025098
  C      -7.403069      4.703653      0.627877
  C      -6.597855      2.253067      6.940317
  C      -6.866743      3.781412      6.922832
  C      -8.008605      4.184839      6.002435
  O      -7.695149      3.710423      4.683727
  C      -8.717404      3.544282      3.817981
  C      -9.896584      4.264398      3.837103
  C     -10.922713      3.940102      2.911677
  N     -10.873623      2.957375      2.029023
  C      -9.716779      2.238876      1.996996
  C      -9.629874      1.138532      1.114147
  C      -8.470701      0.398866      1.081515
  C      -7.381890      0.776632      1.908800
  N      -7.430482      1.789406      2.758611
  C      -8.579355      2.513351      2.834626
  H      -3.566405     -1.764644      4.472913
  H      -4.470928     -0.499002      3.634988
  H      -1.448534     -0.626821      3.299662
  H      -2.452142     -1.762595      2.391654
  H      -1.913208      0.356110      1.108034
  H      -2.830281      1.289460      2.307290
  H      -5.435376     -1.379203     -0.385944
  H      -6.371530     -0.559383     -2.552351
  H      -4.805798      3.669441     -3.217991
  H      -3.298656      5.207683     -1.903249
  H      -2.315715      4.388870      0.251289
  H      -2.450279      5.433463      4.505757
  H      -3.477211      5.548772      5.920098
  H      -4.861639      6.185533      4.257690
  H      -5.389545      4.517917      4.484649
  H      -3.569546      4.023511      2.510816
  H      -3.904130      5.736205      2.118042
  H      -5.981639      6.911836      2.805299
  H      -8.024895      8.120221      2.234930
  H     -10.335164      5.636024     -0.817928
  H      -9.852367      3.492561     -2.041198
  H      -7.783856      2.248980     -1.474428
  H      -7.146990      1.769261      7.772229
  H      -6.963531      1.825171      5.998314
  H      -5.961892      4.288421      6.569063
  H      -7.075986      4.159960      7.932260
  H      -8.121767      5.268148      5.975334
  H      -8.952695      3.743947      6.308743
  H     -10.052572      5.068983      4.555083
  H     -11.846333      4.524563      2.923527
  H     -10.503092      0.905974      0.485245
  H      -8.371780     -0.453153      0.416879
  H      -6.434566      0.230682      1.879776
  N      -5.249585      2.043377      4.311022
  H      -6.166384      2.030576      3.711817
100
Coordinates from ORCA-job orca E -6429.403381433138
  N      -3.084175      0.194803      5.077058
  Mo     -3.951994      1.926352      5.454376
  N      -5.168646      1.917014      7.009662
  C      -4.647577      1.939239      8.375121
  C      -3.318151      1.205289      8.425951
  N      -2.480042      1.651128      7.292158
  C      -1.485357      0.636019      6.878813
  C      -2.171098     -0.426867      6.047950
  C      -1.852968      2.973844      7.520319
  C      -1.656504      3.650641      6.168589
  N      -2.922518      3.624365      5.411876
  H      -1.397709     -1.029226      5.527962
  H      -2.739472     -1.141270      6.683070
  H      -0.735125      1.143534      6.255426
  H      -0.966292      0.205399      7.753048
  H      -1.333077      4.691302      6.329462
  H      -0.851808      3.157088      5.592459
  H      -2.543719      3.578560      8.128394
  H      -0.903343      2.865905      8.076409
  H      -5.361217      1.444688      9.057335
  H      -4.538785      2.980922      8.735847
  H      -3.494986      0.127571      8.306419
  H      -2.802253      1.364686      9.388425
  C      -3.464730     -0.752894      4.015328
  C      -2.444473     -0.784394      2.872081
  C      -2.704081      0.294502      1.837085
  O      -3.944565     -0.087371      1.194868
  C      -4.336258      0.400116     -0.008095
  C      -5.187378     -0.419317     -0.736774
  C      -5.712211      0.026702     -1.961716
  N      -5.458854      1.211292     -2.503829
  C      -4.625659      2.032544     -1.805723
  C      -4.346935      3.316019     -2.330841
  C      -3.534765      4.174569     -1.629678
  C      -2.993810      3.743770     -0.400954
  N      -3.215980      2.554542      0.132035
  C      -4.021224      1.692696     -0.546763
  C      -3.303285      4.978103      4.993000
  C      -4.531749      5.136353      4.108248
  C      -4.266490      4.876796      2.625239
  O      -5.399587      4.389532      1.876040
  C      -6.428888      5.210952      1.596201
  C      -6.650588      6.465067      2.146444
  C      -7.838788      7.157496      1.834214
  N      -8.784730      6.722773      1.018180
  C      -8.540902      5.533976      0.391752
  C      -9.469750      5.062047     -0.568030
  C      -9.199249      3.901538     -1.254075
  C      -8.005228      3.205719     -0.966885
  N      -7.123916      3.585605     -0.053713
  C      -7.377843      4.733796      0.625434
  C      -6.596713      2.254022      6.921253
  C      -6.875015      3.779179      6.926713
  C      -8.045682      4.164968      6.036388
  O      -7.752576      3.691218      4.701641
  C      -8.783551      3.520259      3.843366
  C      -9.966749      4.236646      3.860122
  C     -10.968949      3.925406      2.914403
  N     -10.889688      2.961856      2.011188
  C      -9.733279      2.243881      1.985535
  C      -9.607420      1.169422      1.072432
  C      -8.449284      0.430075      1.047581
  C      -7.400837      0.782251      1.919540
  N      -7.482762      1.774127      2.793368
  C      -8.627634      2.499013      2.853954
  H      -3.568744     -1.758010      4.462546
  H      -4.445976     -0.472144      3.614069
  H      -1.438327     -0.646596      3.273503
  H      -2.461301     -1.759356      2.385635
  H      -1.905547      0.344224      1.086128
  H      -2.809306      1.289781      2.288244
  H      -5.437984     -1.410566     -0.348503
  H      -6.375089     -0.636536     -2.526249
  H      -4.801198      3.584940     -3.281848
  H      -3.306280      5.170905     -2.001307
  H      -2.344814      4.413674      0.171259
  H      -2.437187      5.453894      4.496237
  H      -3.470709      5.563397      5.917772
  H      -4.861118      6.169900      4.256048
  H      -5.351892      4.498950      4.450301
  H      -3.521355      4.080535      2.500646
  H      -3.886088      5.784793      2.130348
  H      -5.944996      6.924023      2.835012
  H      -8.014678      8.129050      2.308373
  H     -10.369587      5.650240     -0.746803
  H      -9.884172      3.516547     -2.011824
  H      -7.762271      2.294668     -1.519155
  H      -7.140616      1.761326      7.751249
  H      -6.968916      1.832083      5.979258
  H      -5.978452      4.298482      6.558049
  H      -7.066795      4.154368      7.946280
  H      -8.171300      5.249821      6.020551
  H      -8.981518      3.704371      6.363192
  H     -10.134781      5.035886      4.581285
  H     -11.891808      4.510285      2.919518
  H     -10.447421      0.957723      0.409319
  H      -8.321236     -0.402856      0.359332
  H      -6.458572      0.233224      1.905397
  N      -5.170443      2.042615      4.257297
  H      -6.059484      2.036654      3.619655
100
Coordinates from ORCA-job orca E -6429.402007314203
  N      -3.102310      0.200997      5.079536
  Mo     -3.990969      1.925828      5.465572
  N      -5.188219      1.903719      7.033312
  C      -4.652982      1.923612      8.392023
  C      -3.317824      1.204810      8.428079
  N      -2.499276      1.662401      7.289555
  C      -1.496719      0.664043      6.865951
  C      -2.174960     -0.400918      6.033768
  C      -1.885380      2.987222      7.517937
  C      -1.707594      3.662263      6.172214
  N      -2.974071      3.623125      5.417227
  H      -1.407700     -0.980787      5.505615
  H      -2.721806     -1.120394      6.662386
  H      -0.758692      1.183349      6.242053
  H      -0.967322      0.236463      7.734276
  H      -1.394303      4.702351      6.332456
  H      -0.903770      3.179908      5.594912
  H      -2.576699      3.580652      8.126787
  H      -0.933070      2.892602      8.068127
  H      -5.355744      1.421576      9.074764
  H      -4.548932      2.962075      8.756181
  H      -3.486940      0.127966      8.306094
  H      -2.791195      1.365463      9.384474
  C      -3.468428     -0.761706      4.016693
  C      -2.422974     -0.794316      2.870931
  C      -2.673738      0.277673      1.825030
  O      -3.923210     -0.083583      1.181176
  C      -4.309675      0.395405     -0.022268
  C      -5.188195     -0.407340     -0.741634
  C      -5.720868      0.043655     -1.962098
  N      -5.457642      1.220624     -2.505771
  C      -4.601418      2.027202     -1.815678
  C      -4.333960      3.319826     -2.336722
  C      -3.503672      4.171746     -1.641252
  C      -2.932729      3.721056     -0.422781
  N      -3.150452      2.527004      0.107376
  C      -3.975956      1.675353     -0.565222
  C      -3.357450      4.981964      4.967742
  C      -4.569072      5.136563      4.063829
  C      -4.269842      4.859731      2.592630
  O      -5.387788      4.371106      1.836434
  C      -6.412595      5.198246      1.552898
  C      -6.630321      6.454928      2.109930
  C      -7.822225      7.154341      1.806454
  N      -8.775982      6.721378      0.994681
  C      -8.536309      5.528908      0.361884
  C      -9.472740      5.060290     -0.595325
  C      -9.205374      3.895858     -1.288660
  C      -8.007053      3.189202     -1.007488
  N      -7.119045      3.568824     -0.096978
  C      -7.368256      4.722850      0.585569
  C      -6.614351      2.220203      6.960671
  C      -6.884528      3.732611      6.984379
  C      -8.049387      4.154536      6.099763
  O      -7.739019      3.645388      4.764566
  C      -8.762003      3.511195      3.896930
  C      -9.934073      4.246508      3.924431
  C     -10.938664      3.962912      2.978195
  N     -10.870239      3.007988      2.064157
  C      -9.719641      2.273838      2.024815
  C      -9.603078      1.206378      1.098136
  C      -8.437131      0.462042      1.046093
  C      -7.382661      0.796711      1.912541
  N      -7.461285      1.773929      2.809183
  C      -8.610851      2.504732      2.891230
  H      -3.563088     -1.763838      4.471399
  H      -4.452927     -0.497355      3.613951
  H      -1.402303     -0.646116      3.285220
  H      -2.431168     -1.790964      2.373810
  H      -1.874595      0.305758      1.071987
  H      -2.759452      1.277634      2.268896
  H      -5.457181     -1.383468     -0.349127
  H      -6.407337     -0.604822     -2.518969
  H      -4.818013      3.608140     -3.278127
  H      -3.288713      5.181016     -2.008917
  H      -2.274283      4.388684      0.146769
  H      -2.482009      5.451465      4.464908
  H      -3.539252      5.587798      5.886120
  H      -4.900952      6.179368      4.187524
  H      -5.397679      4.499738      4.402501
  H      -3.528667      4.053662      2.490634
  H      -3.874585      5.764146      2.093712
  H      -5.921012      6.908389      2.799224
  H      -7.995503      8.126782      2.285631
  H     -10.374642      5.655151     -0.768581
  H      -9.893147      3.519159     -2.047667
  H      -7.765226      2.273372     -1.562413
  H      -7.139564      1.722234      7.782523
  H      -7.002473      1.807554      6.027236
  H      -5.976813      4.237809      6.628180
  H      -7.075371      4.096783      7.994861
  H      -8.140396      5.272016      6.076388
  H      -9.025910      3.720877      6.441694
  H     -10.096817      5.033066      4.659158
  H     -11.858647      4.559081      2.994495
  H     -10.449202      1.005381      0.442652
  H      -8.308959     -0.362810      0.339917
  H      -6.434602      0.245699      1.871827
  N      -5.222410      2.038731      4.276198
  H      -6.115574      2.021933      3.640111
100
Coordinates from ORCA-job orca E -6429.404187480785
  N      -3.111450      0.189479      5.090286
  Mo     -3.982709      1.919166      5.470346
  N      -5.173481      1.917169      7.048381
  C      -4.631055      1.953781      8.405114
  C      -3.300838      1.219807      8.440553
  N      -2.481260      1.654241      7.288142
  C      -1.493695      0.635336      6.866059
  C      -2.193108     -0.429289      6.047052
  C      -1.848773      2.978707      7.495407
  C      -1.672735      3.646957      6.141481
  N      -2.947310      3.614976      5.405511
  H      -1.431865     -1.032611      5.520696
  H      -2.756332     -1.139166      6.686833
  H      -0.749037      1.138902      6.232693
  H      -0.966495      0.206066      7.735088
  H      -1.347011      4.689561      6.293081
  H      -0.878877      3.152569      5.556436
  H      -2.527742      3.587336      8.107860
  H      -0.893093      2.876906      8.034831
  H      -5.335350      1.465972      9.102747
  H      -4.515627      3.000087      8.754621
  H      -3.481907      0.139784      8.334655
  H      -2.768305      1.388375      9.392528
  C      -3.474768     -0.757114      4.029247
  C      -2.440087     -0.762956      2.887830
  C      -2.710765      0.313980      1.852786
  O      -3.944938     -0.079303      1.193697
  C      -4.327063      0.397956     -0.011429
  C      -5.192703     -0.415195     -0.732307
  C      -5.715989      0.027427     -1.954822
  N      -5.451486      1.204316     -2.501253
  C      -4.604217      2.019491     -1.811131
  C      -4.322274      3.303407     -2.339180
  C      -3.495948      4.158961     -1.645927
  C      -2.945883      3.724019     -0.422315
  N      -3.175856      2.537566      0.114393
  C      -3.994438      1.679334     -0.556637
  C      -3.319299      4.968238      4.970415
  C      -4.555318      5.124270      4.093248
  C      -4.286042      4.862091      2.613530
  O      -5.415199      4.389850      1.855991
  C      -6.438778      5.215886      1.572371
  C      -6.663531      6.467309      2.128746
  C      -7.850756      7.162806      1.815999
  N      -8.793856      6.732304      0.996285
  C      -8.546718      5.546303      0.363557
  C      -9.473015      5.079221     -0.600171
  C      -9.195540      3.924708     -1.297393
  C      -7.996918      3.228729     -1.016139
  N      -7.120611      3.603077     -0.096186
  C      -7.381801      4.745284      0.593597
  C      -6.598789      2.233807      6.982410
  C      -6.875416      3.756252      6.966933
  C      -8.049333      4.136501      6.077210
  O      -7.759855      3.630994      4.747320
  C      -8.785167      3.487433      3.881487
  C      -9.965625      4.209392      3.910684
  C     -10.960670      3.925742      2.954408
  N     -10.876636      2.982976      2.028803
  C      -9.721665      2.259107      1.989982
  C      -9.590409      1.203702      1.051907
  C      -8.428787      0.463028      1.008142
  C      -7.386121      0.792731      1.888980
  N      -7.474600      1.762868      2.790981
  C      -8.623058      2.488928      2.868083
  H      -3.557614     -1.764081      4.471593
  H      -4.460914     -0.493495      3.631486
  H      -1.429508     -0.600180      3.303550
  H      -2.429442     -1.747289      2.388594
  H      -1.902793      0.377254      1.107157
  H      -2.831792      1.307533      2.311301
  H      -5.458164     -1.395592     -0.338409
  H      -6.392189     -0.628830     -2.512535
  H      -4.788116      3.578484     -3.285212
  H      -3.266068      5.158040     -2.020176
  H      -2.288006      4.392698      0.143754
  H      -2.449177      5.429923      4.457628
  H      -3.474535      5.569085      5.889281
  H      -4.888412      6.158172      4.237993
  H      -5.373922      4.483302      4.438689
  H      -3.550620      4.055000      2.494767
  H      -3.890890      5.765570      2.123393
  H      -5.962527      6.920922      2.822615
  H      -8.029125      8.131194      2.294224
  H     -10.375002      5.667760     -0.775456
  H      -9.875878      3.547594     -2.061082
  H      -7.745232      2.324969     -1.580015
  H      -7.117147      1.756575      7.832362
  H      -6.991462      1.788544      6.057669
  H      -5.976296      4.268552      6.584154
  H      -7.059506      4.148113      7.984210
  H      -8.160973      5.231643      6.041400
  H      -8.997297      3.690201      6.423243
  H     -10.138410      4.990531      4.650409
  H     -11.882110      4.515028      2.969340
  H     -10.426313      1.007539      0.384336
  H      -8.293946     -0.354362      0.297052
  H      -6.440999      0.245042      1.857237
  N      -5.226492      2.028491      4.293167
  H      -6.139971      2.012670      3.681247
100
Coordinates from ORCA-job orca E -6429.402530089364
  N      -3.070818      0.181500      5.079517
  Mo     -3.965997      1.899548      5.452121
  N      -5.175573      1.882299      7.013511
  C      -4.647313      1.903729      8.375749
  C      -3.311226      1.183973      8.423569
  N      -2.481940      1.643795      7.293200
  C      -1.472683      0.647988      6.878134
  C      -2.140389     -0.420127      6.042074
  C      -1.879829      2.974487      7.519668
  C      -1.695160      3.647783      6.165241
  N      -2.959663      3.602715      5.402252
  H      -1.366453     -0.999339      5.513136
  H      -2.686018     -1.140765      6.674965
  H      -0.729671      1.169242      6.262071
  H      -0.950023      0.221387      7.752294
  H      -1.391395      4.692091      6.324841
  H      -0.881653      3.167838      5.590330
  H      -2.581864      3.569713      8.123539
  H      -0.928724      2.887009      8.081775
  H      -5.355191      1.404511      9.058459
  H      -4.545556      2.943971      8.737697
  H      -3.477839      0.107634      8.297389
  H      -2.794482      1.341424      9.385593
  C      -3.437718     -0.773982      4.007938
  C      -2.421905     -0.786708      2.854567
  C      -2.685217      0.299568      1.826436
  O      -3.928216     -0.072510      1.198200
  C      -4.329993      0.434456      0.002399
  C      -5.207240     -0.361179     -0.722047
  C      -5.743125      0.105072     -1.939443
  N      -5.475339      1.287008     -2.480252
  C      -4.613783      2.083172     -1.787723
  C      -4.307921      3.355928     -2.316471
  C      -3.458814      4.184326     -1.625732
  C      -2.911161      3.736756     -0.401829
  N      -3.160457      2.558509      0.135608
  C      -3.998222      1.723294     -0.535078
  C      -3.359809      4.945486      4.975974
  C      -4.588940      5.089507      4.091802
  C      -4.305250      4.830956      2.604816
  O      -5.435593      4.354343      1.843920
  C      -6.449784      5.191430      1.550829
  C      -6.650780      6.460424      2.073792
  C      -7.818605      7.169835      1.731717
  N      -8.763842      6.736587      0.915739
  C      -8.544342      5.526823      0.325117
  C      -9.478622      5.043881     -0.622046
  C      -9.227264      3.864939     -1.275720
  C      -8.045926      3.164569     -0.972397
  N      -7.165700      3.549519     -0.062699
  C      -7.402415      4.712277      0.586865
  C      -6.607822      2.245046      6.933748
  C      -6.869634      3.773247      6.954566
  C      -8.046654      4.174490      6.082060
  O      -7.751382      3.707186      4.755582
  C      -8.776980      3.551851      3.889307
  C      -9.959028      4.268939      3.897998
  C     -10.960027      3.955459      2.943410
  N     -10.880860      2.989622      2.042404
  C      -9.723572      2.271827      2.026376
  C      -9.595436      1.193631      1.119656
  C      -8.435108      0.458817      1.107156
  C      -7.386260      0.817217      1.983919
  N      -7.473410      1.807921      2.856267
  C      -8.619751      2.530148      2.903038
  H      -3.522759     -1.784420      4.452590
  H      -4.427287     -0.512656      3.615813
  H      -1.414192     -0.654841      3.247804
  H      -2.442527     -1.758969      2.362430
  H      -1.896881      0.351315      1.069860
  H      -2.786414      1.290300      2.279795
  H      -5.469531     -1.350478     -0.334514
  H      -6.427916     -0.538875     -2.499512
  H      -4.768310      3.638083     -3.263661
  H      -3.203864      5.167958     -2.002487
  H      -2.231075      4.381137      0.161110
  H      -2.504855      5.423087      4.474041
  H      -3.524113      5.528684      5.898717
  H      -4.931979      6.120475      4.242284
  H      -5.402993      4.434279      4.432606
  H      -3.570998      4.020765      2.489883
  H      -3.900080      5.738028      2.112534
  H      -5.941582      6.921155      2.757823
  H      -7.975459      8.156707      2.179078
  H     -10.366852      5.638980     -0.817731
  H      -9.917705      3.469549     -2.022076
  H      -7.810141      2.247846     -1.511122
  H      -7.155270      1.755939      7.764184
  H      -6.997346      1.838361      6.001367
  H      -5.964111      4.285635      6.592379
  H      -7.060009      4.144881      7.970030
  H      -8.175400      5.257844      6.073612
  H      -8.984830      3.714448      6.405360
  H     -10.126290      5.070895      4.615482
  H     -11.883768      4.539956      2.941508
  H     -10.434190      0.976124      0.450812
  H      -8.303977     -0.374736      0.423175
  H      -6.440696      0.274808      1.973064
  N      -5.170791      1.996669      4.236118
  H      -6.063273      1.995108      3.594239
100
Coordinates from ORCA-job orca E -6429.404517126576
  N      -3.097290      0.199017      5.088211
  Mo     -3.976162      1.923704      5.472697
  N      -5.162719      1.909966      7.050740
  C      -4.617989      1.936374      8.406057
  C      -3.285611      1.209144      8.436057
  N      -2.469803      1.657486      7.290051
  C      -1.474878      0.651642      6.861897
  C      -2.165076     -0.411437      6.035623
  C      -1.849650      2.982871      7.505076
  C      -1.677030      3.654702      6.153240
  N      -2.951299      3.617061      5.411806
  H      -1.404892     -0.997844      5.500235
  H      -2.713134     -1.127170      6.671841
  H      -0.734760      1.165281      6.234785
  H      -0.945050      0.221024      7.728817
  H      -1.360404      4.696598      6.308151
  H      -0.878609      3.168387      5.567688
  H      -2.536004      3.583899      8.115919
  H      -0.893580      2.888537      8.050942
  H      -5.318767      1.441663      9.098312
  H      -4.506957      2.977462      8.763402
  H      -3.463694      0.132749      8.317369
  H      -2.752146      1.367273      9.388845
  C      -3.476827     -0.751657      4.032110
  C      -2.462731     -0.784680      2.884780
  C      -2.716383      0.293250      1.848143
  O      -3.963479     -0.072861      1.202224
  C      -4.346038      0.422416      0.001550
  C      -5.218122     -0.377316     -0.724378
  C      -5.733349      0.078111     -1.949126
  N      -5.453278      1.255193     -2.493716
  C      -4.598402      2.056834     -1.799278
  C      -4.290078      3.333120     -2.330123
  C      -3.451384      4.172582     -1.636467
  C      -2.915594      3.729736     -0.407847
  N      -3.168758      2.548545      0.132128
  C      -3.998898      1.705080     -0.540789
  C      -3.340736      4.967571      4.974908
  C      -4.572455      5.112221      4.093412
  C      -4.289165      4.852621      2.611535
  O      -5.416467      4.380864      1.848008
  C      -6.433862      5.215147      1.560312
  C      -6.643463      6.475812      2.103160
  C      -7.818188      7.185693      1.772524
  N      -8.762472      6.759690      0.949581
  C      -8.532551      5.559995      0.336432
  C      -9.462486      5.090862     -0.623748
  C      -9.201378      3.922373     -1.302352
  C      -8.015172      3.215063     -1.006980
  N      -7.136616      3.590177     -0.088114
  C      -7.382012      4.744834      0.584595
  C      -6.591867      2.239354      6.979514
  C      -6.878626      3.759117      6.962215
  C      -8.055510      4.128620      6.073756
  O      -7.759895      3.628592      4.743603
  C      -8.788048      3.478032      3.879678
  C      -9.967342      4.200192      3.904456
  C     -10.971180      3.906337      2.953005
  N     -10.897045      2.953711      2.038675
  C      -9.743127      2.229754      2.004783
  C      -9.622088      1.165332      1.079547
  C      -8.460199      0.428152      1.039431
  C      -7.408391      0.766602      1.913739
  N      -7.490857      1.741937      2.806562
  C      -8.636095      2.468844      2.877544
  H      -3.564339     -1.751625      4.484052
  H      -4.463734     -0.480828      3.640380
  H      -1.449035     -0.657046      3.283299
  H      -2.489867     -1.762978      2.396174
  H      -1.916092      0.332063      1.100059
  H      -2.812593      1.290743      2.297743
  H      -5.491589     -1.360498     -0.333313
  H      -6.413775     -0.569577     -2.511337
  H      -4.743263      3.612412     -3.280546
  H      -3.198535      5.163395     -2.014176
  H      -2.244648      4.383636      0.157961
  H      -2.477319      5.434541      4.458374
  H      -3.499065      5.568589      5.895376
  H      -4.916929      6.144232      4.237614
  H      -5.383651      4.458442      4.434846
  H      -3.555477      4.042220      2.497701
  H      -3.884609      5.757861      2.124359
  H      -5.937812      6.928370      2.796503
  H      -7.982889      8.165108      2.236541
  H     -10.355329      5.688900     -0.810829
  H      -9.886464      3.541176     -2.062414
  H      -7.775757      2.301581     -1.558695
  H      -7.114889      1.761755      7.827175
  H      -6.984585      1.799002      6.056425
  H      -5.987456      4.276948      6.584950
  H      -7.070896      4.147038      7.971896
  H      -8.188058      5.222152      6.037618
  H      -8.993409      3.666148      6.419120
  H     -10.132697      4.989822      4.635883
  H     -11.893084      4.494889      2.965272
  H     -10.466764      0.959419      0.418006
  H      -8.333257     -0.394253      0.337805
  H      -6.462902      0.220651      1.884746
  N      -5.203520      2.035110      4.282605
  H      -6.108425      2.042499      3.655565
100
Coordinates from ORCA-job orca E -6429.402786054717
  N      -3.133418      0.155089      5.112202
  Mo     -4.012341      1.882069      5.475633
  N      -5.180639      1.907630      7.074975
  C      -4.620930      1.973921      8.424287
  C      -3.289805      1.240395      8.456145
  N      -2.483188      1.651899      7.283242
  C      -1.500489      0.620736      6.872721
  C      -2.209030     -0.458205      6.077308
  C      -1.851660      2.984818      7.453005
  C      -1.691874      3.623981      6.079354
  N      -2.974057      3.578721      5.359937
  H      -1.445919     -1.079286      5.552581
  H      -2.777262     -1.158056      6.737999
  H      -0.754701      1.110164      6.226014
  H      -0.972208      0.204618      7.748075
  H      -1.365966      4.673247      6.203378
  H      -0.904644      3.115482      5.493047
  H      -2.525355      3.609622      8.059399
  H      -0.891407      2.896872      7.984858
  H      -5.317041      1.500966      9.142947
  H      -4.502369      3.029766      8.749731
  H      -3.473425      0.156762      8.372522
  H      -2.745493      1.425533      9.398812
  C      -3.486788     -0.790680      4.035585
  C      -2.435898     -0.769863      2.890198
  C      -2.693941      0.325878      1.869605
  O      -3.926244     -0.048509      1.200046
  C      -4.303859      0.444023      0.001315
  C      -5.201093     -0.337828     -0.716716
  C      -5.728444      0.124742     -1.929005
  N      -5.440949      1.292951     -2.469239
  C      -4.563855      2.078157     -1.782553
  C      -4.262272      3.358538     -2.304683
  C      -3.403798      4.187780     -1.617093
  C      -2.841654      3.728043     -0.404652
  N      -3.093221      2.545756      0.127652
  C      -3.943117      1.714602     -0.538499
  C      -3.348819      4.927229      4.908182
  C      -4.593480      5.070768      4.039163
  C      -4.319906      4.821307      2.562716
  O      -5.447316      4.361394      1.798417
  C      -6.469408      5.188723      1.521921
  C      -6.688258      6.440394      2.078886
  C      -7.872920      7.142302      1.767351
  N      -8.820047      6.716758      0.951496
  C      -8.581840      5.525358      0.324723
  C      -9.519323      5.054672     -0.624521
  C      -9.250905      3.893311     -1.314575
  C      -8.046827      3.196704     -1.044119
  N      -7.163044      3.572783     -0.134066
  C      -7.418463      4.718991      0.551106
  C      -6.603363      2.231297      7.027000
  C      -6.868824      3.754588      6.999692
  C      -8.053241      4.131509      6.122596
  O      -7.765521      3.620906      4.798088
  C      -8.782145      3.494260      3.923261
  C      -9.964117      4.215636      3.951633
  C     -10.944283      3.947514      2.980111
  N     -10.847614      3.017517      2.043053
  C      -9.691318      2.292107      2.006587
  C      -9.545279      1.246627      1.057168
  C      -8.379423      0.507451      1.014778
  C      -7.344796      0.831246      1.905345
  N      -7.446076      1.791447      2.818692
  C      -8.603687      2.511559      2.897114
  H      -3.565443     -1.807379      4.471132
  H      -4.474443     -0.536184      3.631482
  H      -1.422112     -0.610275      3.315333
  H      -2.420345     -1.754231      2.363760
  H      -1.881030      0.398494      1.124465
  H      -2.811516      1.311392      2.346794
  H      -5.489799     -1.306353     -0.326919
  H      -6.431081     -0.506151     -2.483003
  H      -4.741308      3.654712     -3.241893
  H      -3.158310      5.185156     -1.987614
  H      -2.159717      4.376725      0.157581
  H      -2.481831      5.380151      4.380264
  H      -3.492467      5.539403      5.820966
  H      -4.942109      6.095721      4.188342
  H      -5.399760      4.416385      4.377439
  H      -3.589509      4.013242      2.443555
  H      -3.919242      5.722673      2.084255
  H      -5.984066      6.891010      2.769298
  H      -8.044968      8.112185      2.242541
  H     -10.423450      5.644298     -0.793056
  H      -9.941870      3.511804     -2.063087
  H      -7.797746      2.292267     -1.608172
  H      -7.107780      1.770020      7.891343
  H      -7.016455      1.773776      6.117711
  H      -5.967534      4.258717      6.603921
  H      -7.041720      4.159197      8.013738
  H      -8.170070      5.226511      6.085474
  H      -9.000681      3.684231      6.476628
  H     -10.147566      4.985748      4.698813
  H     -11.865936      4.537721      2.992680
  H     -10.369079      1.058278      0.377668
  H      -8.231587     -0.301003      0.292647
  H      -6.392342      0.290382      1.868928
  N      -5.274670      1.958409      4.310851
  H      -6.202688      1.924411      3.717701
100
Coordinates from ORCA-job orca E -6429.405016174742
  N      -3.101995      0.176332      5.107277
  Mo     -3.987698      1.897562      5.480475
  N      -5.169518      1.898171      7.065347
  C      -4.618077      1.945005      8.418113
  C      -3.283794      1.218997      8.452245
  N      -2.471360      1.652570      7.296007
  C      -1.478729      0.638622      6.875913
  C      -2.173002     -0.431651      6.060385
  C      -1.850882      2.982383      7.490179
  C      -1.686695      3.639851      6.130113
  N      -2.963377      3.591992      5.395640
  H      -1.413947     -1.027553      5.528547
  H      -2.725186     -1.140962      6.704189
  H      -0.736823      1.144479      6.242660
  H      -0.949782      0.213931      7.746494
  H      -1.371751      4.685052      6.273173
  H      -0.890303      3.149278      5.545608
  H      -2.532959      3.590500      8.098699
  H      -0.892021      2.896045      8.029226
  H      -5.315671      1.459147      9.122344
  H      -4.506537      2.992979      8.760246
  H      -3.460342      0.139062      8.349733
  H      -2.748395      1.391539      9.401889
  C      -3.456076     -0.767690      4.034207
  C      -2.425780     -0.753251      2.887638
  C      -2.697887      0.337366      1.866602
  O      -3.931496     -0.047355      1.209551
  C      -4.319591      0.440509      0.009710
  C      -5.197732     -0.363014     -0.707589
  C      -5.724809      0.086359     -1.927916
  N      -5.451629      1.261671     -2.476649
  C      -4.590416      2.066215     -1.791105
  C      -4.291898      3.344097     -2.325473
  C      -3.445986      4.187432     -1.641012
  C      -2.893632      3.746505     -0.418130
  N      -3.139883      2.565586      0.125282
  C      -3.976267      1.718725     -0.538256
  C      -3.345932      4.935033      4.941657
  C      -4.584713      5.073226      4.066883
  C      -4.303361      4.806649      2.586356
  O      -5.434447      4.347527      1.821540
  C      -6.444479      5.189358      1.533659
  C      -6.646977      6.449836      2.079227
  C      -7.818218      7.166976      1.751821
  N      -8.765544      6.748248      0.929762
  C      -8.541512      5.548895      0.312993
  C      -9.475438      5.086553     -0.645927
  C      -9.219137      3.918853     -1.328479
  C      -8.032983      3.207049     -1.039810
  N      -7.152266      3.574542     -0.120807
  C      -7.394118      4.727139      0.556742
  C      -6.596726      2.228663      7.004799
  C      -6.870693      3.751039      6.977842
  C      -8.056443      4.125647      6.100710
  O      -7.777758      3.611538      4.775930
  C      -8.804763      3.484973      3.909133
  C      -9.982334      4.210402      3.941035
  C     -10.976399      3.938742      2.976132
  N     -10.895655      3.003664      2.043136
  C      -9.744838      2.273970      2.005198
  C      -9.616603      1.222678      1.063497
  C      -8.458599      0.478376      1.023021
  C      -7.416641      0.797502      1.912322
  N      -7.504277      1.761714      2.818440
  C      -8.647441      2.493174      2.890252
  H      -3.526199     -1.781376      4.469002
  H      -4.447321     -0.513776      3.640341
  H      -1.414493     -0.598958      3.298398
  H      -2.419362     -1.730117      2.376366
  H      -1.894163      0.409457      1.119827
  H      -2.818578      1.323812      2.335054
  H      -5.467983     -1.343087     -0.312511
  H      -6.410885     -0.563102     -2.482456
  H      -4.759090      3.623065     -3.270917
  H      -3.200477      5.180253     -2.021851
  H      -2.218978      4.405116      0.140734
  H      -2.484987      5.388862      4.416794
  H      -3.493427      5.544549      5.851594
  H      -4.933855      6.104236      4.208206
  H      -5.392988      4.416652      4.414207
  H      -3.580796      3.985373      2.474936
  H      -3.885708      5.705441      2.098479
  H      -5.939018      6.896453      2.772368
  H      -7.977860      8.145160      2.218247
  H     -10.366487      5.688520     -0.829136
  H      -9.907424      3.542836     -2.086351
  H      -7.794600      2.297469     -1.598226
  H      -7.110040      1.764775      7.864311
  H      -7.002998      1.777942      6.091858
  H      -5.973050      4.258962      6.588936
  H      -7.049952      4.150619      7.988877
  H      -8.176380      5.218819      6.060164
  H      -8.999671      3.677167      6.457816
  H     -10.153508      4.986521      4.685820
  H     -11.896057      4.531205      2.992279
  H     -10.451019      1.032624      0.389479
  H      -8.326188     -0.334332      0.308346
  H      -6.473581      0.247355      1.884016
  N      -5.221068      1.988278      4.294467
  H      -6.140421      1.960911      3.685601
100
Coordinates from ORCA-job orca E -6429.403766423892
  N      -3.127026      0.193555      5.091190
  Mo     -4.003017      1.916656      5.481956
  N      -5.165182      1.919895      7.081116
  C      -4.603892      1.955166      8.428981
  C      -3.276656      1.218442      8.445953
  N      -2.472488      1.652633      7.285780
  C      -1.488309      0.636891      6.854674
  C      -2.196326     -0.426580      6.044211
  C      -1.845079      2.978152      7.480216
  C      -1.675155      3.634456      6.117176
  N      -2.956299      3.600260      5.384429
  H      -1.441763     -1.032331      5.509187
  H      -2.755552     -1.130511      6.694903
  H      -0.748651      1.140434      6.218338
  H      -0.955582      0.207624      7.720601
  H      -1.350441      4.677596      6.256990
  H      -0.882984      3.135183      5.529547
  H      -2.527546      3.591779      8.086684
  H      -0.886623      2.885729      8.024817
  H      -5.300016      1.470793      9.134137
  H      -4.482559      2.998940      8.776233
  H      -3.465737      0.142665      8.335054
  H      -2.728500      1.376842      9.390155
  C      -3.511203     -0.751552      4.027766
  C      -2.499179     -0.797016      2.884189
  C      -2.726821      0.286834      1.849897
  O      -3.976830     -0.054105      1.194215
  C      -4.347565      0.469900     -0.000370
  C      -5.245211     -0.292479     -0.734398
  C      -5.750996      0.192719     -1.954725
  N      -5.437950      1.364335     -2.489785
  C      -4.557097      2.128812     -1.788724
  C      -4.207386      3.393392     -2.312683
  C      -3.335706      4.191556     -1.617362
  C      -2.811277      3.722183     -0.391430
  N      -3.104365      2.552061      0.143813
  C      -3.964143      1.745700     -0.533069
  C      -3.339780      4.957210      4.928550
  C      -4.580350      5.092524      4.058439
  C      -4.300678      4.858843      2.576643
  O      -5.422113      4.390850      1.806568
  C      -6.443524      5.217718      1.523276
  C      -6.654255      6.479448      2.057172
  C      -7.834329      7.179752      1.728922
  N      -8.784410      6.742466      0.919537
  C      -8.555602      5.537622      0.319789
  C      -9.495752      5.049327     -0.619002
  C      -9.237901      3.872908     -1.280506
  C      -8.043392      3.178260     -0.991199
  N      -7.154688      3.571969     -0.092411
  C      -7.398204      4.733116      0.564285
  C      -6.594343      2.253639      7.021044
  C      -6.884113      3.772238      6.981968
  C      -8.065129      4.119477      6.093772
  O      -7.761095      3.608721      4.770786
  C      -8.780240      3.459812      3.900155
  C      -9.963112      4.177352      3.921131
  C     -10.963926      3.879610      2.964878
  N     -10.883136      2.928223      2.049943
  C      -9.725381      2.208677      2.020338
  C      -9.600103      1.144645      1.096663
  C      -8.434816      0.413903      1.060343
  C      -7.386295      0.754235      1.940263
  N      -7.474596      1.726124      2.835426
  C      -8.621178      2.450836      2.898825
  H      -3.605657     -1.748880      4.481009
  H      -4.494426     -0.474015      3.634412
  H      -1.485085     -0.695225      3.283163
  H      -2.547935     -1.769925      2.394289
  H      -1.922035      0.311693      1.108100
  H      -2.807751      1.285137      2.301194
  H      -5.544628     -1.271083     -0.352080
  H      -6.451782     -0.425993     -2.521922
  H      -4.654045      3.694508     -3.261161
  H      -3.047221      5.168797     -1.991822
  H      -2.115099      4.342993      0.175560
  H      -2.473245      5.409950      4.387151
  H      -3.482797      5.581720      5.847140
  H      -4.941695      6.109649      4.216894
  H      -5.374352      4.423171      4.388962
  H      -3.563111      4.060654      2.456925
  H      -3.905594      5.767697      2.102096
  H      -5.944869      6.941636      2.739357
  H      -7.998509      8.161919      2.183486
  H     -10.394842      5.638489     -0.802257
  H      -9.932760      3.475259     -2.022221
  H      -7.805945      2.259659     -1.530518
  H      -7.107525      1.791253      7.884373
  H      -7.000099      1.798463      6.111873
  H      -6.000942      4.288766      6.591646
  H      -7.074197      4.174051      7.983824
  H      -8.220007      5.210055      6.043977
  H      -8.988645      3.644307      6.446035
  H     -10.136199      4.964887      4.653944
  H     -11.889795      4.463777      2.974708
  H     -10.444585      0.933900      0.432651
  H      -8.304277     -0.406475      0.358861
  H      -6.440726      0.211141      1.914423
  N      -5.244169      2.026640      4.298775
  H      -6.150729      2.071446      3.675388
100
Coordinates from ORCA-job orca E -6429.405298526693
  N      -3.115723      0.176101      5.103339
  Mo     -4.000518      1.897809      5.473326
  N      -5.158652      1.906140      7.076499
  C      -4.590438      1.958532      8.421719
  C      -3.257519      1.231209      8.439985
  N      -2.460233      1.661338      7.272420
  C      -1.470188      0.648016      6.847269
  C      -2.171067     -0.427091      6.044341
  C      -1.840720      2.993382      7.454779
  C      -1.691171      3.644656      6.089074
  N      -2.976092      3.592419      5.370644
  H      -1.417123     -1.021455      5.502421
  H      -2.712917     -1.135272      6.698458
  H      -0.734405      1.151951      6.206092
  H      -0.934265      0.228188      7.715801
  H      -1.376305      4.692121      6.222485
  H      -0.901640      3.151071      5.496139
  H      -2.519748      3.604915      8.065189
  H      -0.877529      2.912120      7.987890
  H      -5.280264      1.476538      9.136177
  H      -4.473764      3.007896      8.757802
  H      -3.439103      0.151928      8.340360
  H      -2.707873      1.403200      9.381314
  C      -3.494548     -0.776212      4.046367
  C      -2.479075     -0.800574      2.892473
  C      -2.716715      0.293218      1.867097
  O      -3.966095     -0.046909      1.212721
  C      -4.333615      0.469870      0.017280
  C      -5.227451     -0.297069     -0.717887
  C      -5.727763      0.183203     -1.936810
  N      -5.413939      1.354961     -2.468416
  C      -4.537256      2.124715     -1.765560
  C      -4.191614      3.396141     -2.283433
  C      -3.324739      4.202622     -1.584317
  C      -2.800352      3.732239     -0.362118
  N      -3.091411      2.556322      0.166946
  C      -3.947734      1.744571     -0.512178
  C      -3.375641      4.936102      4.924615
  C      -4.615067      5.066280      4.050766
  C      -4.320031      4.819563      2.569735
  O      -5.441916      4.360467      1.792692
  C      -6.454754      5.199047      1.503706
  C      -6.656737      6.463991      2.038767
  C      -7.826562      7.179448      1.701942
  N      -8.773771      6.754470      0.882484
  C      -8.553035      5.547014      0.280933
  C      -9.489035      5.073288     -0.670271
  C      -9.236590      3.895489     -1.336047
  C      -8.052508      3.184578     -1.037681
  N      -7.169650      3.563985     -0.126006
  C      -7.407187      4.726710      0.534441
  C      -6.587632      2.229367      7.030380
  C      -6.874177      3.749518      6.995668
  C      -8.069285      4.100067      6.124518
  O      -7.781406      3.597995      4.797155
  C      -8.805592      3.467283      3.927115
  C      -9.978400      4.198164      3.951662
  C     -10.973927      3.923611      2.987284
  N     -10.898864      2.980571      2.062454
  C      -9.751457      2.246114      2.031151
  C      -9.629047      1.188229      1.097208
  C      -8.470011      0.444810      1.058220
  C      -7.421853      0.769625      1.941644
  N      -7.506875      1.736383      2.845282
  C      -8.651591      2.468225      2.915171
  H      -3.573817     -1.778941      4.498094
  H      -4.483826     -0.511704      3.657937
  H      -1.460249     -0.688787      3.291128
  H      -2.518270     -1.776773      2.387236
  H      -1.912537      0.331090      1.119402
  H      -2.800819      1.286637      2.330353
  H      -5.529073     -1.273515     -0.337556
  H      -6.426616     -0.437951     -2.505367
  H      -4.639338      3.699001     -3.229238
  H      -3.041477      5.188188     -1.953599
  H      -2.109206      4.360225      0.208598
  H      -2.518741      5.398259      4.396634
  H      -3.526013      5.542361      5.839171
  H      -4.981992      6.089586      4.201808
  H      -5.412864      4.391046      4.384968
  H      -3.591496      4.004261      2.456458
  H      -3.903295      5.725475      2.095099
  H      -5.948502      6.916816      2.727977
  H      -7.984648      8.163160      2.157367
  H     -10.378786      5.674763     -0.861274
  H      -9.926297      3.510468     -2.088255
  H      -7.817716      2.265777     -1.581562
  H      -7.088041      1.768948      7.900944
  H      -7.003902      1.768057      6.127873
  H      -5.986898      4.266173      6.594509
  H      -7.051813      4.155081      8.004979
  H      -8.217393      5.190507      6.087513
  H      -8.998378      3.626616      6.484594
  H     -10.145226      4.979696      4.691088
  H     -11.889341      4.520035      2.997032
  H     -10.467670      0.992814      0.427281
  H      -8.340893     -0.371123      0.347486
  H      -6.475950      0.221591      1.909648
  N      -5.244618      1.980946      4.293638
  H      -6.160965      1.984147      3.680851
100
Coordinates from ORCA-job orca E -6429.404989496124
  N      -3.102755      0.167723      5.121918
  Mo     -3.997498      1.882436      5.504348
  N      -5.165462      1.889242      7.097827
  C      -4.602482      1.942986      8.445268
  C      -3.267297      1.219950      8.473608
  N      -2.463655      1.648311      7.310809
  C      -1.473862      0.633037      6.890043
  C      -2.173494     -0.438848      6.081781
  C      -1.845741      2.979381      7.489917
  C      -1.688602      3.623314      6.122505
  N      -2.969569      3.568072      5.392914
  H      -1.416241     -1.043064      5.552739
  H      -2.728971     -1.140909      6.732790
  H      -0.734966      1.135333      6.251098
  H      -0.940678      0.211486      7.759855
  H      -1.374097      4.668482      6.254421
  H      -0.893648      3.128293      5.539454
  H      -2.527589      3.591529      8.094402
  H      -0.883553      2.901380      8.027461
  H      -5.292332      1.459863      9.156410
  H      -4.490335      2.990718      8.782100
  H      -3.442842      0.140633      8.376261
  H      -2.726146      1.396000      9.419493
  C      -3.445591     -0.770177      4.039032
  C      -2.418710     -0.739873      2.893880
  C      -2.695162      0.363441      1.887548
  O      -3.928030     -0.016135      1.227452
  C      -4.324797      0.475194      0.031442
  C      -5.212649     -0.326343     -0.677836
  C      -5.741605      0.117069     -1.901388
  N      -5.461040      1.285407     -2.461423
  C      -4.593390      2.089346     -1.783319
  C      -4.286434      3.359196     -2.331022
  C      -3.431528      4.202353     -1.657268
  C      -2.878479      3.768952     -0.430291
  N      -3.132380      2.595152      0.126172
  C      -3.977118      1.748112     -0.527482
  C      -3.346125      4.906285      4.910203
  C      -4.597056      5.028032      4.048648
  C      -4.327725      4.765081      2.566508
  O      -5.466068      4.319813      1.801268
  C      -6.467577      5.171082      1.512354
  C      -6.657878      6.434667      2.053822
  C      -7.816876      7.166545      1.715995
  N      -8.761440      6.760626      0.886431
  C      -8.548978      5.556800      0.274653
  C      -9.478617      5.107142     -0.692965
  C      -9.231034      3.936011     -1.373608
  C      -8.059022      3.207891     -1.074198
  N      -7.183454      3.562775     -0.145786
  C      -7.416348      4.719000      0.530094
  C      -6.592934      2.229417      7.040498
  C      -6.865864      3.750256      6.990535
  C      -8.054635      4.119747      6.114559
  O      -7.783351      3.585309      4.797534
  C      -8.807045      3.472027      3.926930
  C      -9.993327      4.189709      3.968217
  C     -10.980317      3.931627      2.993206
  N     -10.887432      3.014385      2.044058
  C      -9.731286      2.288361      1.999741
  C      -9.595113      1.248681      1.046362
  C      -8.438851      0.503715      1.005616
  C      -7.402224      0.811895      1.904333
  N      -7.495626      1.766296      2.819421
  C      -8.639648      2.496795      2.893183
  H      -3.506905     -1.789116      4.463981
  H      -4.439636     -0.521881      3.647527
  H      -1.406844     -0.592309      3.301211
  H      -2.413981     -1.709058      2.373813
  H      -1.893147      0.445209      1.143070
  H      -2.817730      1.344128      2.364632
  H      -5.485223     -1.303218     -0.275946
  H      -6.433055     -0.533816     -2.449981
  H      -4.754147      3.632203     -3.279176
  H      -3.178415      5.188590     -2.049614
  H      -2.196444      4.428228      0.120559
  H      -2.487242      5.340084      4.358969
  H      -3.473071      5.542545      5.810611
  H      -4.959329      6.049728      4.193695
  H      -5.389949      4.361357      4.401882
  H      -3.612478      3.941057      2.450295
  H      -3.904923      5.658565      2.082452
  H      -5.948046      6.874678      2.748691
  H      -7.966042      8.148591      2.177650
  H     -10.358436      5.721837     -0.885568
  H      -9.915016      3.570038     -2.139676
  H      -7.825787      2.296971     -1.634417
  H      -7.103194      1.783149      7.909605
  H      -7.007743      1.767982      6.137991
  H      -5.972735      4.250214      6.596410
  H      -7.041897      4.159366      7.991821
  H      -8.177275      5.213601      6.058737
  H      -8.995165      3.676683      6.483619
  H     -10.176614      4.950912      4.726187
  H     -11.905949      4.519692      3.016604
  H     -10.425318      1.065419      0.366037
  H      -8.303249     -0.300851      0.282912
  H      -6.460861      0.260711      1.877771
  N      -5.235302      1.964007      4.324917
  H      -6.163106      1.913823      3.725694
100
Coordinates from ORCA-job orca E -6429.405488727994
  N      -3.113115      0.164976      5.120667
  Mo     -4.003802      1.883422      5.485190
  N      -5.157309      1.897082      7.091351
  C      -4.580211      1.960768      8.432691
  C      -3.243747      1.236797      8.449794
  N      -2.448846      1.662543      7.278067
  C      -1.457979      0.648419      6.854577
  C      -2.158173     -0.429762      6.053724
  C      -1.831576      2.997143      7.448002
  C      -1.693460      3.640725      6.077752
  N      -2.983428      3.579428      5.369032
  H      -1.406389     -1.016021      5.505220
  H      -2.689204     -1.142371      6.708516
  H      -0.722016      1.151561      6.212492
  H      -0.921300      0.230614      7.723817
  H      -1.380256      4.690356      6.202268
  H      -0.906347      3.146018      5.482574
  H      -2.506208      3.609724      8.060646
  H      -0.863797      2.922823      7.971854
  H      -5.264053      1.481474      9.155285
  H      -4.464821      3.013157      8.761000
  H      -3.422107      0.156059      8.356067
  H      -2.693422      1.414830      9.389772
  C      -3.481307     -0.787972      4.060260
  C      -2.465340     -0.789820      2.901278
  C      -2.705272      0.320313      1.892854
  O      -3.951965     -0.019010      1.236782
  C      -4.326862      0.493422      0.040306
  C      -5.235227     -0.271630     -0.683282
  C      -5.748768      0.205158     -1.903067
  N      -5.434495      1.372377     -2.446602
  C      -4.543562      2.139335     -1.755503
  C      -4.197713      3.406541     -2.286155
  C      -3.314370      4.209298     -1.601184
  C      -2.772914      3.739334     -0.379361
  N      -3.065644      2.568876      0.162378
  C      -3.938389      1.760957     -0.502711
  C      -3.383218      4.920271      4.909442
  C      -4.628453      5.035676      4.040712
  C      -4.326633      4.797789      2.562023
  O      -5.442603      4.346417      1.774931
  C      -6.445928      5.193454      1.481322
  C      -6.630140      6.465067      2.007052
  C      -7.788575      7.195353      1.662595
  N      -8.740785      6.777905      0.844512
  C      -8.538883      5.560935      0.255031
  C      -9.483454      5.091766     -0.691146
  C      -9.250408      3.903147     -1.343947
  C      -8.076169      3.179147     -1.039330
  N      -7.186487      3.553346     -0.130985
  C      -7.405707      4.725643      0.517008
  C      -6.587795      2.217976      7.049953
  C      -6.881483      3.737209      7.004133
  C      -8.085694      4.074947      6.138419
  O      -7.807273      3.566874      4.811850
  C      -8.830586      3.450466      3.937244
  C     -10.008024      4.179655      3.968596
  C     -10.995856      3.923121      2.990783
  N     -10.909866      2.997870      2.047568
  C      -9.761001      2.261106      2.013026
  C      -9.630285      1.215772      1.064355
  C      -8.477602      0.464213      1.029814
  C      -7.441573      0.769462      1.931095
  N      -7.530955      1.727135      2.843956
  C      -8.670312      2.465820      2.910632
  H      -3.544747     -1.797454      4.505412
  H      -4.477321     -0.537504      3.675983
  H      -1.445145     -0.678935      3.300815
  H      -2.502174     -1.759833      2.378833
  H      -1.900225      0.374353      1.143092
  H      -2.793771      1.306465      2.371834
  H      -5.537999     -1.244116     -0.293837
  H      -6.458849     -0.414879     -2.461622
  H      -4.658652      3.709625     -3.230911
  H      -3.030024      5.191180     -1.981213
  H      -2.069370      4.365356      0.179865
  H      -2.527039      5.375106      4.369045
  H      -3.528165      5.539273      5.818218
  H      -5.014352      6.049792      4.195232
  H      -5.412639      4.345574      4.372117
  H      -3.601165      3.983521      2.451650
  H      -3.905371      5.703681      2.095287
  H      -5.914326      6.913787      2.691956
  H      -7.932055      8.185084      2.109572
  H     -10.364327      5.704196     -0.888371
  H      -9.947842      3.520123     -2.091328
  H      -7.854518      2.254446     -1.576206
  H      -7.080972      1.764679      7.927458
  H      -7.008545      1.747900      6.153139
  H      -5.998483      4.256606      6.597213
  H      -7.056158      4.148743      8.012874
  H      -8.241821      5.162480      6.098145
  H      -9.008296      3.597780      6.507502
  H     -10.183827      4.947618      4.721985
  H     -11.916206      4.518556      3.006539
  H     -10.458930      1.035387      0.381159
  H      -8.345094     -0.343708      0.309867
  H      -6.502671      0.214556      1.906644
  N      -5.250624      1.954351      4.309829
  H      -6.177985      1.937854      3.708719
100
Coordinates from ORCA-job orca E -6429.403714353284
  N      -3.123957      0.173200      5.105712
  Mo     -4.026916      1.883513      5.478571
  N      -5.154277      1.891643      7.102989
  C      -4.564630      1.961607      8.437437
  C      -3.229509      1.243846      8.441613
  N      -2.453906      1.670068      7.260975
  C      -1.463625      0.659742      6.834940
  C      -2.170701     -0.425244      6.052735
  C      -1.846769      3.008296      7.423616
  C      -1.721097      3.648322      6.051348
  N      -3.013697      3.577464      5.345812
  H      -1.416343     -1.034610      5.510396
  H      -2.714520     -1.124023      6.727981
  H      -0.734872      1.159135      6.182749
  H      -0.919883      0.249341      7.703222
  H      -1.417200      4.698953      6.173484
  H      -0.933069      3.159719      5.452978
  H      -2.525927      3.619396      8.035028
  H      -0.876160      2.943736      7.948504
  H      -5.238986      1.482937      9.168143
  H      -4.449565      3.014546      8.761130
  H      -3.406117      0.163610      8.350876
  H      -2.667362      1.424530      9.373822
  C      -3.494807     -0.779554      4.047982
  C      -2.491669     -0.795509      2.892627
  C      -2.735509      0.301635      1.875712
  O      -3.986445     -0.027477      1.211827
  C      -4.331426      0.508405      0.021664
  C      -5.229114     -0.233580     -0.726797
  C      -5.691849      0.262437     -1.945594
  N      -5.337928      1.428115     -2.466204
  C      -4.456079      2.173578     -1.750390
  C      -4.056769      3.431606     -2.258982
  C      -3.176403      4.209330     -1.550628
  C      -2.694698      3.725877     -0.327307
  N      -3.035257      2.560235      0.194100
  C      -3.904136      1.775734     -0.494955
  C      -3.428248      4.908667      4.879688
  C      -4.668473      5.024312      4.007378
  C      -4.349372      4.778667      2.531022
  O      -5.464118      4.339721      1.734119
  C      -6.466068      5.188021      1.438864
  C      -6.661522      6.451512      1.975217
  C      -7.829343      7.170972      1.639876
  N      -8.783745      6.748452      0.825879
  C      -8.570398      5.538584      0.227523
  C      -9.520514      5.058766     -0.706978
  C      -9.274742      3.877234     -1.368889
  C      -8.079976      3.171637     -1.086721
  N      -7.186880      3.555184     -0.187947
  C      -7.421372      4.718497      0.472125
  C      -6.582962      2.214391      7.080353
  C      -6.864796      3.731533      7.032942
  C      -8.068153      4.072768      6.176571
  O      -7.786999      3.544512      4.858422
  C      -8.805559      3.442160      3.985904
  C      -9.958974      4.189521      4.018730
  C     -10.958991      3.942265      3.050997
  N     -10.908994      3.009531      2.117705
  C      -9.780399      2.258527      2.079660
  C      -9.685141      1.213460      1.134362
  C      -8.528846      0.464951      1.073046
  C      -7.466381      0.764637      1.953382
  N      -7.533351      1.711676      2.876845
  C      -8.670020      2.454792      2.961873
  H      -3.555211     -1.780451      4.497025
  H      -4.489237     -0.528832      3.670553
  H      -1.468408     -0.692038      3.285030
  H      -2.537944     -1.766684      2.385850
  H      -1.931706      0.340166      1.134874
  H      -2.817241      1.292339      2.343363
  H      -5.557746     -1.207860     -0.358392
  H      -6.392413     -0.340218     -2.525593
  H      -4.470638      3.743777     -3.207086
  H      -2.848973      5.181787     -1.914392
  H      -1.991135      4.328645      0.249325
  H      -2.582809      5.362090      4.344977
  H      -3.574963      5.519369      5.779471
  H      -5.060907      6.045373      4.155489
  H      -5.454018      4.326934      4.340095
  H      -3.635033      3.944113      2.426749
  H      -3.902719      5.683055      2.067542
  H      -5.950411      6.900915      2.663952
  H      -7.982809      8.154712      2.095727
  H     -10.416721      5.657353     -0.887264
  H      -9.976897      3.485505     -2.106391
  H      -7.847417      2.251793     -1.630301
  H      -7.066480      1.768974      7.966127
  H      -7.020034      1.743243      6.197523
  H      -5.981538      4.241916      6.613858
  H      -7.028975      4.149530      8.036773
  H      -8.218133      5.167493      6.124148
  H      -8.993200      3.603708      6.555574
  H     -10.109912      4.962941      4.766153
  H     -11.856126      4.554419      3.064323
  H     -10.535387      1.036863      0.466836
  H      -8.414506     -0.336743      0.347659
  H      -6.521336      0.212536      1.898374
  N      -5.288602      1.949366      4.307192
  H      -6.213731      1.984538      3.709286
100
Coordinates from ORCA-job orca E -6429.405772023948
  N      -3.120061      0.156573      5.123690
  Mo     -4.014364      1.872965      5.486268
  N      -5.148088      1.896956      7.106354
  C      -4.557066      1.972824      8.440857
  C      -3.221214      1.249855      8.449277
  N      -2.439625      1.666944      7.265688
  C      -1.451837      0.650444      6.841795
  C      -2.158819     -0.434764      6.057086
  C      -1.823917      3.004192      7.418405
  C      -1.699970      3.636248      6.040734
  N      -2.996336      3.566577      5.344573
  H      -1.410530     -1.028615      5.507201
  H      -2.687836     -1.140339      6.724275
  H      -0.722034      1.148249      6.188866
  H      -0.908020      0.240334      7.710144
  H      -1.388935      4.687236      6.153389
  H      -0.917544      3.138159      5.441951
  H      -2.495629      3.621780      8.030576
  H      -0.851546      2.936717      7.936312
  H      -5.232799      1.499769      9.174834
  H      -4.439100      3.027831      8.758575
  H      -3.401033      0.168733      8.364829
  H      -2.660559      1.434060      9.382000
  C      -3.495913     -0.797319      4.065579
  C      -2.488207     -0.810775      2.904534
  C      -2.713013      0.304671      1.900589
  O      -3.965624     -0.004412      1.239364
  C      -4.320475      0.525179      0.046969
  C      -5.229771     -0.219468     -0.692694
  C      -5.713011      0.271965     -1.913745
  N      -5.369499      1.436029     -2.443706
  C      -4.479546      2.185195     -1.735830
  C      -4.102643      3.449584     -2.251362
  C      -3.216963      4.234248     -1.550823
  C      -2.705329      3.749035     -0.328010
  N      -3.027884      2.580339      0.200298
  C      -3.902766      1.790023     -0.480494
  C      -3.405693      4.901382      4.878128
  C      -4.657713      5.001523      4.016695
  C      -4.356995      4.766787      2.534827
  O      -5.476674      4.323561      1.743372
  C      -6.479825      5.171692      1.452433
  C      -6.666111      6.440715      1.981930
  C      -7.824007      7.172160      1.636060
  N      -8.773041      6.759051      0.813251
  C      -8.568168      5.544143      0.220329
  C      -9.506808      5.079634     -0.732498
  C      -9.267842      3.893827     -1.391475
  C      -8.094599      3.166488     -1.085153
  N      -7.210765      3.536963     -0.170972
  C      -7.435505      4.707329      0.482943
  C      -6.578504      2.219612      7.077415
  C      -6.871496      3.737627      7.020717
  C      -8.080804      4.072009      6.162304
  O      -7.804753      3.557563      4.839189
  C      -8.826831      3.452177      3.964351
  C      -9.994780      4.191399      3.997102
  C     -10.987893      3.942950      3.022055
  N     -10.917552      3.015212      2.081903
  C      -9.777861      2.268393      2.046463
  C      -9.665918      1.218837      1.102579
  C      -8.516982      0.462272      1.061802
  C      -7.467461      0.764892      1.952432
  N      -7.543485      1.722462      2.865678
  C      -8.678992      2.466980      2.938034
  H      -3.561909     -1.803367      4.514636
  H      -4.491062     -0.542955      3.683933
  H      -1.464251     -0.722843      3.298175
  H      -2.546614     -1.776811      2.380245
  H      -1.909452      0.344550      1.153309
  H      -2.781079      1.289181      2.381796
  H      -5.553605     -1.189824     -0.316232
  H      -6.422845     -0.333640     -2.485921
  H      -4.541726      3.765181     -3.198022
  H      -2.908574      5.213301     -1.919735
  H      -2.000182      4.360120      0.244176
  H      -2.556686      5.353703      4.326411
  H      -3.542627      5.527062      5.784005
  H      -5.058595      6.008240      4.174110
  H      -5.429310      4.298228      4.350321
  H      -3.634681      3.947905      2.419834
  H      -3.927968      5.672023      2.073383
  H      -5.952843      6.887083      2.669992
  H      -7.969441      8.160456      2.085407
  H     -10.386818      5.693954     -0.931391
  H      -9.959162      3.515416     -2.145283
  H      -7.868591      2.242249     -1.625993
  H      -7.062943      1.776728      7.965287
  H      -7.010522      1.740658      6.192029
  H      -5.992407      4.252617      6.604680
  H      -7.040144      4.155162      8.023865
  H      -8.242031      5.161361      6.117934
  H      -9.001090      3.593534      6.539420
  H     -10.161000      4.959746      4.750379
  H     -11.899128      4.547220      3.037686
  H     -10.504669      1.040040      0.427112
  H      -8.396621     -0.346816      0.342716
  H      -6.528390      0.207575      1.917930
  N      -5.269511      1.931032      4.317581
  H      -6.197792      1.923402      3.719474
100
Coordinates from ORCA-job orca E -6429.405393409162
  N      -3.111829      0.172618      5.118629
  Mo     -4.015955      1.881101      5.504297
  N      -5.157465      1.885693      7.115030
  C      -4.572520      1.947699      8.452131
  C      -3.234381      1.229827      8.460762
  N      -2.448161      1.663139      7.289311
  C      -1.455536      0.656883      6.858316
  C      -2.156884     -0.422163      6.061192
  C      -1.840730      2.997810      7.459869
  C      -1.708389      3.640055      6.091528
  N      -2.999554      3.571080      5.377951
  H      -1.402827     -1.016280      5.516229
  H      -2.692643     -1.130521      6.723104
  H      -0.726754      1.163664      6.212928
  H      -0.911141      0.239996      7.723093
  H      -1.401576      4.687343      6.217414
  H      -0.917387      3.152804      5.498250
  H      -2.520760      3.603788      8.071232
  H      -0.870508      2.931860      7.985728
  H      -5.248356      1.464117      9.176170
  H      -4.459627      2.996950      8.783248
  H      -3.408683      0.150735      8.362156
  H      -2.680841      1.404329      9.399379
  C      -3.470916     -0.779189      4.054934
  C      -2.461913     -0.773920      2.895792
  C      -2.714533      0.341489      1.895410
  O      -3.965560     -0.000827      1.240163
  C      -4.346829      0.510222      0.044572
  C      -5.263599     -0.254772     -0.669383
  C      -5.771078      0.209711     -1.897618
  N      -5.441387      1.364556     -2.459221
  C      -4.545521      2.133082     -1.776290
  C      -4.180479      3.384840     -2.327013
  C      -3.289395      4.189157     -1.652621
  C      -2.761277      3.737691     -0.419717
  N      -3.070728      2.580232      0.140981
  C      -3.948654      1.768903     -0.514695
  C      -3.401653      4.905471      4.903177
  C      -4.643788      5.023125      4.031432
  C      -4.328615      4.780067      2.558327
  O      -5.447725      4.345295      1.765318
  C      -6.442972      5.202532      1.468527
  C      -6.619799      6.476746      1.989354
  C      -7.775491      7.210024      1.643523
  N      -8.729977      6.794026      0.828050
  C      -8.533655      5.574375      0.243215
  C      -9.479839      5.104400     -0.699344
  C      -9.252661      3.910906     -1.343810
  C      -8.083318      3.183713     -1.035514
  N      -7.191996      3.558325     -0.130772
  C      -7.405206      4.735592      0.508378
  C      -6.587902      2.210411      7.077326
  C      -6.880243      3.730707      7.016834
  C      -8.090761      4.061358      6.158191
  O      -7.821218      3.538372      4.834591
  C      -8.841844      3.430662      3.958308
  C     -10.020003      4.159682      3.989562
  C     -10.998258      3.914617      3.001936
  N     -10.900531      3.002061      2.047712
  C      -9.750542      2.265031      2.013479
  C      -9.603578      1.234881      1.049304
  C      -8.446687      0.484600      1.012337
  C      -7.423354      0.776132      1.928841
  N      -7.527960      1.719858      2.856340
  C      -8.670922      2.457118      2.923144
  H      -3.523444     -1.789683      4.494791
  H      -4.470656     -0.536937      3.677594
  H      -1.436909     -0.665366      3.286634
  H      -2.500446     -1.742928      2.374079
  H      -1.910322      0.399466      1.147795
  H      -2.807374      1.329400      2.374810
  H      -5.573451     -1.221603     -0.268631
  H      -6.485560     -0.413215     -2.449974
  H      -4.631720      3.674313     -3.279771
  H      -2.988777      5.158395     -2.049231
  H      -2.052339      4.366607      0.132552
  H      -2.549508      5.350384      4.365457
  H      -3.545139      5.525427      5.798846
  H      -5.037561      6.041679      4.181693
  H      -5.429135      4.328030      4.361529
  H      -3.614587      3.949189      2.451664
  H      -3.885985      5.680856      2.096508
  H      -5.901195      6.925054      2.671023
  H      -7.913847      8.202351      2.085999
  H     -10.357826      5.718710     -0.899045
  H      -9.952758      3.525073     -2.085955
  H      -7.867410      2.254795     -1.565620
  H      -7.078148      1.767628      7.961734
  H      -7.013382      1.733069      6.185117
  H      -6.001678      4.244912      6.593854
  H      -7.043983      4.153853      8.023085
  H      -8.251756      5.148759      6.108602
  H      -9.007408      3.584583      6.540223
  H     -10.202123      4.920896      4.748190
  H     -11.915163      4.513179      3.014595
  H     -10.420997      1.066805      0.353637
  H      -8.300902     -0.311074      0.278555
  H      -6.481314      0.221938      1.903849
  N      -5.266574      1.955522      4.333459
  H      -6.194580      1.942280      3.734838
100
Coordinates from ORCA-job orca E -6429.405949146746
  N      -3.118804      0.156318      5.126306
  Mo     -4.020945      1.867385      5.494752
  N      -5.152166      1.885324      7.115335
  C      -4.557081      1.962170      8.447815
  C      -3.217925      1.245327      8.452997
  N      -2.439366      1.667492      7.270199
  C      -1.449131      0.655275      6.843040
  C      -2.154451     -0.431508      6.058916
  C      -1.829574      3.006327      7.422427
  C      -1.711122      3.639128      6.045998
  N      -3.008804      3.563048      5.351179
  H      -1.405041     -1.023800      5.508025
  H      -2.680327     -1.139120      6.727283
  H      -0.722180      1.155974      6.189378
  H      -0.901959      0.245425      7.709427
  H      -1.403667      4.690836      6.158692
  H      -0.926968      3.145274      5.446609
  H      -2.502373      3.619414      8.036702
  H      -0.854865      2.943945      7.936718
  H      -5.227696      1.485146      9.183231
  H      -4.442556      3.016714      8.766850
  H      -3.392368      0.163800      8.366834
  H      -2.657982      1.430404      9.385972
  C      -3.484029     -0.797674      4.067727
  C      -2.481620     -0.792115      2.902493
  C      -2.717897      0.333400      1.910386
  O      -3.968725      0.015958      1.250581
  C      -4.328864      0.539947      0.056048
  C      -5.244459     -0.207835     -0.675102
  C      -5.731221      0.276022     -1.899827
  N      -5.384807      1.435710     -2.441369
  C      -4.487915      2.186830     -1.741822
  C      -4.103301      3.443302     -2.270416
  C      -3.208473      4.228030     -1.579415
  C      -2.695672      3.751693     -0.352665
  N      -3.024489      2.589837      0.187746
  C      -3.908002      1.799158     -0.483548
  C      -3.417861      4.895879      4.873806
  C      -4.667859      4.992217      4.009982
  C      -4.354589      4.760488      2.533337
  O      -5.466294      4.321452      1.733371
  C      -6.458192      5.179227      1.431506
  C      -6.624915      6.458458      1.943857
  C      -7.774360      7.199028      1.592183
  N      -8.733196      6.784444      0.779652
  C      -8.547456      5.558937      0.203181
  C      -9.498990      5.090758     -0.736618
  C      -9.282258      3.891462     -1.374756
  C      -8.117826      3.156599     -1.061971
  N      -7.221848      3.530061     -0.159690
  C      -7.424565      4.713004      0.473193
  C      -6.583051      2.204605      7.089963
  C      -6.877964      3.720650      7.034469
  C      -8.091307      4.053593      6.180967
  O      -7.822576      3.531442      4.858490
  C      -8.841946      3.433820      3.979995
  C     -10.011660      4.171488      4.013686
  C     -10.996302      3.933820      3.027693
  N     -10.916146      3.017766      2.075726
  C      -9.775367      2.271078      2.040593
  C      -9.652075      1.233042      1.084142
  C      -8.503347      0.474463      1.045990
  C      -7.464869      0.764465      1.951803
  N      -7.549722      1.713382      2.873963
  C      -8.685214      2.459101      2.943799
  H      -3.533826     -1.808380      4.510291
  H      -4.484675     -0.555220      3.693371
  H      -1.457027     -0.701099      3.292029
  H      -2.535845     -1.753241      2.370907
  H      -1.914200      0.389093      1.161540
  H      -2.795591      1.314533      2.401011
  H      -5.569384     -1.176289     -0.290277
  H      -6.445280     -0.332377     -2.465438
  H      -4.541651      3.751415     -3.219828
  H      -2.893026      5.200328     -1.959043
  H      -1.982914      4.362940      0.211323
  H      -2.568906      5.342711      4.320792
  H      -3.556720      5.526893      5.772212
  H      -5.080709      5.996624      4.166090
  H      -5.434051      4.280967      4.339816
  H      -3.635349      3.939221      2.425995
  H      -3.919278      5.665829      2.075568
  H      -5.901492      6.906176      2.621873
  H      -7.904680      8.195393      2.028280
  H     -10.372063      5.711453     -0.940718
  H      -9.985818      3.507671     -2.116194
  H      -7.910858      2.221753     -1.585311
  H      -7.063861      1.761487      7.976791
  H      -7.016319      1.726989      6.205142
  H      -6.000619      4.236141      6.614685
  H      -7.041130      4.138286      8.038974
  H      -8.250580      5.143277      6.134033
  H      -9.011120      3.577981      6.564908
  H     -10.185346      4.931472      4.775100
  H     -11.908407      4.537794      3.043457
  H     -10.482262      1.064692      0.397246
  H      -8.376109     -0.327240      0.318985
  H      -6.527528      0.204668      1.922980
  N      -5.279644      1.922361      4.329671
  H      -6.213981      1.904540      3.739416
100
Coordinates from ORCA-job orca E -6429.405792819888
  N      -3.131246      0.148216      5.128156
  Mo     -4.023403      1.864872      5.491946
  N      -5.137864      1.903345      7.122095
  C      -4.528951      1.991463      8.447463
  C      -3.193988      1.266000      8.446564
  N      -2.422283      1.673691      7.253003
  C      -1.439491      0.653468      6.826758
  C      -2.152824     -0.435418      6.052328
  C      -1.806550      3.011646      7.387247
  C      -1.701650      3.630963      6.001925
  N      -3.007666      3.554381      5.321746
  H      -1.408214     -1.024165      5.492972
  H      -2.668996     -1.143072      6.727085
  H      -0.713701      1.147087      6.166162
  H      -0.889254      0.247097      7.693209
  H      -1.390256      4.681868      6.099170
  H      -0.926130      3.127844      5.398499
  H      -2.471611      3.633373      8.002538
  H      -0.826511      2.949748      7.893793
  H      -5.194991      1.526617      9.195073
  H      -4.406130      3.048828      8.752699
  H      -3.376717      0.185240      8.369682
  H      -2.624459      1.453307      9.373330
  C      -3.522147     -0.809089      4.073371
  C      -2.521060     -0.838220      2.906475
  C      -2.722233      0.292940      1.917065
  O      -3.987684      0.032364      1.258449
  C      -4.324192      0.578446      0.070171
  C      -5.252422     -0.131374     -0.676878
  C      -5.713357      0.380359     -1.898422
  N      -5.332898      1.534714     -2.421528
  C      -4.426756      2.251477     -1.704990
  C      -4.014435      3.508482     -2.210958
  C      -3.110796      4.262591     -1.502826
  C      -2.617685      3.753815     -0.280812
  N      -2.974583      2.591165      0.239665
  C      -3.867381      1.831410     -0.449113
  C      -3.428660      4.882955      4.850011
  C      -4.685341      4.966331      3.992696
  C      -4.373117      4.741201      2.511689
  O      -5.488971      4.303383      1.710021
  C      -6.490825      5.151902      1.420451
  C      -6.670062      6.424518      1.942516
  C      -7.825830      7.158953      1.594381
  N      -8.777341      6.745928      0.775226
  C      -8.579405      5.524793      0.192093
  C      -9.521644      5.057243     -0.754086
  C      -9.292437      3.860011     -1.398030
  C      -8.124859      3.124453     -1.083708
  N      -7.236194      3.500261     -0.177880
  C      -7.451632      4.682421      0.460515
  C      -6.569912      2.223723      7.102812
  C      -6.871419      3.743114      7.023932
  C      -8.092235      4.055403      6.174928
  O      -7.820312      3.540722      4.851897
  C      -8.840486      3.441859      3.975214
  C     -10.005331      4.187317      4.004999
  C     -10.997813      3.946552      3.027433
  N     -10.929373      3.020592      2.087079
  C      -9.793362      2.266317      2.055021
  C      -9.683848      1.217897      1.109996
  C      -8.540131      0.452889      1.072374
  C      -7.494628      0.744798      1.969260
  N      -7.568320      1.701923      2.882662
  C      -8.696858      2.455847      2.950462
  H      -3.592279     -1.810821      4.529878
  H      -4.519642     -0.552654      3.692510
  H      -1.487950     -0.786069      3.292954
  H      -2.613436     -1.799029      2.369748
  H      -1.923423      0.314979      1.167715
  H      -2.757290      1.273917      2.407590
  H      -5.606246     -1.092256     -0.308346
  H      -6.437510     -0.199903     -2.477737
  H      -4.441736      3.844435     -3.157353
  H      -2.775641      5.236166     -1.864830
  H      -1.899834      4.341440      0.299062
  H      -2.586055      5.333161      4.290930
  H      -3.561313      5.513126      5.750617
  H      -5.113026      5.962502      4.154851
  H      -5.441395      4.241900      4.321183
  H      -3.651088      3.921553      2.396298
  H      -3.937024      5.647994      2.059897
  H      -5.952195      6.872626      2.624308
  H      -7.966109      8.151399      2.036768
  H     -10.398249      5.676519     -0.958354
  H      -9.988365      3.477293     -2.143822
  H      -7.910985      2.185672     -1.607433
  H      -7.044576      1.792936      8.005077
  H      -7.008515      1.728924      6.226913
  H      -6.001306      4.259230      6.587260
  H      -7.031902      4.176053      8.024573
  H      -8.275243      5.140895      6.129094
  H      -8.997666      3.561723      6.562158
  H     -10.170023      4.954143      4.758136
  H     -11.907824      4.555569      3.041503
  H     -10.519623      1.047998      0.429316
  H      -8.422852     -0.355473      0.352011
  H      -6.560239      0.180155      1.939181
  N      -5.288017      1.914986      4.334623
  H      -6.219394      1.906259      3.740140
100
Coordinates from ORCA-job orca E -6429.406071192542
  N      -3.123476      0.151678      5.130229
  Mo     -4.028473      1.861287      5.500806
  N      -5.144440      1.883342      7.130424
  C      -4.537498      1.970472      8.457105
  C      -3.197688      1.255973      8.454447
  N      -2.429947      1.673513      7.262954
  C      -1.441462      0.661768      6.831963
  C      -2.149701     -0.430032      6.058210
  C      -1.821616      3.014316      7.403391
  C      -1.718126      3.640211      6.022798
  N      -3.021930      3.556428      5.342017
  H      -1.402580     -1.022856      5.503312
  H      -2.668062     -1.136050      6.734249
  H      -0.721626      1.161208      6.169968
  H      -0.886220      0.257265      7.695638
  H      -1.412636      4.692986      6.126795
  H      -0.939307      3.145032      5.418240
  H      -2.490138      3.629364      8.020470
  H      -0.842142      2.956716      7.909146
  H      -5.199941      1.496665      9.201857
  H      -4.422600      3.027224      8.768338
  H      -3.371446      0.173735      8.374829
  H      -2.630477      1.446234      9.382230
  C      -3.496259     -0.806165      4.075070
  C      -2.501635     -0.810091      2.902233
  C      -2.722232      0.326362      1.918689
  O      -3.983495      0.044424      1.264278
  C      -4.333292      0.574953      0.069753
  C      -5.259943     -0.155845     -0.664165
  C      -5.728848      0.332118     -1.894327
  N      -5.355618      1.480591     -2.438729
  C      -4.451673      2.218011     -1.735062
  C      -4.042235      3.465762     -2.265229
  C      -3.138460      4.236791     -1.571216
  C      -2.642856      3.756070     -0.339108
  N      -2.996170      2.602930      0.203485
  C      -3.888042      1.825159     -0.471176
  C      -3.439195      4.885619      4.862471
  C      -4.694251      4.968624      4.003788
  C      -4.375678      4.744175      2.525890
  O      -5.486711      4.311362      1.718816
  C      -6.476887      5.171020      1.415754
  C      -6.642280      6.451160      1.925415
  C      -7.785779      7.196997      1.564176
  N      -8.738227      6.787459      0.744185
  C      -8.553989      5.559510      0.171815
  C      -9.496440      5.096351     -0.777749
  C      -9.277362      3.894828     -1.415141
  C      -8.121864      3.150384     -1.089262
  N      -7.234662      3.520410     -0.178456
  C      -7.438533      4.706976      0.452443
  C      -6.575627      2.199312      7.115399
  C      -6.874228      3.716199      7.046578
  C      -8.095791      4.035584      6.199996
  O      -7.828191      3.513920      4.878981
  C      -8.845943      3.423172      3.998929
  C     -10.012639      4.166185      4.034010
  C     -10.996015      3.937719      3.045792
  N     -10.920051      3.023242      2.092403
  C      -9.785275      2.268253      2.058317
  C      -9.672255      1.227499      1.104393
  C      -8.530375      0.460334      1.066972
  C      -7.487588      0.744499      1.970461
  N      -7.564021      1.694723      2.892069
  C      -8.694192      2.448545      2.961829
  H      -3.545952     -1.814926      4.521756
  H      -4.498130     -0.562999      3.706556
  H      -1.470449     -0.743549      3.282687
  H      -2.580169     -1.768102      2.364153
  H      -1.924477      0.366916      1.166153
  H      -2.772812      1.305251      2.412757
  H      -5.604969     -1.115982     -0.279346
  H      -6.449876     -0.265053     -2.463081
  H      -4.469873      3.779556     -3.218799
  H      -2.803327      5.201435     -1.952637
  H      -1.923370      4.356432      0.227597
  H      -2.594410      5.331169      4.299865
  H      -3.572033      5.522666      5.759588
  H      -5.124870      5.964621      4.164776
  H      -5.448784      4.242404      4.331313
  H      -3.656437      3.920620      2.416072
  H      -3.934202      5.650418      2.076232
  H      -5.921812      6.896460      2.606653
  H      -7.915257      8.194754      1.997105
  H     -10.362619      5.723637     -0.992559
  H      -9.970838      3.517107     -2.167271
  H      -7.913496      2.210691     -1.610361
  H      -7.048805      1.764310      8.013320
  H      -7.015658      1.710561      6.238990
  H      -6.002568      4.230913      6.611195
  H      -7.030120      4.144252      8.048903
  H      -8.269572      5.122351      6.151621
  H      -9.006326      3.550440      6.589939
  H     -10.183761      4.924565      4.797520
  H     -11.903222      4.547891      3.061021
  H     -10.505168      1.063709      0.419084
  H      -8.410603     -0.343024      0.340682
  H      -6.554091      0.177756      1.940486
  N      -5.290882      1.909830      4.339661
  H      -6.223555      1.897441      3.747680
100
Coordinates from ORCA-job orca E -6429.405682263988
  N      -3.129832      0.140812      5.130371
  Mo     -4.030036      1.851472      5.493474
  N      -5.146413      1.887316      7.123653
  C      -4.535356      1.975155      8.447798
  C      -3.195281      1.256921      8.444625
  N      -2.425669      1.671157      7.252639
  C      -1.438583      0.655658      6.823700
  C      -2.150119     -0.437995      6.052710
  C      -1.818411      3.012033      7.386883
  C      -1.715718      3.633036      6.002030
  N      -3.021655      3.548486      5.318249
  H      -1.405482     -1.026449      5.493414
  H      -2.662661     -1.147287      6.729780
  H      -0.716894      1.152360      6.160766
  H      -0.883854      0.250979      7.687886
  H      -1.408840      4.686199      6.100280
  H      -0.934092      3.134557      5.400438
  H      -2.487118      3.628199      8.003948
  H      -0.836320      2.956400      7.890473
  H      -5.197562      1.505107      9.196075
  H      -4.416288      3.032556      8.755512
  H      -3.370480      0.174979      8.366276
  H      -2.628208      1.446707      9.371920
  C      -3.501318     -0.814830      4.082625
  C      -2.510912     -0.808731      2.913570
  C      -2.727799      0.338213      1.945117
  O      -3.982888      0.046272      1.271596
  C      -4.319049      0.586659      0.078109
  C      -5.247148     -0.131535     -0.666152
  C      -5.714525      0.377286     -1.889035
  N      -5.337592      1.534665     -2.417206
  C      -4.427364      2.256372     -1.704444
  C      -4.009668      3.509982     -2.216865
  C      -3.098866      4.264899     -1.513210
  C      -2.602998      3.761387     -0.289573
  N      -2.964307      2.601492      0.236574
  C      -3.863252      1.839941     -0.447189
  C      -3.438601      4.874319      4.824634
  C      -4.689469      4.953452      3.960313
  C      -4.362108      4.732184      2.487862
  O      -5.470363      4.299075      1.678210
  C      -6.457879      5.161113      1.378589
  C      -6.605007      6.447282      1.878058
  C      -7.753145      7.193568      1.532919
  N      -8.728234      6.777722      0.738407
  C      -8.561431      5.543630      0.175333
  C      -9.531836      5.071514     -0.743859
  C      -9.338928      3.858023     -1.359987
  C      -8.178352      3.115067     -1.047280
  N      -7.263619      3.493276     -0.166267
  C      -7.442903      4.690270      0.443087
  C      -6.579322      2.206234      7.109138
  C      -6.880052      3.718574      7.048389
  C      -8.102678      4.045207      6.205193
  O      -7.847129      3.511004      4.881978
  C      -8.867992      3.421515      4.001251
  C     -10.032322      4.166830      4.027506
  C     -11.014994      3.936613      3.034289
  N     -10.934688      3.023352      2.079643
  C      -9.797163      2.269641      2.051564
  C      -9.668613      1.235114      1.090771
  C      -8.523343      0.467721      1.061611
  C      -7.491882      0.747575      1.978718
  N      -7.580296      1.696135      2.900993
  C      -8.712988      2.448240      2.964270
  H      -3.542445     -1.821860      4.528780
  H      -4.506875     -0.577627      3.712418
  H      -1.484452     -0.750571      3.298917
  H      -2.593275     -1.752723      2.364296
  H      -1.914209      0.402098      1.199843
  H      -2.797343      1.312173      2.463192
  H      -5.597544     -1.096770     -0.294153
  H      -6.438819     -0.207976     -2.465139
  H      -4.436270      3.840964     -3.164683
  H      -2.758765      5.234645     -1.880669
  H      -1.881095      4.350626      0.286339
  H      -2.594453      5.315683      4.268297
  H      -3.579601      5.511740      5.710672
  H      -5.132998      5.945663      4.118555
  H      -5.438125      4.220751      4.281831
  H      -3.643097      3.911887      2.380831
  H      -3.922467      5.639067      2.040162
  H      -5.866602      6.896477      2.539917
  H      -7.869053      8.195727      1.958924
  H     -10.401599      5.698121     -0.947404
  H     -10.059455      3.468017     -2.082112
  H      -7.992915      2.166659     -1.549754
  H      -7.050859      1.767775      7.999787
  H      -7.019240      1.725231      6.230987
  H      -6.010134      4.233558      6.621760
  H      -7.034643      4.136912      8.049837
  H      -8.264179      5.135937      6.155105
  H      -9.020010      3.569885      6.603392
  H     -10.205554      4.924785      4.790046
  H     -11.924086      4.545620      3.044627
  H     -10.489438      1.078902      0.392150
  H      -8.393036     -0.331549      0.331476
  H      -6.555151      0.183547      1.958352
  N      -5.304107      1.890200      4.344654
  H      -6.249041      1.857878      3.770111
100
Coordinates from ORCA-job orca E -6429.406188758071
  N      -3.125430      0.146243      5.133010
  Mo     -4.031749      1.854185      5.504129
  N      -5.144133      1.880151      7.135695
  C      -4.532999      1.970650      8.460108
  C      -3.192077      1.257444      8.455372
  N      -2.427259      1.673825      7.261686
  C      -1.438938      0.662266      6.829416
  C      -2.148201     -0.431898      6.059383
  C      -1.821705      3.016025      7.396970
  C      -1.723177      3.638797      6.014300
  N      -3.028420      3.550641      5.334572
  H      -1.402316     -1.022741      5.503209
  H      -2.662393     -1.138464      6.737043
  H      -0.721868      1.161598      6.164274
  H      -0.880178      0.259433      7.691665
  H      -1.419629      4.692154      6.114773
  H      -0.943572      3.144054      5.410080
  H      -2.489984      3.630663      8.014799
  H      -0.840044      2.961777      7.899726
  H      -5.192385      1.497934      9.208293
  H      -4.417964      3.028114      8.768373
  H      -3.364446      0.175025      8.377754
  H      -2.623464      1.449605      9.381737
  C      -3.495578     -0.810683      4.075920
  C      -2.502862     -0.805756      2.902542
  C      -2.726057      0.338626      1.929750
  O      -3.988345      0.061679      1.274702
  C      -4.331457      0.596144      0.080369
  C      -5.260768     -0.126700     -0.656995
  C      -5.721069      0.366898     -1.887358
  N      -5.337747      1.514418     -2.428542
  C      -4.430751      2.243846     -1.720906
  C      -4.008970      3.489545     -2.246793
  C      -3.101713      4.252547     -1.548510
  C      -2.614051      3.764986     -0.316672
  N      -2.978030      2.612205      0.221728
  C      -3.873923      1.843259     -0.456924
  C      -3.446468      4.876317      4.843103
  C      -4.700495      4.950595      3.982496
  C      -4.376321      4.728375      2.507035
  O      -5.484838      4.296157      1.696904
  C      -6.466012      5.164511      1.387475
  C      -6.609636      6.454186      1.881136
  C      -7.746906      7.209115      1.519220
  N      -8.713604      6.798732      0.713458
  C      -8.550848      5.560704      0.156795
  C      -9.511644      5.093933     -0.774483
  C      -9.319683      3.877582     -1.388920
  C      -8.170793      3.124815     -1.060847
  N      -7.265747      3.498637     -0.168020
  C      -7.443563      4.698596      0.440409
  C      -6.576037      2.195103      7.123059
  C      -6.877043      3.711043      7.050447
  C      -8.100822      4.028262      6.206745
  O      -7.839519      3.498217      4.887010
  C      -8.857763      3.412095      4.006902
  C     -10.022767      4.156907      4.041680
  C     -11.006628      3.932438      3.051354
  N     -10.930454      3.022038      2.094244
  C      -9.795337      2.266420      2.059528
  C      -9.677641      1.232487      1.098541
  C      -8.534671      0.464041      1.060621
  C      -7.496307      0.740399      1.971229
  N      -7.576443      1.685988      2.897028
  C      -8.706211      2.441077      2.966869
  H      -3.540303     -1.821363      4.519748
  H      -4.499983     -0.571999      3.707200
  H      -1.470292     -0.743581      3.282032
  H      -2.583835     -1.758908      2.356463
  H      -1.928402      0.387023      1.177562
  H      -2.777268      1.313465      2.433267
  H      -5.613924     -1.086046     -0.275731
  H      -6.444141     -0.224072     -2.459256
  H      -4.429289      3.808066     -3.200601
  H      -2.758001      5.216333     -1.926490
  H      -1.892632      4.359256      0.253794
  H      -2.602804      5.317080      4.277790
  H      -3.580115      5.519638      5.733674
  H      -5.143988      5.940813      4.141792
  H      -5.446514      4.216523      4.307510
  H      -3.657411      3.906087      2.400033
  H      -3.934048      5.634870      2.058951
  H      -5.876114      6.899947      2.550135
  H      -7.859465      8.214650      1.939783
  H     -10.372562      5.727781     -0.990470
  H     -10.031342      3.493237     -2.122371
  H      -7.987273      2.171600     -1.559859
  H      -7.046108      1.762286      8.022568
  H      -7.016999      1.703886      6.247815
  H      -6.008098      4.224700      6.611333
  H      -7.028978      4.141013      8.052095
  H      -8.271952      5.115905      6.153957
  H      -9.011289      3.546702      6.602967
  H     -10.193864      4.912291      4.807484
  H     -11.914506      4.542934      3.067396
  H     -10.506840      1.076278      0.407246
  H      -8.412136     -0.334698      0.329707
  H      -6.562326      0.172893      1.943348
  N      -5.300357      1.896118      4.348990
  H      -6.237824      1.878159      3.763936
100
Coordinates from ORCA-job orca E -6429.406159403077
  N      -3.134683      0.142748      5.133237
  Mo     -4.039787      1.850982      5.506089
  N      -5.140966      1.880393      7.144907
  C      -4.521158      1.976567      8.464848
  C      -3.180243      1.263948      8.453871
  N      -2.423725      1.676197      7.253286
  C      -1.438346      0.662764      6.817825
  C      -2.153210     -0.434517      6.057175
  C      -1.816686      3.018910      7.380185
  C      -1.729302      3.638398      5.995503
  N      -3.039367      3.546643      5.327224
  H      -1.409324     -1.030676      5.499689
  H      -2.666388     -1.137816      6.742225
  H      -0.726081      1.159372      6.145020
  H      -0.873597      0.263380      7.677846
  H      -1.425994      4.692439      6.090983
  H      -0.954383      3.142706      5.386431
  H      -2.479871      3.635330      8.001387
  H      -0.831350      2.966028      7.874966
  H      -5.175326      1.506207      9.219160
  H      -4.404964      3.035342      8.768260
  H      -3.352929      0.180986      8.381559
  H      -2.605560      1.459882      9.375781
  C      -3.510607     -0.813228      4.080244
  C      -2.525109     -0.811459      2.902360
  C      -2.730913      0.343184      1.938410
  O      -3.996378      0.089630      1.276406
  C      -4.325717      0.625337      0.079621
  C      -5.264601     -0.083323     -0.659212
  C      -5.715354      0.414889     -1.892953
  N      -5.313417      1.553456     -2.436928
  C      -4.398025      2.269842     -1.727877
  C      -3.960148      3.508908     -2.256098
  C      -3.043424      4.259048     -1.557550
  C      -2.563743      3.766318     -0.322300
  N      -2.944885      2.621412      0.219166
  C      -3.849658      1.864157     -0.460038
  C      -3.460116      4.869435      4.833846
  C      -4.717383      4.938918      3.976532
  C      -4.388044      4.715294      2.501461
  O      -5.495351      4.287072      1.687563
  C      -6.477554      5.152328      1.378168
  C      -6.628881      6.437611      1.877020
  C      -7.763640      7.193415      1.509448
  N      -8.720747      6.787751      0.694297
  C      -8.551589      5.552052      0.134860
  C      -9.501200      5.090277     -0.807384
  C      -9.297699      3.878282     -1.430951
  C      -8.150628      3.122092     -1.098004
  N      -7.256694      3.491987     -0.194851
  C      -7.445479      4.689015      0.422085
  C      -6.572599      2.196998      7.141730
  C      -6.871234      3.712407      7.064847
  C      -8.102057      4.026196      6.229068
  O      -7.847866      3.492117      4.910027
  C      -8.866391      3.406812      4.030100
  C     -10.033413      4.151113      4.067025
  C     -11.015156      3.930121      3.075392
  N     -10.938802      3.020362      2.117663
  C      -9.805890      2.261267      2.083793
  C      -9.696520      1.220664      1.129161
  C      -8.561803      0.444893      1.096424
  C      -7.519664      0.722306      2.002707
  N      -7.591216      1.674374      2.922672
  C      -8.716212      2.434904      2.990051
  H      -3.554141     -1.821998      4.525282
  H      -4.515359     -0.572211      3.716520
  H      -1.492085     -0.769534      3.278204
  H      -2.623875     -1.756457      2.348350
  H      -1.929879      0.387403      1.186904
  H      -2.768750      1.314544      2.452491
  H      -5.633636     -1.034492     -0.276938
  H      -6.446383     -0.165250     -2.465714
  H      -4.376898      3.833791     -3.212388
  H      -2.686386      5.216343     -1.937858
  H      -1.834821      4.350104      0.248514
  H      -2.617485      5.306189      4.263638
  H      -3.589216      5.516554      5.721341
  H      -5.168272      5.928987      4.135800
  H      -5.461642      4.198428      4.302618
  H      -3.670894      3.889423      2.395817
  H      -3.939372      5.620522      2.056148
  H      -5.903262      6.879965      2.553785
  H      -7.882102      8.196043      1.933132
  H     -10.360236      5.726333     -1.028206
  H      -9.996107      3.501396     -2.178017
  H      -7.956239      2.170908     -1.605783
  H      -7.037762      1.768600      8.045798
  H      -7.020754      1.703192      6.273738
  H      -6.004616      4.222283      6.615577
  H      -7.014353      4.147315      8.064867
  H      -8.275318      5.113196      6.174462
  H      -9.010062      3.544935      6.632708
  H     -10.206373      4.904778      4.834780
  H     -11.923103      4.541486      3.092327
  H     -10.529021      1.062804      0.441606
  H      -8.447509     -0.360205      0.371522
  H      -6.592307      0.147958      1.978525
  N      -5.311876      1.888453      4.355956
  H      -6.249686      1.869897      3.772529
100
Coordinates from ORCA-job orca E -6429.406314968782
  N      -3.128447      0.140267      5.135006
  Mo     -4.039398      1.845335      5.508808
  N      -5.138773      1.873323      7.148614
  C      -4.517747      1.971509      8.467861
  C      -3.174782      1.262848      8.455543
  N      -2.421177      1.677456      7.254349
  C      -1.432763      0.668133      6.817310
  C      -2.144378     -0.431915      6.058141
  C      -1.819731      3.022368      7.380290
  C      -1.734417      3.640533      5.994340
  N      -3.044293      3.544006      5.325273
  H      -1.400144     -1.025365      5.500589
  H      -2.653320     -1.135566      6.743842
  H      -0.724584      1.167594      6.142889
  H      -0.864256      0.271324      7.675979
  H      -1.434767      4.695689      6.088566
  H      -0.957057      3.146446      5.385961
  H      -2.485994      3.637049      8.000863
  H      -0.833946      2.973479      7.875995
  H      -5.169714      1.499687      9.222999
  H      -4.403977      3.030535      8.770838
  H      -3.344204      0.179609      8.383331
  H      -2.599625      1.460463      9.376748
  C      -3.501971     -0.817939      4.082919
  C      -2.518422     -0.812067      2.903274
  C      -2.730830      0.346577      1.944633
  O      -4.000666      0.097412      1.291687
  C      -4.332385      0.636258      0.096051
  C      -5.274894     -0.069018     -0.641559
  C      -5.723358      0.430655     -1.875081
  N      -5.315967      1.567641     -2.419737
  C      -4.397021      2.280930     -1.711363
  C      -3.950373      3.516202     -2.240619
  C      -3.029229      4.262838     -1.542621
  C      -2.553896      3.770215     -0.307086
  N      -2.942139      2.627554      0.234902
  C      -3.850947      1.873732     -0.443800
  C      -3.468004      4.864687      4.825620
  C      -4.724898      4.926495      3.967327
  C      -4.393601      4.706907      2.492578
  O      -5.500877      4.279998      1.676676
  C      -6.474779      5.154015      1.360675
  C      -6.608189      6.447530      1.845589
  C      -7.733794      7.213521      1.470739
  N      -8.698366      6.809760      0.661377
  C      -8.547458      5.565173      0.116597
  C      -9.507005      5.103167     -0.816919
  C      -9.324376      3.879780     -1.422322
  C      -8.187140      3.114095     -1.081439
  N      -7.284096      3.484165     -0.186293
  C      -7.452426      4.691564      0.412942
  C      -6.571132      2.187118      7.145975
  C      -6.872870      3.702388      7.065984
  C      -8.104604      4.012834      6.231138
  O      -7.851116      3.476370      4.913192
  C      -8.869929      3.395301      4.033270
  C     -10.033040      4.143173      4.070184
  C     -11.015371      3.926802      3.077271
  N     -10.941765      3.019399      2.117297
  C      -9.811089      2.257860      2.082844
  C      -9.699724      1.223153      1.122046
  C      -8.561329      0.448345      1.084501
  C      -7.519961      0.720289      1.993806
  N      -7.594611      1.666478      2.919753
  C      -8.721589      2.426273      2.990809
  H      -3.540856     -1.826929      4.527616
  H      -4.508712     -0.581107      3.721051
  H      -1.482485     -0.770135      3.274957
  H      -2.618047     -1.757133      2.347374
  H      -1.934838      0.393256      1.189290
  H      -2.765640      1.316634      2.460988
  H      -5.647266     -1.020098     -0.259357
  H      -6.456667     -0.147430     -2.447505
  H      -4.362927      3.840505     -3.197267
  H      -2.665441      5.217260     -1.923796
  H      -1.821216      4.351138      0.263121
  H      -2.626713      5.301047      4.252841
  H      -3.597980      5.515754      5.711149
  H      -5.184055      5.910635      4.127130
  H      -5.461884      4.180288      4.290790
  H      -3.675958      3.882089      2.386859
  H      -3.944836      5.612902      2.049798
  H      -5.874505      6.888849      2.516015
  H      -7.837635      8.223192      1.882737
  H     -10.358144      5.746763     -1.043892
  H     -10.032783      3.500374     -2.159925
  H      -8.010949      2.153116     -1.573162
  H      -7.034572      1.759761      8.051780
  H      -7.018833      1.690236      6.278292
  H      -6.008367      4.212606      6.613649
  H      -7.014636      4.139428      8.065584
  H      -8.279083      5.099636      6.174143
  H      -9.011195      3.531262      6.636733
  H     -10.202524      4.896088      4.838615
  H     -11.919205      4.541717      3.093337
  H     -10.530093      1.071480      0.431002
  H      -8.443512     -0.351260      0.353426
  H      -6.588391      0.148034      1.965240
  N      -5.313916      1.877297      4.360252
  H      -6.252233      1.856446      3.777679
100
Coordinates from ORCA-job orca E -6429.406370674082
  N      -3.134795      0.138236      5.136848
  Mo     -4.045960      1.841857      5.516155
  N      -5.139970      1.869520      7.159538
  C      -4.514715      1.969721      8.476704
  C      -3.170798      1.262097      8.460096
  N      -2.422207      1.676398      7.255264
  C      -1.434941      0.667152      6.813948
  C      -2.149968     -0.433641      6.058638
  C      -1.821474      3.022201      7.378019
  C      -1.743051      3.641933      5.993302
  N      -3.054480      3.542136      5.327274
  H      -1.407786     -1.027280      5.501430
  H      -2.657749     -1.136288      6.745362
  H      -0.731011      1.166991      6.134958
  H      -0.861144      0.271049      7.669432
  H      -1.445719      4.697458      6.088094
  H      -0.966215      3.151652      5.382545
  H      -2.485213      3.634871      8.001868
  H      -0.833526      2.974663      7.868265
  H      -5.163805      1.497988      9.234762
  H      -4.400667      3.029460      8.778105
  H      -3.339271      0.178383      8.390040
  H      -2.592307      1.461596      9.378711
  C      -3.505694     -0.816611      4.077054
  C      -2.522596     -0.799246      2.896241
  C      -2.735674      0.366804      1.947909
  O      -4.007661      0.127336      1.297162
  C      -4.332216      0.663009      0.098394
  C      -5.277097     -0.038849     -0.639186
  C      -5.714562      0.457317     -1.876854
  N      -5.294758      1.588200     -2.425334
  C      -4.373754      2.298597     -1.716418
  C      -3.913634      3.527819     -2.249090
  C      -2.990502      4.271695     -1.550235
  C      -2.525504      3.781267     -0.310871
  N      -2.925349      2.643071      0.233985
  C      -3.837272      1.893383     -0.445129
  C      -3.477703      4.859381      4.816513
  C      -4.732872      4.914450      3.955676
  C      -4.395726      4.691644      2.483810
  O      -5.501641      4.265306      1.666756
  C      -6.462702      5.149855      1.338594
  C      -6.572106      6.453354      1.804032
  C      -7.685090      7.232826      1.419303
  N      -8.660193      6.831492      0.619190
  C      -8.533847      5.575279      0.095138
  C      -9.507710      5.112721     -0.824701
  C      -9.352861      3.874578     -1.405486
  C      -8.227538      3.096540     -1.055123
  N      -7.311413      3.467364     -0.172674
  C      -7.452768      4.688199      0.402666
  C      -6.572539      2.182214      7.160812
  C      -6.875578      3.697072      7.075393
  C      -8.109391      4.005975      6.243054
  O      -7.862753      3.460752      4.927250
  C      -8.882041      3.379091      4.048390
  C     -10.049459      4.122030      4.088748
  C     -11.032767      3.905225      3.095551
  N     -10.954352      3.002798      2.130848
  C      -9.818738      2.245786      2.093088
  C      -9.702642      1.215256      1.127984
  C      -8.565448      0.440110      1.092349
  C      -7.527670      0.709400      2.005856
  N      -7.604227      1.654308      2.932697
  C      -8.730727      2.413526      3.002985
  H      -3.542125     -1.830838      4.515640
  H      -4.513712     -0.581773      3.714649
  H      -1.486004     -0.761723      3.267532
  H      -2.623963     -1.739069      2.331272
  H      -1.942967      0.417629      1.192051
  H      -2.765866      1.331539      2.471407
  H      -5.658586     -0.986116     -0.254915
  H      -6.448939     -0.118870     -2.449790
  H      -4.317117      3.849862     -3.209005
  H      -2.617708      5.222750     -1.933759
  H      -1.791961      4.360351      0.260076
  H      -2.636525      5.290283      4.242160
  H      -3.608668      5.516148      5.695211
  H      -5.200762      5.895582      4.110567
  H      -5.464612      4.163953      4.278477
  H      -3.679669      3.865469      2.382843
  H      -3.943757      5.596155      2.040225
  H      -5.828174      6.892413      2.466380
  H      -7.769483      8.251175      1.815216
  H     -10.348936      5.766244     -1.059256
  H     -10.075017      3.492362     -2.129780
  H      -8.075255      2.122719     -1.524917
  H      -7.032336      1.758084      8.069658
  H      -7.022058      1.681173      6.295256
  H      -6.013733      4.204474      6.617115
  H      -7.011983      4.137612      8.073856
  H      -8.279761      5.093263      6.179692
  H      -9.015976      3.530048      6.655017
  H     -10.223129      4.870464      4.861209
  H     -11.942728      4.514917      3.115807
  H     -10.531249      1.065807      0.434380
  H      -8.446966     -0.358537      0.360680
  H      -6.597849      0.136477      1.980912
  N      -5.326933      1.870752      4.374548
  H      -6.268776      1.846878      3.797395
100
Coordinates from ORCA-job orca E -6429.406463940908
  N      -3.132860      0.133091      5.137590
  Mo     -4.050687      1.832705      5.520148
  N      -5.135527      1.859263      7.168873
  C      -4.503576      1.964893      8.482457
  C      -3.156623      1.264240      8.460100
  N      -2.417565      1.679517      7.250142
  C      -1.428280      0.674640      6.804076
  C      -2.142923     -0.432182      6.057754
  C      -1.823393      3.028792      7.366412
  C      -1.756456      3.645603      5.979659
  N      -3.070062      3.536673      5.320201
  H      -1.401239     -1.028573      5.500762
  H      -2.646171     -1.131534      6.751666
  H      -0.733635      1.176455      6.117247
  H      -0.844940      0.284679      7.655996
  H      -1.465378      4.702979      6.070915
  H      -0.979795      3.158688      5.365969
  H      -2.486699      3.639583      7.992874
  H      -0.832370      2.987285      7.851420
  H      -5.145909      1.491587      9.244594
  H      -4.393156      3.025304      8.781328
  H      -3.319811      0.179815      8.393362
  H      -2.573964      1.468794      9.375038
  C      -3.503860     -0.823163      4.082130
  C      -2.528492     -0.800528      2.896231
  C      -2.740173      0.377643      1.962289
  O      -4.020537      0.158879      1.318831
  C      -4.337462      0.700724      0.120302
  C      -5.291490      0.014961     -0.619077
  C      -5.719116      0.519379     -1.857709
  N      -5.280622      1.643001     -2.406087
  C      -4.351130      2.338385     -1.694805
  C      -3.870913      3.560091     -2.227031
  C      -2.938195      4.288496     -1.526107
  C      -2.484431      3.790783     -0.284820
  N      -2.903103      2.659156      0.259569
  C      -3.824123      1.924321     -0.421841
  C      -3.496752      4.848172      4.797322
  C      -4.752302      4.888988      3.936330
  C      -4.408892      4.664960      2.466227
  O      -5.514937      4.243726      1.646130
  C      -6.460236      5.141034      1.303565
  C      -6.543659      6.454613      1.746214
  C      -7.636920      7.251610      1.341753
  N      -8.616684      6.857170      0.544300
  C      -8.518201      5.587960      0.046872
  C      -9.500181      5.128552     -0.865451
  C      -9.373701      3.874796     -1.418683
  C      -8.268361      3.078671     -1.048503
  N      -7.345557      3.447239     -0.172792
  C      -7.458970      4.682775      0.375681
  C      -6.568561      2.170287      7.176654
  C      -6.872420      3.684444      7.085204
  C      -8.113135      3.987616      6.261224
  O      -7.875373      3.433463      4.947787
  C      -8.897175      3.355505      4.071941
  C     -10.062458      4.100582      4.116111
  C     -11.045747      3.890738      3.122272
  N     -10.970695      2.991859      2.154407
  C      -9.838194      2.231372      2.114198
  C      -9.724972      1.204415      1.145336
  C      -8.586623      0.428211      1.103976
  C      -7.546261      0.693068      2.016228
  N      -7.621671      1.633956      2.947256
  C      -8.748830      2.393499      3.023159
  H      -3.531320     -1.836276      4.519864
  H      -4.515143     -0.593207      3.727314
  H      -1.488114     -0.774806      3.259831
  H      -2.640711     -1.734644      2.322699
  H      -1.952053      0.430665      1.201743
  H      -2.758161      1.337571      2.496939
  H      -5.687644     -0.926663     -0.236777
  H      -6.460938     -0.044501     -2.432256
  H      -4.266475      3.888862     -3.188699
  H      -2.549364      5.232680     -1.909626
  H      -1.743164      4.357244      0.287531
  H      -2.656836      5.273500      4.215437
  H      -3.625590      5.515414      5.670307
  H      -5.233365      5.863779      4.087733
  H      -5.474948      4.129874      4.259122
  H      -3.695417      3.835396      2.368210
  H      -3.950183      5.567236      2.024920
  H      -5.793142      6.889009      2.404158
  H      -7.699671      8.279150      1.717590
  H     -10.325001      5.796203     -1.116339
  H     -10.102802      3.493925     -2.136293
  H      -8.139576      2.090742     -1.495357
  H      -7.022977      1.749831      8.089726
  H      -7.022232      1.664911      6.316024
  H      -6.014475      4.188184      6.614385
  H      -6.998447      4.132195      8.082378
  H      -8.282983      5.074467      6.191469
  H      -9.017232      3.515091      6.683006
  H     -10.232850      4.846992      4.890654
  H     -11.952153      4.503836      3.144177
  H     -10.555012      1.059909      0.452029
  H      -8.469359     -0.367608      0.368794
  H      -6.614909      0.119950      1.986516
  N      -5.336313      1.851165      4.383567
  H      -6.278137      1.822357      3.807543
100
Coordinates from ORCA-job orca E -6429.406365819182
  N      -3.126476      0.136549      5.134855
  Mo     -4.052687      1.829967      5.528966
  N      -5.140237      1.847217      7.175490
  C      -4.509380      1.948331      8.489518
  C      -3.157982      1.253421      8.465282
  N      -2.419521      1.678830      7.258654
  C      -1.424399      0.683075      6.804865
  C      -2.133992     -0.424477      6.054900
  C      -1.835320      3.031055      7.380917
  C      -1.769169      3.654337      5.995177
  N      -3.082000      3.541176      5.331004
  H      -1.389710     -1.015166      5.498910
  H      -2.633184     -1.126485      6.747033
  H      -0.737061      1.194132      6.118102
  H      -0.833729      0.293445      7.652027
  H      -1.485683      4.713897      6.091401
  H      -0.985100      3.176045      5.380925
  H      -2.505117      3.634394      8.010040
  H      -0.843436      2.993132      7.868033
  H      -5.151184      1.469133      9.248617
  H      -4.403344      3.007636      8.793200
  H      -3.314740      0.168887      8.393111
  H      -2.577185      1.456181      9.381436
  C      -3.492594     -0.818689      4.078115
  C      -2.520653     -0.787245      2.890277
  C      -2.731593      0.397416      1.965962
  O      -4.021019      0.191940      1.328509
  C      -4.332146      0.717698      0.120069
  C      -5.301601      0.035207     -0.604577
  C      -5.726964      0.525783     -1.850804
  N      -5.270342      1.631289     -2.421299
  C      -4.324848      2.323076     -1.725261
  C      -3.823511      3.525000     -2.282361
  C      -2.876122      4.252369     -1.596373
  C      -2.429453      3.773910     -0.345378
  N      -2.866129      2.659688      0.221305
  C      -3.800769      1.924766     -0.445176
  C      -3.508506      4.849398      4.801376
  C      -4.767704      4.884402      3.942817
  C      -4.422041      4.666027      2.474277
  O      -5.529821      4.251308      1.652379
  C      -6.469223      5.150908      1.309022
  C      -6.543761      6.462705      1.752230
  C      -7.628495      7.270284      1.344952
  N      -8.608300      6.887046      0.545079
  C      -8.520707      5.615482      0.051532
  C      -9.507059      5.163655     -0.858151
  C      -9.392659      3.904249     -1.405996
  C      -8.293681      3.094599     -1.033741
  N      -7.367583      3.457267     -0.160566
  C      -7.470349      4.698658      0.383279
  C      -6.575538      2.160800      7.179346
  C      -6.875507      3.678021      7.083336
  C      -8.116176      3.986097      6.260830
  O      -7.883504      3.422863      4.952212
  C      -8.904860      3.343829      4.076961
  C     -10.063092      4.093967      4.114189
  C     -11.047559      3.880119      3.121216
  N     -10.980623      2.973518      2.160462
  C      -9.853283      2.209743      2.126436
  C      -9.742636      1.178978      1.161431
  C      -8.599163      0.406182      1.118774
  C      -7.555452      0.677077      2.027763
  N      -7.631408      1.620025      2.956748
  C      -8.761386      2.376430      3.033156
  H      -3.510169     -1.830431      4.514303
  H      -4.507917     -0.596994      3.727533
  H      -1.478286     -0.769355      3.252722
  H      -2.638449     -1.715744      2.308210
  H      -1.945630      0.452481      1.201757
  H      -2.742556      1.354569      2.510065
  H      -5.712359     -0.893767     -0.205787
  H      -6.481483     -0.036168     -2.413377
  H      -4.214555      3.840338     -3.250814
  H      -2.471332      5.181553     -1.998849
  H      -1.678191      4.341999      0.215476
  H      -2.665109      5.270570      4.217373
  H      -3.635970      5.523299      5.670622
  H      -5.258351      5.854822      4.097603
  H      -5.488361      4.118250      4.261487
  H      -3.708172      3.839445      2.374634
  H      -3.963061      5.567978      2.038084
  H      -5.793466      6.888420      2.413907
  H      -7.683521      8.297452      1.719962
  H     -10.326488      5.840625     -1.110284
  H     -10.127299      3.528403     -2.118807
  H      -8.175207      2.098994     -1.475803
  H      -7.034384      1.740268      8.091598
  H      -7.025754      1.656934      6.316829
  H      -6.015477      4.175404      6.607001
  H      -6.996647      4.131116      8.079058
  H      -8.277311      5.073437      6.182472
  H      -9.023523      3.525347      6.685991
  H     -10.226013      4.847835      4.881854
  H     -11.946489      4.497983      3.136516
  H     -10.573128      1.033827      0.467762
  H      -8.480222     -0.391078      0.384690
  H      -6.619194      0.108663      1.995503
  N      -5.338920      1.846695      4.393004
  H      -6.277381      1.812410      3.814381
100
Coordinates from ORCA-job orca E -6429.406571833049
  N      -3.132091      0.133231      5.134049
  Mo     -4.055054      1.829629      5.524197
  N      -5.133838      1.850139      7.176925
  C      -4.497763      1.955742      8.488385
  C      -3.147601      1.260773      8.459117
  N      -2.415849      1.681904      7.246535
  C      -1.423198      0.683354      6.793085
  C      -2.136317     -0.427147      6.050749
  C      -1.829005      3.034416      7.363743
  C      -1.770812      3.655991      5.977751
  N      -3.086153      3.541403      5.322603
  H      -1.393822     -1.022495      5.493182
  H      -2.634412     -1.126206      6.748516
  H      -0.737633      1.190680      6.101046
  H      -0.830591      0.297104      7.640365
  H      -1.486813      4.715798      6.071457
  H      -0.991617      3.176101      5.359334
  H      -2.493753      3.639840      7.995528
  H      -0.835426      2.996168      7.845030
  H      -5.135885      1.478247      9.251707
  H      -4.390563      3.016217      8.788978
  H      -3.305566      0.175595      8.391617
  H      -2.561592      1.467086      9.371444
  C      -3.506659     -0.824733      4.081974
  C      -2.538619     -0.802186      2.890440
  C      -2.741622      0.385317      1.966835
  O      -4.033862      0.193659      1.336025
  C      -4.342224      0.730039      0.131797
  C      -5.306369      0.054132     -0.604086
  C      -5.726455      0.558265     -1.846971
  N      -5.269264      1.670974     -2.403317
  C      -4.328666      2.356054     -1.695817
  C      -3.825096      3.563667     -2.237903
  C      -2.881043      4.282053     -1.540017
  C      -2.440399      3.789258     -0.292007
  N      -2.879774      2.669924      0.260441
  C      -3.810493      1.943483     -0.418134
  C      -3.516822      4.848959      4.795252
  C      -4.770812      4.882793      3.930760
  C      -4.420830      4.655971      2.462430
  O      -5.529334      4.241803      1.641020
  C      -6.461533      5.147431      1.286728
  C      -6.525458      6.466563      1.712980
  C      -7.600963      7.278493      1.290621
  N      -8.580746      6.893428      0.490902
  C      -8.503423      5.615090      0.013835
  C      -9.487216      5.162050     -0.897810
  C      -9.380416      3.897106     -1.432276
  C      -8.293856      3.082358     -1.042503
  N      -7.370345      3.446276     -0.167096
  C      -7.463815      4.693587      0.362299
  C      -6.567778      2.158546      7.188331
  C      -6.871805      3.672927      7.093728
  C      -8.114543      3.976081      6.272299
  O      -7.880985      3.415521      4.961321
  C      -8.905518      3.333136      4.089161
  C     -10.071570      4.077425      4.135159
  C     -11.058592      3.863528      3.145637
  N     -10.986342      2.961403      2.180597
  C      -9.853485      2.201228      2.139104
  C      -9.744087      1.169919      1.174157
  C      -8.605361      0.394559      1.130963
  C      -7.560307      0.665729      2.036279
  N      -7.631980      1.610548      2.963703
  C      -8.760628      2.367741      3.042987
  H      -3.528381     -1.836251      4.521155
  H      -4.520962     -0.597987      3.733726
  H      -1.496146     -0.792920      3.247700
  H      -2.666166     -1.729476      2.309805
  H      -1.960132      0.433477      1.198280
  H      -2.740353      1.341487      2.510209
  H      -5.717246     -0.879326     -0.216637
  H      -6.477633      0.002310     -2.418385
  H      -4.211478      3.889974     -3.204590
  H      -2.473827      5.214228     -1.931106
  H      -1.691593      4.349299      0.278611
  H      -2.675814      5.274225      4.215476
  H      -3.649700      5.518577      5.664817
  H      -5.259188      5.855699      4.077960
  H      -5.492426      4.119453      4.251745
  H      -3.709682      3.823352      2.365695
  H      -3.955363      5.555433      2.023111
  H      -5.773637      6.894643      2.371910
  H      -7.647726      8.311362      1.651956
  H     -10.296476      5.843564     -1.164579
  H     -10.110407      3.521335     -2.149786
  H      -8.180894      2.082988     -1.474726
  H      -7.019967      1.737738      8.103108
  H      -7.022211      1.651698      6.329469
  H      -6.015269      4.172745      6.616620
  H      -6.992793      4.124485      8.088797
  H      -8.280163      5.063246      6.195124
  H      -9.019653      3.510682      6.699053
  H     -10.238989      4.826299      4.907890
  H     -11.964986      4.476101      3.168760
  H     -10.576842      1.022183      0.485162
  H      -8.490581     -0.405146      0.398904
  H      -6.628095      0.094399      2.003692
  N      -5.345444      1.843346      4.394040
  H      -6.284163      1.809232      3.815363
100
Coordinates from ORCA-job orca E -6429.406581945106
  N      -3.132000      0.138576      5.132708
  Mo     -4.053827      1.834960      5.526663
  N      -5.141402      1.848457      7.173609
  C      -4.511734      1.946775      8.488462
  C      -3.162132      1.251476      8.463335
  N      -2.424123      1.676912      7.256628
  C      -1.431202      0.678529      6.803905
  C      -2.143486     -0.427331      6.053958
  C      -1.835845      3.027683      7.382296
  C      -1.771709      3.656520      6.001934
  N      -3.082950      3.545321      5.337728
  H      -1.399720     -1.023226      5.499600
  H      -2.648067     -1.127313      6.746428
  H      -0.741102      1.187209      6.117249
  H      -0.843221      0.287500      7.652186
  H      -1.488364      4.714558      6.104506
  H      -0.989793      3.182199      5.385830
  H      -2.500731      3.629167      8.014882
  H      -0.844252      2.986589      7.865684
  H      -5.153484      1.465805      9.246100
  H      -4.405235      3.005267      8.795244
  H      -3.319575      0.166701      8.391050
  H      -2.581186      1.454367      9.379640
  C      -3.496689     -0.814108      4.072252
  C      -2.523147     -0.778297      2.885541
  C      -2.741627      0.401865      1.956974
  O      -4.027317      0.184045      1.319398
  C      -4.339897      0.712516      0.113896
  C      -5.294702      0.024192     -0.621059
  C      -5.721129      0.521495     -1.863426
  N      -5.279155      1.639320     -2.420035
  C      -4.347928      2.336421     -1.713835
  C      -3.864412      3.553615     -2.255959
  C      -2.932289      4.285039     -1.558616
  C      -2.482114      3.794753     -0.311483
  N      -2.903134      2.667491      0.240965
  C      -3.823716      1.930200     -0.436821
  C      -3.503653      4.853885      4.802244
  C      -4.753846      4.891366      3.934069
  C      -4.407109      4.649654      2.467888
  O      -5.517596      4.236899      1.651905
  C      -6.442681      5.147369      1.290529
  C      -6.499157      6.468785      1.711947
  C      -7.572716      7.283102      1.290667
  N      -8.557948      6.898069      0.496355
  C      -8.486633      5.618368      0.021744
  C      -9.476784      5.165518     -0.883994
  C      -9.375762      3.900112     -1.416574
  C      -8.288115      3.085680     -1.031794
  N      -7.359788      3.448287     -0.160357
  C      -7.448059      4.695399      0.368015
  C      -6.574288      2.162492      7.181168
  C      -6.871143      3.678292      7.090806
  C      -8.111786      3.987849      6.268407
  O      -7.884373      3.421955      4.958574
  C      -8.910883      3.333891      4.090038
  C     -10.081912      4.070608      4.138366
  C     -11.067476      3.850764      3.150021
  N     -10.990072      2.949628      2.184408
  C      -9.852651      2.197071      2.140607
  C      -9.737829      1.166861      1.175380
  C      -8.595060      0.398780      1.130649
  C      -7.551142      0.676018      2.034894
  N      -7.627703      1.619848      2.962547
  C      -8.760080      2.370294      3.042811
  H      -3.515119     -1.830183      4.503975
  H      -4.511053     -0.591224      3.721644
  H      -1.483996     -0.747405      3.250856
  H      -2.628469     -1.709228      2.307374
  H      -1.957441      0.460502      1.192203
  H      -2.759275      1.359386      2.497104
  H      -5.694497     -0.912105     -0.232556
  H      -6.465214     -0.042986     -2.433459
  H      -4.257583      3.877249     -3.221901
  H      -2.541291      5.226355     -1.949223
  H      -1.741593      4.364105      0.257834
  H      -2.659311      5.273516      4.222368
  H      -3.637196      5.528461      5.669283
  H      -5.230477      5.871020      4.071055
  H      -5.482085      4.140087      4.263457
  H      -3.702609      3.810929      2.377765
  H      -3.936777      5.543195      2.019553
  H      -5.743536      6.896384      2.367680
  H      -7.614223      8.317290      1.649596
  H     -10.285964      5.847595     -1.147666
  H     -10.111292      3.524081     -2.129240
  H      -8.178239      2.088135     -1.464743
  H      -7.031117      1.740469      8.092652
  H      -7.027648      1.660388      6.319043
  H      -6.010385      4.175727      6.616612
  H      -6.990876      4.129035      8.088259
  H      -8.266814      5.074416      6.188763
  H      -9.020522      3.531686      6.695683
  H     -10.253858      4.818893      4.911060
  H     -11.978006      4.457334      3.175112
  H     -10.571270      1.013146      0.488088
  H      -8.476773     -0.400368      0.399263
  H      -6.616426      0.110042      2.001965
  N      -5.339781      1.856497      4.391615
  H      -6.279468      1.821618      3.813679
100
Coordinates from ORCA-job orca E -6429.406644043206
  N      -3.131467      0.138671      5.130612
  Mo     -4.053438      1.835092      5.524420
  N      -5.137824      1.847478      7.173705
  C      -4.505721      1.946629      8.487520
  C      -3.154872      1.253056      8.458852
  N      -2.419661      1.679962      7.250032
  C      -1.425572      0.682874      6.795436
  C      -2.137487     -0.425256      6.047876
  C      -1.833069      3.032246      7.374840
  C      -1.774504      3.663111      5.994880
  N      -3.087471      3.549430      5.335551
  H      -1.393397     -1.019313      5.490629
  H      -2.638283     -1.126729      6.742667
  H      -0.737668      1.192795      6.107081
  H      -0.835327      0.293535      7.642950
  H      -1.493753      4.722376      6.097895
  H      -0.993481      3.191623      5.375146
  H      -2.496987      3.632283      8.010391
  H      -0.840070      2.992242      7.855022
  H      -5.145585      1.464650      9.246511
  H      -4.400072      3.005558      8.794190
  H      -3.311428      0.167929      8.386473
  H      -2.571651      1.456187      9.373688
  C      -3.504647     -0.816473      4.074993
  C      -2.534826     -0.789642      2.885146
  C      -2.743084      0.394130      1.958650
  O      -4.035391      0.195517      1.329185
  C      -4.344818      0.725384      0.122855
  C      -5.303546      0.042652     -0.613318
  C      -5.727388      0.543807     -1.855554
  N      -5.278478      1.659621     -2.410749
  C      -4.342492      2.350867     -1.703674
  C      -3.849211      3.563902     -2.245269
  C      -2.911950      4.289528     -1.546634
  C      -2.467138      3.797898     -0.298583
  N      -2.896685      2.673845      0.252806
  C      -3.821255      1.941196     -0.426531
  C      -3.514164      4.856217      4.807008
  C      -4.764151      4.890720      3.937125
  C      -4.413596      4.648479      2.471147
  O      -5.523139      4.235248      1.653626
  C      -6.442584      5.147999      1.284672
  C      -6.489208      6.473508      1.694131
  C      -7.553750      7.293477      1.260888
  N      -8.538604      6.910307      0.465508
  C      -8.477970      5.625013      0.004577
  C      -9.469070      5.172775     -0.900367
  C      -9.380407      3.900087     -1.417617
  C      -8.304157      3.077646     -1.018214
  N      -7.374635      3.440453     -0.147717
  C      -7.450312      4.695220      0.365072
  C      -6.571672      2.157014      7.182217
  C      -6.873844      3.671479      7.092772
  C      -8.114091      3.979564      6.269233
  O      -7.882927      3.415855      4.958595
  C      -8.910187      3.326298      4.090923
  C     -10.080060      4.064509      4.139334
  C     -11.068516      3.842723      3.153586
  N     -10.993879      2.939039      2.190104
  C      -9.856577      2.185923      2.145597
  C      -9.743786      1.153953      1.181917
  C      -8.600456      0.386610      1.135547
  C      -7.554648      0.665752      2.037069
  N      -7.629725      1.610551      2.963814
  C      -8.762044      2.360597      3.045441
  H      -3.525748     -1.830140      4.511849
  H      -4.519007     -0.590704      3.725583
  H      -1.494086     -0.770712      3.246848
  H      -2.652683     -1.718943      2.305715
  H      -1.963364      0.443351      1.188588
  H      -2.744570      1.350550      2.500154
  H      -5.708313     -0.892717     -0.226061
  H      -6.474980     -0.016535     -2.426651
  H      -4.238560      3.888873     -3.211900
  H      -2.513289      5.227128     -1.936919
  H      -1.724317      4.363819      0.272954
  H      -2.670559      5.281910      4.231020
  H      -3.651212      5.525802      5.676440
  H      -5.242554      5.870466      4.072905
  H      -5.493277      4.137820      4.264615
  H      -3.708298      3.811184      2.382395
  H      -3.942536      5.541722      2.023843
  H      -5.732112      6.900660      2.348626
  H      -7.587095      8.331516      1.609393
  H     -10.269632      5.860835     -1.175037
  H     -10.117769      3.523888     -2.128433
  H      -8.206261      2.072914     -1.437311
  H      -7.026162      1.732558      8.093552
  H      -7.024187      1.654119      6.319761
  H      -6.014776      4.171262      6.620468
  H      -6.996445      4.120324      8.089324
  H      -8.271339      5.067216      6.189511
  H      -9.022805      3.521395      6.695819
  H     -10.249547      4.814415      4.910966
  H     -11.979350      4.449387      3.179436
  H     -10.579205      0.998228      0.497103
  H      -8.483849     -0.414049      0.405510
  H      -6.620098      0.100381      2.002753
  N      -5.342516      1.854278      4.392883
  H      -6.280477      1.818261      3.812120
100
Coordinates from ORCA-job orca E -6429.406659764397
  N      -3.126163      0.138091      5.130550
  Mo     -4.056412      1.830351      5.526952
  N      -5.135817      1.838118      7.180067
  C      -4.499974      1.937108      8.491687
  C      -3.146405      1.248931      8.456942
  N      -2.416755      1.683052      7.247719
  C      -1.416823      0.694646      6.788422
  C      -2.122081     -0.416967      6.039998
  C      -1.840471      3.038995      7.375130
  C      -1.787259      3.672412      5.993741
  N      -3.101135      3.552743      5.335461
  H      -1.377185     -1.001271      5.477392
  H      -2.611413     -1.123248      6.734369
  H      -0.735096      1.211527      6.099987
  H      -0.821493      0.308221      7.633581
  H      -1.513928      4.734643      6.097351
  H      -1.001867      3.205632      5.371647
  H      -2.509405      3.634094      8.013198
  H      -0.845873      3.004318      7.855573
  H      -5.135851      1.451201      9.251714
  H      -4.397265      2.995894      8.800200
  H      -3.298286      0.163540      8.381542
  H      -2.561176      1.451909      9.370407
  C      -3.501798     -0.822578      4.080314
  C      -2.539149     -0.797895      2.883615
  C      -2.744339      0.391208      1.962081
  O      -4.046803      0.211248      1.347163
  C      -4.355252      0.740492      0.138978
  C      -5.316222      0.060182     -0.596750
  C      -5.739089      0.564303     -1.838763
  N      -5.284597      1.678908     -2.394854
  C      -4.343484      2.365590     -1.689461
  C      -3.836589      3.570764     -2.234651
  C      -2.891966      4.289776     -1.537567
  C      -2.455207      3.800723     -0.287216
  N      -2.895710      2.682521      0.266401
  C      -3.825791      1.954746     -0.411818
  C      -3.534347      4.857606      4.801944
  C      -4.778289      4.885716      3.923751
  C      -4.416227      4.639012      2.463031
  O      -5.524990      4.235285      1.640253
  C      -6.434058      5.154262      1.262935
  C      -6.466653      6.482466      1.662774
  C      -7.519642      7.312522      1.219453
  N      -8.506342      6.936752      0.423847
  C      -8.461092      5.646278     -0.024530
  C      -9.456625      5.199321     -0.926698
  C      -9.383630      3.919752     -1.430969
  C      -8.318979      3.084931     -1.020738
  N      -7.386287      3.443418     -0.152481
  C      -7.446114      4.705604      0.346778
  C      -6.570350      2.144747      7.192661
  C      -6.874782      3.660280      7.099449
  C      -8.114844      3.966069      6.274908
  O      -7.882708      3.402907      4.965186
  C      -8.911147      3.313588      4.099123
  C     -10.082049      4.050859      4.151675
  C     -11.075246      3.826605      3.170575
  N     -11.003417      2.922091      2.207680
  C      -9.864519      2.170725      2.158474
  C      -9.755383      1.136981      1.196132
  C      -8.611713      0.371574      1.145155
  C      -7.560971      0.655159      2.039380
  N      -7.631981      1.600959      2.965330
  C      -8.765796      2.348103      3.052915
  H      -3.515683     -1.834416      4.520703
  H      -4.519166     -0.602392      3.738160
  H      -1.495751     -0.788015      3.237644
  H      -2.667652     -1.725255      2.302701
  H      -1.973318      0.432881      1.183052
  H      -2.728511      1.346683      2.505541
  H      -5.723546     -0.876321     -0.209535
  H      -6.489677      0.006285     -2.409068
  H      -4.219501      3.893473     -3.202944
  H      -2.481248      5.219171     -1.931037
  H      -1.708221      4.362322      0.284191
  H      -2.689416      5.287983      4.231348
  H      -3.682619      5.526868      5.669174
  H      -5.260403      5.865562      4.050512
  H      -5.508379      4.132188      4.248669
  H      -3.716128      3.796405      2.379468
  H      -3.935372      5.528135      2.019812
  H      -5.707668      6.904928      2.317076
  H      -7.541791      8.353178      1.559618
  H     -10.247338      5.896724     -1.209902
  H     -10.124029      3.547563     -2.139954
  H      -8.233133      2.073936     -1.430658
  H      -7.021694      1.720758      8.107090
  H      -7.024117      1.638883      6.332933
  H      -6.015650      4.160108      6.625290
  H      -6.998924      4.112372      8.095013
  H      -8.273276      5.053215      6.192596
  H      -9.022675      3.508726      6.701771
  H     -10.249950      4.800148      4.924098
  H     -11.987995      4.431396      3.200580
  H     -10.593578      0.978180      0.516270
  H      -8.497800     -0.430480      0.416089
  H      -6.625542      0.092618      1.999138
  N      -5.350086      1.842489      4.400686
  H      -6.286680      1.802333      3.818269
100
Coordinates from ORCA-job orca E -6429.406732715698
  N      -3.126211      0.144199      5.126632
  Mo     -4.055503      1.836154      5.527913
  N      -5.138294      1.837027      7.179008
  C      -4.504727      1.930399      8.492117
  C      -3.150815      1.242650      8.456629
  N      -2.418864      1.681965      7.250196
  C      -1.418028      0.695219      6.788255
  C      -2.122584     -0.414279      6.035659
  C      -1.842664      3.037620      7.384017
  C      -1.788651      3.678778      6.007073
  N      -3.101266      3.560089      5.346589
  H      -1.376348     -0.996925      5.472159
  H      -2.613243     -1.123484      6.727422
  H      -0.735295      1.214770      6.102420
  H      -0.823594      0.305886      7.632666
  H      -1.517544      4.740795      6.117654
  H      -1.001808      3.217952      5.383521
  H      -2.511600      3.628778      8.024882
  H      -0.848443      3.001155      7.863993
  H      -5.141789      1.440898      9.249122
  H      -4.402743      2.987999      8.805644
  H      -3.302335      0.157298      8.376730
  H      -2.567160      1.442110      9.371919
  C      -3.502586     -0.814178      4.074133
  C      -2.539246     -0.789778      2.878879
  C      -2.744800      0.396120      1.954485
  O      -4.047657      0.213710      1.338968
  C      -4.355869      0.737906      0.129083
  C      -5.314830      0.053979     -0.605997
  C      -5.740817      0.555657     -1.847683
  N      -5.291318      1.671303     -2.403941
  C      -4.351532      2.361205     -1.699860
  C      -3.850979      3.568948     -2.245856
  C      -2.909235      4.292246     -1.549510
  C      -2.468689      3.804457     -0.299096
  N      -2.903242      2.684171      0.255041
  C      -3.830725      1.952583     -0.422606
  C      -3.532529      4.864287      4.815161
  C      -4.776017      4.891297      3.935757
  C      -4.416127      4.630614      2.474929
  O      -5.529293      4.228376      1.655789
  C      -6.427992      5.152902      1.266711
  C      -6.447265      6.485911      1.652000
  C      -7.489415      7.322241      1.195977
  N      -8.477036      6.948233      0.400669
  C      -8.444074      5.652686     -0.034152
  C      -9.439970      5.207032     -0.936393
  C      -9.378106      3.922220     -1.428414
  C      -8.324375      3.080998     -1.006058
  N      -7.392251      3.438200     -0.136642
  C      -7.441149      4.705517      0.350949
  C      -6.572690      2.144492      7.190180
  C      -6.876205      3.659383      7.102156
  C      -8.115139      3.968921      6.277159
  O      -7.885489      3.402921      4.967321
  C      -8.916219      3.308133      4.104438
  C     -10.089030      4.041647      4.157750
  C     -11.082952      3.811517      3.178998
  N     -11.009706      2.905392      2.217635
  C      -9.868565      2.158366      2.167409
  C      -9.755807      1.124603      1.205354
  C      -8.606969      0.366307      1.150824
  C      -7.556168      0.655600      2.042975
  N      -7.631203      1.600542      2.969717
  C      -8.769028      2.341646      3.059397
  H      -3.518159     -1.826552      4.514179
  H      -4.519634     -0.592981      3.730402
  H      -1.497166     -0.775959      3.235827
  H      -2.663797     -1.717710      2.299930
  H      -1.973646      0.435974      1.174831
  H      -2.729104      1.352466      2.496736
  H      -5.719618     -0.881928     -0.218021
  H      -6.490758     -0.004301     -2.416916
  H      -4.236988      3.890716     -3.214094
  H      -2.503505      5.224296     -1.943500
  H      -1.724114      4.369340      0.271999
  H      -2.687159      5.296367      4.246903
  H      -3.681948      5.532176      5.683359
  H      -5.251052      5.874205      4.055335
  H      -5.510610      4.145239      4.266722
  H      -3.721810      3.782538      2.396464
  H      -3.928176      5.513366      2.024794
  H      -5.685775      6.907650      2.304238
  H      -7.501222      8.366883      1.524800
  H     -10.221358      5.909671     -1.229971
  H     -10.118897      3.550830     -2.137248
  H      -8.247469      2.065765     -1.407025
  H      -7.025272      1.717655      8.102076
  H      -7.025739      1.641800      6.328063
  H      -6.016144      4.159982      6.632669
  H      -7.001617      4.107379      8.098273
  H      -8.268475      5.056804      6.193480
  H      -9.025374      3.515948      6.704949
  H     -10.257371      4.792944      4.928245
  H     -11.995863      4.414054      3.208662
  H     -10.594123      0.960792      0.527388
  H      -8.489121     -0.434922      0.420917
  H      -6.616418      0.098982      1.999515
  N      -5.347286      1.854408      4.399576
  H      -6.282258      1.816886      3.814078
100
Coordinates from ORCA-job orca E -6429.406791379310
  N      -3.121029      0.151751      5.123191
  Mo     -4.055827      1.839312      5.529827
  N      -5.140609      1.827139      7.179646
  C      -4.507977      1.914857      8.493551
  C      -3.151164      1.233445      8.454957
  N      -2.419518      1.683503      7.252221
  C      -1.413846      0.703523      6.786138
  C      -2.113513     -0.406694      6.029579
  C      -1.849683      3.040997      7.394541
  C      -1.800766      3.693125      6.024559
  N      -3.111062      3.568840      5.361302
  H      -1.363978     -0.985040      5.462301
  H      -2.601745     -1.121718      6.720090
  H      -0.732125      1.228965      6.103415
  H      -0.818941      0.312833      7.629636
  H      -1.539044      4.755638      6.145579
  H      -1.010885      3.245998      5.397992
  H      -2.519488      3.623097      8.040373
  H      -0.855208      3.007321      7.871902
  H      -5.142951      1.417906      9.247172
  H      -4.410625      2.970714      8.814062
  H      -3.298243      0.148097      8.367537
  H      -2.569376      1.429078      9.372320
  C      -3.496194     -0.806081      4.070818
  C      -2.534342     -0.778958      2.874891
  C      -2.745985      0.404410      1.948944
  O      -4.051162      0.220092      1.339810
  C      -4.362376      0.738695      0.128170
  C      -5.320603      0.050780     -0.604168
  C      -5.752069      0.549197     -1.844899
  N      -5.308218      1.665046     -2.402963
  C      -4.367882      2.358206     -1.702696
  C      -3.874513      3.568640     -2.251136
  C      -2.934299      4.296718     -1.557961
  C      -2.487288      3.810181     -0.308205
  N      -2.914924      2.687531      0.247936
  C      -3.841865      1.952608     -0.426585
  C      -3.543874      4.870656      4.827391
  C      -4.781894      4.892581      3.940714
  C      -4.414032      4.613713      2.485916
  O      -5.525398      4.217861      1.663883
  C      -6.404371      5.152732      1.254680
  C      -6.400044      6.491803      1.619268
  C      -7.424842      7.339684      1.146284
  N      -8.417415      6.970852      0.353871
  C      -8.407396      5.668122     -0.060228
  C      -9.411455      5.225518     -0.955802
  C      -9.373514      3.932156     -1.425597
  C      -8.334442      3.080667     -0.989348
  N      -7.396571      3.434616     -0.124416
  C      -7.422757      4.709694      0.342247
  C      -6.575103      2.134594      7.191511
  C      -6.879442      3.649353      7.107785
  C      -8.117175      3.961632      6.282093
  O      -7.890703      3.393626      4.972912
  C      -8.923728      3.297252      4.113334
  C     -10.099674      4.024759      4.172080
  C     -11.096083      3.790138      3.196595
  N     -11.022325      2.885573      2.233762
  C      -9.877061      2.145697      2.177533
  C      -9.762253      1.114076      1.213773
  C      -8.608448      0.364272      1.152747
  C      -7.555313      0.659091      2.040838
  N      -7.632888      1.600915      2.970058
  C      -8.774817      2.334220      3.065365
  H      -3.507740     -1.818232      4.511013
  H      -4.514867     -0.588566      3.727865
  H      -1.491718     -0.756750      3.232264
  H      -2.652268     -1.709392      2.297833
  H      -1.979141      0.442407      1.165141
  H      -2.727955      1.361563      2.488635
  H      -5.721731     -0.884717     -0.214255
  H      -6.502240     -0.012957     -2.411294
  H      -4.265803      3.889586     -3.218548
  H      -2.534435      5.232167     -1.953834
  H      -1.744036      4.378564      0.260811
  H      -2.697048      5.306079      4.263189
  H      -3.701155      5.538861      5.694776
  H      -5.250796      5.880852      4.044760
  H      -5.522894      4.155096      4.276970
  H      -3.729964      3.757791      2.420810
  H      -3.912879      5.486603      2.031425
  H      -5.632803      6.910002      2.267885
  H      -7.418203      8.389520      1.458794
  H     -10.180206      5.936727     -1.261081
  H     -10.122101      3.561780     -2.127707
  H      -8.275800      2.059456     -1.374325
  H      -7.026732      1.705356      8.102293
  H      -7.028566      1.633883      6.328212
  H      -6.018047      4.152023      6.643299
  H      -7.007745      4.094234      8.105174
  H      -8.266264      5.049702      6.197088
  H      -9.028754      3.512879      6.710768
  H     -10.269275      4.774239      4.944124
  H     -12.013263      4.386793      3.231481
  H     -10.603337      0.944367      0.539693
  H      -8.489262     -0.435136      0.421839
  H      -6.612675      0.108936      1.992819
  N      -5.346439      1.858494      4.400243
  H      -6.280348      1.818319      3.812236
100
Coordinates from ORCA-job orca E -6429.406870615896
  N      -3.117339      0.161528      5.119860
  Mo     -4.059624      1.842748      5.536851
  N      -5.143272      1.815923      7.187754
  C      -4.509285      1.895746      8.501193
  C      -3.149740      1.220575      8.455603
  N      -2.420740      1.684836      7.256630
  C      -1.408875      0.715219      6.782486
  C      -2.101411     -0.394445      6.018374
  C      -1.860731      3.044986      7.409866
  C      -1.816603      3.709513      6.045548
  N      -3.124946      3.579046      5.378945
  H      -1.349463     -0.959599      5.443373
  H      -2.580339     -1.119940      6.703097
  H      -0.730737      1.250330      6.103820
  H      -0.811127      0.322019      7.622810
  H      -1.566130      4.773486      6.176891
  H      -1.021197      3.276415      5.415855
  H      -2.534744      3.616711      8.060749
  H      -0.865604      3.014913      7.886575
  H      -5.141028      1.390093      9.251843
  H      -4.415926      2.949407      8.830139
  H      -3.292330      0.135450      8.358334
  H      -2.568311      1.410293      9.374434
  C      -3.492163     -0.795923      4.065793
  C      -2.534466     -0.766327      2.866915
  C      -2.749257      0.415029      1.940049
  O      -4.058926      0.233018      1.336623
  C      -4.370680      0.745226      0.122669
  C      -5.324540      0.051041     -0.608873
  C      -5.761524      0.547944     -1.848250
  N      -5.325598      1.667037     -2.406380
  C      -4.386501      2.364225     -1.708759
  C      -3.898166      3.575981     -2.259070
  C      -2.958117      4.306385     -1.568786
  C      -2.507123      3.821663     -0.319535
  N      -2.930163      2.698417      0.238270
  C      -3.856251      1.960702     -0.433895
  C      -3.560526      4.877571      4.839780
  C      -4.792090      4.890327      3.944259
  C      -4.415919      4.583956      2.496916
  O      -5.528617      4.198963      1.671633
  C      -6.380519      5.147101      1.236157
  C      -6.343887      6.493289      1.572338
  C      -7.342397      7.357163      1.073065
  N      -8.338693      6.996976      0.281437
  C      -8.360063      5.685529     -0.104191
  C      -9.370332      5.249240     -0.996025
  C      -9.363711      3.945171     -1.436995
  C      -8.349131      3.077572     -0.976682
  N      -7.407753      3.425883     -0.113528
  C      -7.403671      4.711047      0.325601
  C      -6.577458      2.123564      7.203446
  C      -6.881827      3.638145      7.123235
  C      -8.119979      3.952176      6.298812
  O      -7.899294      3.380566      4.990191
  C      -8.935311      3.281789      4.134810
  C     -10.115872      4.000967      4.201294
  C     -11.114050      3.761943      3.229594
  N     -11.038139      2.860727      2.263791
  C      -9.887847      2.129799      2.199422
  C      -9.769170      1.101907      1.232039
  C      -8.608450      0.363424      1.160965
  C      -7.553547      0.664489      2.044101
  N      -7.635317      1.601424      2.978070
  C      -8.783221      2.324200      3.082118
  H      -3.499260     -1.809084      4.505618
  H      -4.512421     -0.582016      3.725752
  H      -1.491739     -0.740515      3.222270
  H      -2.650083     -1.697246      2.291440
  H      -1.986621      0.447664      1.151512
  H      -2.724332      1.373369      2.477846
  H      -5.719355     -0.887348     -0.218867
  H      -6.509648     -0.018028     -2.413131
  H      -4.292062      3.895093     -3.226033
  H      -2.560587      5.241733     -1.966686
  H      -1.764355      4.391699      0.247776
  H      -2.712365      5.317259      4.280861
  H      -3.728283      5.546551      5.704887
  H      -5.254327      5.883078      4.026812
  H      -5.540098      4.164204      4.288392
  H      -3.747690      3.714977      2.448520
  H      -3.893652      5.440706      2.035874
  H      -5.570722      6.905625      2.217822
  H      -7.310277      8.413171      1.362733
  H     -10.118389      5.973210     -1.321342
  H     -10.117775      3.578654     -2.135241
  H      -8.314332      2.047727     -1.340438
  H      -7.026198      1.693140      8.114568
  H      -7.033583      1.624073      6.341037
  H      -6.019593      4.142720      6.661633
  H      -7.011160      4.080750      8.122007
  H      -8.265019      5.040337      6.211851
  H      -9.032242      3.507978      6.731024
  H     -10.287913      4.747115      4.976032
  H     -12.034550      4.352199      3.270382
  H     -10.612533      0.925388      0.562837
  H      -8.485948     -0.432515      0.426637
  H      -6.606212      0.123348      1.988343
  N      -5.351415      1.863301      4.408747
  H      -6.284325      1.823238      3.818564
100
Coordinates from ORCA-job orca E -6429.406978796147
  N      -3.109387      0.174779      5.115989
  Mo     -4.063305      1.846303      5.544513
  N      -5.145186      1.801247      7.196863
  C      -4.509292      1.870760      8.509675
  C      -3.145869      1.204260      8.454714
  N      -2.420612      1.688204      7.261252
  C      -1.399469      0.734195      6.776531
  C      -2.080520     -0.375899      6.002676
  C      -1.875416      3.052080      7.429058
  C      -1.835838      3.731293      6.070758
  N      -3.140707      3.591515      5.398097
  H      -1.324799     -0.922294      5.415562
  H      -2.544421     -1.116590      6.680239
  H      -0.727258      1.282866      6.103228
  H      -0.797215      0.338731      7.612553
  H      -1.600789      4.797575      6.213974
  H      -1.032023      3.315494      5.438292
  H      -2.557171      3.610573      8.084487
  H      -0.880291      3.027753      7.907420
  H      -5.136573      1.353562      9.256327
  H      -4.421566      2.921458      8.849496
  H      -3.282451      0.119706      8.343398
  H      -2.565075      1.385463      9.375683
  C      -3.484125     -0.785380      4.064662
  C      -2.532095     -0.758185      2.861199
  C      -2.752024      0.418112      1.929368
  O      -4.066747      0.236253      1.336087
  C      -4.383450      0.742499      0.120370
  C      -5.333508      0.040337     -0.608602
  C      -5.778112      0.533102     -1.846724
  N      -5.352511      1.655034     -2.406369
  C      -4.415188      2.358962     -1.712773
  C      -3.936324      3.573653     -2.265193
  C      -2.997999      4.310304     -1.579090
  C      -2.539018      3.828801     -0.331636
  N      -2.953314      2.703157      0.228363
  C      -3.877932      1.959861     -0.439772
  C      -3.582427      4.887769      4.854551
  C      -4.804053      4.891787      3.946306
  C      -4.416092      4.555969      2.509602
  O      -5.529587      4.186677      1.676856
  C      -6.353705      5.147762      1.218031
  C      -6.286790      6.498064      1.531202
  C      -7.258555      7.377685      1.006699
  N      -8.255966      7.028758      0.212001
  C      -8.306653      5.711411     -0.150107
  C      -9.319910      5.283741     -1.042650
  C      -9.342433      3.971247     -1.458752
  C      -8.353469      3.087411     -0.974019
  N      -7.411475      3.428180     -0.109201
  C      -7.379217      4.721196      0.305995
  C      -6.579220      2.109362      7.216731
  C      -6.885143      3.624380      7.140227
  C      -8.122821      3.939389      6.315237
  O      -7.905038      3.367752      5.006671
  C      -8.943356      3.268172      4.153743
  C     -10.129266      3.977822      4.228747
  C     -11.131535      3.732804      3.262046
  N     -11.053706      2.835512      2.292738
  C      -9.896947      2.115380      2.218734
  C      -9.774400      1.091884      1.247090
  C      -8.608131      0.364075      1.166982
  C      -7.551469      0.670903      2.045669
  N      -7.636202      1.603398      2.983823
  C      -8.789279      2.316101      3.096155
  H      -3.485456     -1.797402      4.507211
  H      -4.506439     -0.576170      3.729337
  H      -1.487636     -0.727238      3.211075
  H      -2.646347     -1.692704      2.291449
  H      -1.995140      0.441574      1.134373
  H      -2.718912      1.380426      2.459994
  H      -5.720242     -0.900464     -0.217020
  H      -6.523919     -0.038532     -2.408934
  H      -4.335751      3.889949     -3.230621
  H      -2.606839      5.247595     -1.979255
  H      -1.797085      4.403313      0.232586
  H      -2.732490      5.336025      4.305258
  H      -3.766732      5.554486      5.717793
  H      -5.258908      5.888940      4.004307
  H      -5.561299      4.178986      4.295540
  H      -3.767695      3.671137      2.479685
  H      -3.867196      5.392600      2.043966
  H      -5.509922      6.902209      2.177091
  H      -7.202639      8.437503      1.277564
  H     -10.046547      6.020127     -1.388107
  H     -10.098921      3.610187     -2.156718
  H      -8.338935      2.050598     -1.320787
  H      -7.025315      1.677714      8.128828
  H      -7.037981      1.611233      6.355196
  H      -6.021915      4.133402      6.684573
  H      -7.019535      4.062496      8.140460
  H      -8.268724      5.027353      6.229040
  H      -9.034167      3.495289      6.748819
  H     -10.303452      4.720014      5.006788
  H     -12.056514      4.315080      3.309939
  H     -10.618604      0.909606      0.581644
  H      -8.482211     -0.427428      0.428203
  H      -6.599207      0.138959      1.982178
  N      -5.355498      1.867376      4.417003
  H      -6.286234      1.827762      3.823252
100
Coordinates from ORCA-job orca E -6429.407101653796
  N      -3.104047      0.185864      5.115068
  Mo     -4.069856      1.846630      5.555227
  N      -5.144583      1.786627      7.212090
  C      -4.503355      1.850059      8.522504
  C      -3.136044      1.193130      8.456155
  N      -2.419083      1.693487      7.264491
  C      -1.390087      0.753980      6.769360
  C      -2.061241     -0.358003      5.989517
  C      -1.888170      3.061435      7.441368
  C      -1.857673      3.751188      6.087679
  N      -3.159725      3.599038      5.412149
  H      -1.302520     -0.885735      5.390199
  H      -2.508318     -1.113009      6.661392
  H      -0.726245      1.314449      6.097651
  H      -0.780606      0.358586      7.600244
  H      -1.638101      4.819645      6.239079
  H      -1.047508      3.351598      5.452044
  H      -2.575464      3.608375      8.100954
  H      -0.892274      3.044352      7.918753
  H      -5.123764      1.323180      9.268037
  H      -4.421099      2.898741      8.869554
  H      -3.266461      0.108982      8.334369
  H      -2.552961      1.368959      9.376707
  C      -3.480038     -0.775925      4.064182
  C      -2.533653     -0.750874      2.855768
  C      -2.754994      0.423295      1.921659
  O      -4.073062      0.244754      1.335869
  C      -4.393559      0.749110      0.120075
  C      -5.342843      0.043683     -0.606477
  C      -5.793590      0.536264     -1.843050
  N      -5.375156      1.661377     -2.403191
  C      -4.437525      2.367755     -1.712340
  C      -3.964690      3.584463     -2.264344
  C      -3.024315      4.322030     -1.581824
  C      -2.557041      3.839499     -0.338266
  N      -2.966442      2.712323      0.222144
  C      -3.893142      1.968344     -0.442157
  C      -3.609860      4.891443      4.862093
  C      -4.821642      4.884297      3.941793
  C      -4.420326      4.524460      2.516125
  O      -5.529217      4.166160      1.672937
  C      -6.325818      5.138778      1.190881
  C      -6.228585      6.492232      1.481795
  C      -7.173908      7.386537      0.933424
  N      -8.172906      7.048447      0.135994
  C      -8.252751      5.726761     -0.203901
  C      -9.268906      5.308212     -1.097571
  C      -9.321344      3.988689     -1.489282
  C      -8.358589      3.089319     -0.979961
  N      -7.415082      3.422580     -0.114189
  C      -7.353831      4.721845      0.277394
  C      -6.578308      2.092983      7.239268
  C      -6.887717      3.607931      7.162745
  C      -8.128291      3.919390      6.340387
  O      -7.914172      3.349349      5.031677
  C      -8.953863      3.253246      4.179592
  C     -10.142625      3.956251      4.263245
  C     -11.147138      3.712585      3.298659
  N     -11.068910      2.822314      2.323201
  C      -9.908549      2.109227      2.239718
  C      -9.784375      1.092770      1.260881
  C      -8.614749      0.370781      1.171964
  C      -7.556214      0.676839      2.048812
  N      -7.642406      1.603209      2.993131
  C      -8.798849      2.309695      3.114375
  H      -3.479357     -1.787995      4.508060
  H      -4.503499     -0.567827      3.731480
  H      -1.487510     -0.722112      3.198560
  H      -2.653004     -1.685548      2.288740
  H      -2.001857      0.439670      1.122434
  H      -2.713691      1.387992      2.447935
  H      -5.724230     -0.899678     -0.214160
  H      -6.538696     -0.038035     -2.403580
  H      -4.369419      3.901231     -3.226922
  H      -2.637102      5.260053     -1.982310
  H      -1.812327      4.414108      0.222658
  H      -2.758973      5.346351      4.319664
  H      -3.809057      5.558326      5.721958
  H      -5.274810      5.883744      3.977713
  H      -5.585364      4.179779      4.294235
  H      -3.788055      3.628444      2.504566
  H      -3.849634      5.343360      2.046874
  H      -5.447888      6.887517      2.128410
  H      -7.094427      8.449177      1.186601
  H      -9.974261      6.056132     -1.462816
  H     -10.080716      3.633288     -2.186784
  H      -8.366366      2.045727     -1.307221
  H      -7.018690      1.662822      8.155069
  H      -7.041479      1.592665      6.381311
  H      -6.026272      4.121421      6.707222
  H      -7.023482      4.044068      8.164456
  H      -8.279809      5.006481      6.256566
  H      -9.035837      3.471072      6.777013
  H     -10.318415      4.691155      5.047526
  H     -12.075245      4.288859      3.354370
  H     -10.629403      0.910849      0.596800
  H      -8.487526     -0.414726      0.426788
  H      -6.601074      0.149712      1.979418
  N      -5.366118      1.863069      4.433003
  H      -6.297065      1.820992      3.840031
100
Coordinates from ORCA-job orca E -6429.407245697725
  N      -3.094698      0.200055      5.113117
  Mo     -4.074672      1.847230      5.566581
  N      -5.143739      1.769777      7.226496
  C      -4.498739      1.824856      8.535532
  C      -3.126480      1.179895      8.458019
  N      -2.418098      1.699733      7.269604
  C      -1.379517      0.777719      6.763163
  C      -2.038248     -0.336170      5.975588
  C      -1.904215      3.072373      7.457366
  C      -1.880318      3.773010      6.107963
  N      -3.177228      3.606609      5.426179
  H      -1.274889     -0.843344      5.364317
  H      -2.467137     -1.107214      6.640795
  H      -0.725863      1.352091      6.093179
  H      -0.761184      0.382904      7.587944
  H      -1.678056      4.843983      6.268146
  H      -1.061292      3.391079      5.471064
  H      -2.599895      3.606802      8.119501
  H      -0.908712      3.063342      7.936817
  H      -5.112511      1.285975      9.277903
  H      -4.423832      2.870829      8.891856
  H      -3.248467      0.096272      8.323946
  H      -2.542236      1.350075      9.378885
  C      -3.469532     -0.763076      4.064546
  C      -2.527220     -0.739844      2.852419
  C      -2.757504      0.428391      1.912268
  O      -4.076541      0.241340      1.332649
  C      -4.404653      0.744732      0.117656
  C      -5.352577      0.033779     -0.604886
  C      -5.809119      0.522780     -1.841398
  N      -5.399392      1.650349     -2.404173
  C      -4.464936      2.363380     -1.715857
  C      -4.003992      3.584318     -2.267146
  C      -3.065527      4.327215     -1.588044
  C      -2.587131      3.845649     -0.349221
  N      -2.986949      2.715455      0.211826
  C      -3.912814      1.967012     -0.447877
  C      -3.635997      4.894740      4.871974
  C      -4.839120      4.877196      3.941258
  C      -4.426772      4.496640      2.525831
  O      -5.530864      4.148536      1.671445
  C      -6.299677      5.132306      1.167518
  C      -6.172518      6.487391      1.438493
  C      -7.090086      7.395820      0.866232
  N      -8.088046      7.069522      0.062613
  C      -8.196487      5.745398     -0.257962
  C      -9.211939      5.337491     -1.157489
  C      -9.293751      4.012781     -1.527337
  C      -8.361076      3.097866     -0.990301
  N      -7.419063      3.422433     -0.119470
  C      -7.328482      4.726113      0.250144
  C      -6.577568      2.073877      7.259644
  C      -6.890266      3.588370      7.186855
  C      -8.134830      3.897327      6.369394
  O      -7.923516      3.329771      5.060065
  C      -8.962895      3.240011      4.206979
  C     -10.154826      3.936400      4.299864
  C     -11.160730      3.697885      3.335295
  N     -11.079774      2.818947      2.349799
  C      -9.915195      2.113025      2.255858
  C      -9.788865      1.107637      1.266097
  C      -8.619707      0.386473      1.172111
  C      -7.562337      0.684260      2.053111
  N      -7.649413      1.602737      3.005046
  C      -8.805917      2.307589      3.132012
  H      -3.465530     -1.773700      4.509310
  H      -4.494132     -0.556583      3.735034
  H      -1.477354     -0.706893      3.187953
  H      -2.646970     -1.679082      2.290102
  H      -2.006448      0.441222      1.111244
  H      -2.716657      1.397903      2.430092
  H      -5.726993     -0.912210     -0.209966
  H      -6.551068     -0.057103     -2.400066
  H      -4.415729      3.900129     -3.226548
  H      -2.687771      5.268308     -1.988271
  H      -1.841299      4.423272      0.206860
  H      -2.784224      5.356377      4.336390
  H      -3.848353      5.560899      5.729217
  H      -5.291788      5.878138      3.959158
  H      -5.609245      4.179648      4.295884
  H      -3.809693      3.590253      2.530896
  H      -3.835862      5.297859      2.053056
  H      -5.389436      6.872478      2.088183
  H      -6.987634      8.459892      1.103988
  H      -9.893917      6.096503     -1.544352
  H     -10.053605      3.664060     -2.227722
  H      -8.391307      2.048565     -1.298333
  H      -7.013685      1.643121      8.176729
  H      -7.043920      1.574314      6.403325
  H      -6.031376      4.106868      6.730899
  H      -7.025389      4.020198      8.191165
  H      -8.292477      4.984770      6.289679
  H      -9.038879      3.443307      6.809439
  H     -10.333194      4.660935      5.093278
  H     -12.093809      4.266844      3.400649
  H     -10.633925      0.931757      0.599684
  H      -8.492628     -0.391613      0.419638
  H      -6.608762      0.156320      1.982997
  N      -5.373631      1.858178      4.446970
  H      -6.304510      1.813297      3.855130
100
Coordinates from ORCA-job orca E -6429.407399049926
  N      -3.088658      0.213308      5.110656
  Mo     -4.079615      1.848485      5.578633
  N      -5.140600      1.754733      7.242680
  C      -4.490981      1.801862      8.550092
  C      -3.113964      1.169066      8.459847
  N      -2.417088      1.706094      7.272024
  C      -1.370769      0.799751      6.753960
  C      -2.019748     -0.316756      5.961487
  C      -1.917129      3.082664      7.468615
  C      -1.903067      3.793901      6.125695
  N      -3.194849      3.613048      5.439517
  H      -1.251701     -0.807088      5.340333
  H      -2.432515     -1.101536      6.622302
  H      -0.728577      1.386232      6.082918
  H      -0.742069      0.407118      7.571891
  H      -1.717172      4.866189      6.295414
  H      -1.077672      3.430960      5.486726
  H      -2.617325      3.604831      8.134744
  H      -0.921592      3.080728      7.946825
  H      -5.097693      1.251350      9.289379
  H      -4.422822      2.845058      8.915422
  H      -3.227692      0.085809      8.316109
  H      -2.525990      1.335905      9.378927
  C      -3.467445     -0.749381      4.063539
  C      -2.530050     -0.730315      2.847575
  C      -2.760751      0.436196      1.904189
  O      -4.078970      0.247137      1.328589
  C      -4.413076      0.750045      0.115468
  C      -5.365928      0.039431     -0.601276
  C      -5.826539      0.525661     -1.837183
  N      -5.420650      1.652955     -2.401789
  C      -4.485862      2.368833     -1.716035
  C      -4.038497      3.596410     -2.263325
  C      -3.101309      4.344409     -1.586135
  C      -2.607534      3.858629     -0.355231
  N      -2.996628      2.723010      0.203097
  C      -3.924294      1.972422     -0.452170
  C      -3.662466      4.896182      4.879876
  C      -4.855301      4.867902      3.937272
  C      -4.432234      4.466710      2.531586
  O      -5.533364      4.126063      1.669104
  C      -6.274575      5.119422      1.142368
  C      -6.117003      6.475588      1.391654
  C      -7.004504      7.396453      0.792625
  N      -7.999419      7.080896     -0.018857
  C      -8.138094      5.754836     -0.317282
  C      -9.150742      5.357180     -1.224130
  C      -9.264161      4.028192     -1.569028
  C      -8.367335      3.098234     -0.997935
  N      -7.427851      3.414795     -0.121016
  C      -7.304315      4.722565      0.222145
  C      -6.574996      2.054817      7.282266
  C      -6.892859      3.569255      7.210659
  C      -8.142242      3.873299      6.398530
  O      -7.931236      3.310983      5.088275
  C      -8.970683      3.225738      4.234835
  C     -10.164046      3.918070      4.334508
  C     -11.171014      3.685206      3.369551
  N     -11.088620      2.815740      2.376061
  C      -9.923014      2.113121      2.275482
  C      -9.796189      1.117004      1.276676
  C      -8.627453      0.394493      1.179173
  C      -7.570968      0.683192      2.064918
  N      -7.657824      1.595771      3.022655
  C      -8.813731      2.301262      3.153458
  H      -3.466967     -1.760254      4.508144
  H      -4.491119     -0.537370      3.735483
  H      -1.479058     -0.703147      3.174980
  H      -2.658962     -1.668930      2.287328
  H      -2.010076      0.448151      1.101557
  H      -2.718604      1.407268      2.419292
  H      -5.739983     -0.904421     -0.202814
  H      -6.569652     -0.055817     -2.393682
  H      -4.460911      3.915261     -3.217269
  H      -2.737006      5.293173     -1.982390
  H      -1.859607      4.438751      0.197142
  H      -2.810148      5.363911      4.350546
  H      -3.888094      5.562556      5.733866
  H      -5.306862      5.870692      3.936657
  H      -5.631211      4.177185      4.294126
  H      -3.828295      3.550913      2.552335
  H      -3.823908      5.251779      2.054024
  H      -5.332580      6.851305      2.045081
  H      -6.878535      8.461671      1.013339
  H      -9.805787      6.126559     -1.636662
  H     -10.022880      3.686296     -2.273844
  H      -8.424744      2.043162     -1.281492
  H      -7.006846      1.624281      8.202169
  H      -7.043912      1.553289      6.427564
  H      -6.038455      4.092006      6.750963
  H      -7.026177      3.998181      8.216447
  H      -8.309314      4.959930      6.323269
  H      -9.040697      3.410787      6.840576
  H     -10.342699      4.634137      5.135107
  H     -12.105734      4.249752      3.441193
  H     -10.640749      0.949199      0.606888
  H      -8.500271     -0.377110      0.419870
  H      -6.617767      0.153259      1.994344
  N      -5.383223      1.854689      4.464880
  H      -6.314935      1.804916      3.875538
100
Coordinates from ORCA-job orca E -6429.407425695370
  N      -3.063565      0.236840      5.113051
  Mo     -4.074806      1.855811      5.594492
  N      -5.133401      1.735283      7.258412
  C      -4.484248      1.775414      8.566570
  C      -3.098552      1.162641      8.467740
  N      -2.411042      1.722198      7.284502
  C      -1.350882      0.837997      6.756835
  C      -1.982985     -0.282308      5.956239
  C      -1.931967      3.104064      7.494714
  C      -1.927007      3.828734      6.159491
  N      -3.212472      3.631956      5.466718
  H      -1.207535     -0.753765      5.329214
  H      -2.379616     -1.080734      6.611104
  H      -0.720146      1.440624      6.088978
  H      -0.713671      0.449088      7.569894
  H      -1.761294      4.902369      6.341666
  H      -1.093048      3.488736      5.519122
  H      -2.640691      3.608911      8.164925
  H      -0.937377      3.112478      7.974251
  H      -5.083226      1.207723      9.299218
  H      -4.430322      2.815159      8.944323
  H      -3.197274      0.079453      8.312312
  H      -2.511455      1.327846      9.387671
  C      -3.442223     -0.733342      4.070936
  C      -2.508761     -0.722715      2.851291
  C      -2.753704      0.426565      1.890537
  O      -4.066912      0.207377      1.316892
  C      -4.412429      0.685838      0.097450
  C      -5.358937     -0.049547     -0.602338
  C      -5.834968      0.411557     -1.842087
  N      -5.452374      1.538249     -2.424148
  C      -4.525486      2.278900     -1.754190
  C      -4.108044      3.509299     -2.317455
  C      -3.180380      4.282993     -1.656086
  C      -2.663758      3.818373     -0.426667
  N      -3.024997      2.681189      0.146406
  C      -3.945941      1.907332     -0.490830
  C      -3.695052      4.913768      4.914517
  C      -4.880695      4.882481      3.963634
  C      -4.448373      4.484187      2.560791
  O      -5.546552      4.163461      1.687269
  C      -6.259797      5.171561      1.150125
  C      -6.073922      6.524437      1.397199
  C      -6.929102      7.464016      0.780527
  N      -7.917495      7.169410     -0.046574
  C      -8.084560      5.845820     -0.340832
  C      -9.090354      5.469389     -1.263817
  C      -9.233121      4.141531     -1.602032
  C      -8.373652      3.191048     -1.006553
  N      -7.440431      3.488741     -0.116643
  C      -7.286533      4.795435      0.218298
  C      -6.571507      2.017720      7.300002
  C      -6.908783      3.528831      7.232697
  C      -8.163030      3.820381      6.422922
  O      -7.944229      3.273053      5.107667
  C      -8.978443      3.196269      4.246621
  C     -10.169925      3.892230      4.342991
  C     -11.169793      3.673316      3.367422
  N     -11.082510      2.814069      2.365732
  C      -9.919657      2.106916      2.268666
  C      -9.788444      1.121509      1.259901
  C      -8.621495      0.394639      1.164890
  C      -7.571662      0.667880      2.064002
  N      -7.662775      1.571125      3.030184
  C      -8.816828      2.281017      3.158240
  H      -3.438678     -1.741928      4.522293
  H      -4.467205     -0.525825      3.743303
  H      -1.457253     -0.684159      3.172617
  H      -2.634423     -1.669219      2.304987
  H      -2.002138      0.438788      1.088852
  H      -2.727041      1.405095      2.391768
  H      -5.717386     -0.992256     -0.186666
  H      -6.572413     -0.189414     -2.385383
  H      -4.546475      3.810585     -3.269524
  H      -2.841350      5.235836     -2.063527
  H      -1.920995      4.417951      0.111763
  H      -2.845307      5.396808      4.394713
  H      -3.934228      5.570355      5.772365
  H      -5.333328      5.884966      3.960314
  H      -5.658330      4.190931      4.315020
  H      -3.855552      3.561629      2.581353
  H      -3.826481      5.263851      2.092113
  H      -5.290728      6.883490      2.061306
  H      -6.780986      8.526755      0.999189
  H      -9.716905      6.253235     -1.693642
  H      -9.987104      3.815536     -2.319117
  H      -8.456589      2.134872     -1.280564
  H      -6.998040      1.579534      8.219228
  H      -7.034391      1.512589      6.443865
  H      -6.062257      4.063501      6.772909
  H      -7.045902      3.952283      8.239894
  H      -8.347226      4.904493      6.356968
  H      -9.053871      3.340610      6.861329
  H     -10.351677      4.601273      5.148907
  H     -12.102200      4.241091      3.436457
  H     -10.627058      0.966954      0.579706
  H      -8.490291     -0.368290      0.397263
  H      -6.619395      0.133830      1.996724
  N      -5.379528      1.853037      4.482720
  H      -6.311886      1.794525      3.894989
100
Coordinates from ORCA-job orca E -6429.407450941852
  N      -3.046847      0.235713      5.117801
  Mo     -4.070185      1.848567      5.602935
  N      -5.122102      1.718148      7.270616
  C      -4.470538      1.757566      8.578018
  C      -3.076934      1.162247      8.471457
  N      -2.401486      1.730739      7.284720
  C      -1.332776      0.859428      6.751495
  C      -1.956812     -0.270141      5.957609
  C      -1.936507      3.118547      7.492160
  C      -1.940719      3.842420      6.156535
  N      -3.225316      3.632166      5.466325
  H      -1.177342     -0.740443      5.333391
  H      -2.344509     -1.068897      6.620126
  H      -0.713305      1.469215      6.079011
  H      -0.685570      0.480598      7.561142
  H      -1.784904      4.918303      6.338537
  H      -1.103850      3.511608      5.515128
  H      -2.648209      3.615662      8.165852
  H      -0.940561      3.137208      7.968644
  H      -5.061177      1.177572      9.308609
  H      -4.428107      2.795787      8.963230
  H      -3.160830      0.077386      8.316930
  H      -2.487347      1.335611      9.388336
  C      -3.423729     -0.742577      4.083838
  C      -2.494103     -0.727396      2.861381
  C      -2.763795      0.416988      1.901729
  O      -4.073138      0.167992      1.330573
  C      -4.448084      0.661670      0.126492
  C      -5.401668     -0.073123     -0.564017
  C      -5.914840      0.405449     -1.781096
  N      -5.562876      1.549003     -2.347584
  C      -4.631840      2.290394     -1.685314
  C      -4.254272      3.541767     -2.230718
  C      -3.327183      4.318695     -1.574715
  C      -2.768281      3.834186     -0.371494
  N      -3.089643      2.676657      0.182810
  C      -4.014215      1.901337     -0.446427
  C      -3.712880      4.906690      4.907820
  C      -4.903011      4.867873      3.961435
  C      -4.483425      4.445594      2.559873
  O      -5.596195      4.146883      1.696112
  C      -6.265203      5.167350      1.126443
  C      -6.026169      6.517027      1.340377
  C      -6.825436      7.473949      0.679100
  N      -7.805842      7.199423     -0.163651
  C      -8.028113      5.876039     -0.421160
  C      -9.026691      5.518941     -1.358667
  C      -9.224432      4.190019     -1.659933
  C      -8.431000      3.218374     -1.009079
  N      -7.505341      3.499193     -0.105687
  C      -7.293454      4.808314      0.189359
  C      -6.565473      1.981686      7.316075
  C      -6.922523      3.488097      7.262962
  C      -8.176114      3.772801      6.450501
  O      -7.930659      3.254705      5.125062
  C      -8.947357      3.183550      4.243276
  C     -10.137077      3.888605      4.314108
  C     -11.111238      3.687701      3.308258
  N     -11.000490      2.839039      2.299316
  C      -9.841200      2.121857      2.228707
  C      -9.687529      1.149094      1.211045
  C      -8.522923      0.416994      1.139867
  C      -7.498138      0.670863      2.073110
  N      -7.610092      1.560911      3.048565
  C      -8.762451      2.276648      3.152113
  H      -3.408671     -1.748769      4.538329
  H      -4.452697     -0.545490      3.762343
  H      -1.440269     -0.672071      3.179771
  H      -2.609860     -1.679302      2.318029
  H      -2.015549      0.452364      1.100247
  H      -2.762212      1.391767      2.407757
  H      -5.741493     -1.025617     -0.156079
  H      -6.658467     -0.193836     -2.316425
  H      -4.725058      3.856824     -3.162812
  H      -3.021626      5.289596     -1.965799
  H      -2.021500      4.433734      0.158307
  H      -2.865292      5.389080      4.383759
  H      -3.950639      5.568317      5.761485
  H      -5.341385      5.874648      3.948009
  H      -5.685360      4.190680      4.327867
  H      -3.912597      3.509003      2.587860
  H      -3.845251      5.208885      2.082948
  H      -5.239753      6.862080      2.008305
  H      -6.634670      8.534881      0.871043
  H      -9.602129      6.317500     -1.829725
  H      -9.973178      3.879236     -2.389256
  H      -8.562699      2.159339     -1.249851
  H      -6.987226      1.527475      8.229170
  H      -7.020066      1.479766      6.454284
  H      -6.082829      4.032466      6.807504
  H      -7.063680      3.902777      8.270360
  H      -8.375525      4.855259      6.400114
  H      -9.064439      3.271496      6.871484
  H     -10.333722      4.594360      5.120239
  H     -12.039702      4.264649      3.355595
  H     -10.506962      1.011451      0.504317
  H      -8.373337     -0.335645      0.365868
  H      -6.548034      0.132426      2.023011
  N      -5.380180      1.832105      4.496528
  H      -6.318718      1.760430      3.919535
100
Coordinates from ORCA-job orca E -6429.402738808711
  N      -3.069517      0.205209      5.071673
  Mo     -4.070525      1.834198      5.562587
  N      -5.115733      1.723077      7.236888
  C      -4.456536      1.754828      8.540724
  C      -3.069425      1.143544      8.426606
  N      -2.395411      1.699625      7.232673
  C      -1.340067      0.812473      6.694977
  C      -1.983086     -0.313093      5.909038
  C      -1.913662      3.085220      7.429565
  C      -1.913844      3.803625      6.088936
  N      -3.205930      3.606653      5.406782
  H      -1.211005     -0.802959      5.290474
  H      -2.382628     -1.100595      6.580692
  H      -0.715538      1.413184      6.018605
  H      -0.693081      0.429432      7.502526
  H      -1.740739      4.879400      6.263522
  H      -1.083765      3.456952      5.445957
  H      -2.615217      3.592815      8.108596
  H      -0.913752      3.093992      7.899787
  H      -5.049977      1.180694      9.275053
  H      -4.399726      2.792632      8.927844
  H      -3.162778      0.058075      8.279413
  H      -2.471796      1.316637      9.338419
  C      -3.444269     -0.747422      4.017008
  C      -2.489820     -0.703422      2.814888
  C      -2.727375      0.498635      1.919916
  O      -4.035675      0.309575      1.316771
  C      -4.407850      0.923319      0.168359
  C      -5.395403      0.286974     -0.569919
  C      -5.917772      0.898674     -1.720448
  N      -5.538643      2.080314     -2.179777
  C      -4.571151      2.724356     -1.471754
  C      -4.162308      4.009183     -1.907580
  C      -3.197846      4.687855     -1.203780
  C      -2.633540      4.071615     -0.064331
  N      -2.981591      2.878726      0.386497
  C      -3.945546      2.198651     -0.290157
  C      -3.666499      4.867011      4.809752
  C      -4.864547      4.799580      3.871906
  C      -4.467904      4.276279      2.494120
  O      -5.601358      3.954148      1.665923
  C      -6.239118      4.943891      1.013527
  C      -5.965018      6.298185      1.127678
  C      -6.724173      7.221137      0.379708
  N      -7.695980      6.909643     -0.459425
  C      -7.956795      5.576598     -0.613719
  C      -8.948891      5.177556     -1.540455
  C      -9.186259      3.836747     -1.737398
  C      -8.442560      2.895649     -0.990099
  N      -7.523276      3.217494     -0.093502
  C      -7.268497      4.540528      0.095274
  C      -6.558148      2.006509      7.294435
  C      -6.889954      3.516334      7.240325
  C      -8.163207      3.820223      6.467961
  O      -7.971461      3.266072      5.142648
  C      -9.008015      3.216851      4.283497
  C     -10.138796      4.019981      4.320565
  C     -11.137592      3.838052      3.334206
  N     -11.105280      2.922169      2.378457
  C     -10.008572      2.107563      2.346684
  C      -9.945099      1.063350      1.392217
  C      -8.844211      0.239547      1.359463
  C      -7.793226      0.467335      2.269279
  N      -7.821767      1.419630      3.188674
  C      -8.909736      2.231353      3.251751
  H      -3.445719     -1.762921      4.444919
  H      -4.467593     -0.531506      3.688673
  H      -1.437397     -0.678759      3.160086
  H      -2.609432     -1.631309      2.223362
  H      -1.970173      0.577979      1.135134
  H      -2.723816      1.435190      2.489655
  H      -5.762267     -0.687490     -0.246071
  H      -6.692409      0.379236     -2.290905
  H      -4.640300      4.425726     -2.795439
  H      -2.866728      5.680890     -1.508743
  H      -1.851939      4.588803      0.495100
  H      -2.812279      5.315714      4.266671
  H      -3.891382      5.563081      5.637916
  H      -5.270115      5.814234      3.802441
  H      -5.659816      4.168005      4.286212
  H      -3.923210      3.327305      2.580371
  H      -3.814072      4.996098      1.968476
  H      -5.178827      6.674879      1.779157
  H      -6.505350      8.287748      0.492796
  H      -9.486025      5.953330     -2.086503
  H      -9.930150      3.494541     -2.458109
  H      -8.612194      1.826943     -1.146155
  H      -6.976407      1.557748      8.209832
  H      -7.027858      1.511395      6.438756
  H      -6.056334      4.029959      6.747020
  H      -6.982345      3.950332      8.241278
  H      -8.328870      4.908009      6.398610
  H      -9.054892      3.355684      6.927079
  H     -10.267126      4.791021      5.081239
  H     -12.015148      4.493961      3.350410
  H     -10.781782      0.948262      0.701830
  H      -8.762972     -0.569196      0.634761
  H      -6.892783     -0.147668      2.244043
  N      -5.386655      1.830934      4.461204
  H      -6.335994      1.765915      3.897907
100
Coordinates from ORCA-job orca E -6429.407546983914
  N      -3.063275      0.239975      5.089947
  Mo     -4.078659      1.855348      5.589987
  N      -5.129231      1.716527      7.258133
  C      -4.476083      1.738408      8.564823
  C      -3.085175      1.139146      8.451809
  N      -2.410013      1.715525      7.269372
  C      -1.346040      0.843464      6.727805
  C      -1.977769     -0.277664      5.927873
  C      -1.940995      3.100624      7.489308
  C      -1.944538      3.838496      6.161677
  N      -3.230001      3.638022      5.469208
  H      -1.201323     -0.752732      5.303816
  H      -2.373147     -1.075210      6.587313
  H      -0.724001      1.455386      6.059741
  H      -0.699956      0.455701      7.534176
  H      -1.785558      4.911621      6.354679
  H      -1.109060      3.512204      5.517214
  H      -2.649833      3.592230      8.169331
  H      -0.944490      3.112179      7.964592
  H      -5.068472      1.152886      9.289211
  H      -4.428796      2.771663      8.962058
  H      -3.171783      0.055816      8.289644
  H      -2.493816      1.304219      9.369078
  C      -3.434185     -0.723524      4.039746
  C      -2.485585     -0.701046      2.831682
  C      -2.736315      0.450612      1.875789
  O      -4.029742      0.198102      1.267653
  C      -4.382244      0.709383      0.064318
  C      -5.317948     -0.018473     -0.657659
  C      -5.804689      0.475515     -1.879558
  N      -5.440513      1.626176     -2.423878
  C      -4.523782      2.358953     -1.732610
  C      -4.130912      3.615500     -2.256499
  C      -3.217734      4.382994     -1.570542
  C      -2.688073      3.883601     -0.359425
  N      -3.023694      2.720861      0.174499
  C      -3.935849      1.955257     -0.483908
  C      -3.711688      4.910982      4.906954
  C      -4.898125      4.858770      3.956519
  C      -4.469815      4.426366      2.560507
  O      -5.576925      4.100160      1.701287
  C      -6.256900      5.101811      1.111844
  C      -6.048745      6.457749      1.319279
  C      -6.853908      7.392740      0.634698
  N      -7.811896      7.091279     -0.224844
  C      -8.005640      5.761206     -0.472161
  C      -8.979533      5.376587     -1.425046
  C      -9.148689      4.041515     -1.714755
  C      -8.352881      3.091368     -1.036389
  N      -7.450389      3.397596     -0.117624
  C      -7.264772      4.713825      0.164275
  C      -6.570467      1.990724      7.312891
  C      -6.912281      3.500903      7.289670
  C      -8.181866      3.809099      6.512773
  O      -7.973328      3.302626      5.176184
  C      -9.016416      3.231449      4.326233
  C     -10.202693      3.937864      4.430516
  C     -11.207600      3.730797      3.457111
  N     -11.130015      2.873161      2.452378
  C      -9.973925      2.155030      2.350098
  C      -9.852613      1.172350      1.337563
  C      -8.688788      0.443179      1.233080
  C      -7.633502      0.708513      2.128222
  N      -7.715817      1.605399      3.100001
  C      -8.866027      2.318494      3.235846
  H      -3.428834     -1.733856      4.484845
  H      -4.458642     -0.519405      3.707160
  H      -1.438161     -0.649756      3.171087
  H      -2.592492     -1.648454      2.279025
  H      -1.968889      0.497116      1.092920
  H      -2.753834      1.420645      2.391375
  H      -5.665347     -0.976350     -0.269693
  H      -6.535665     -0.117744     -2.438625
  H      -4.579481      3.941195     -3.196412
  H      -2.901744      5.358438     -1.943299
  H      -1.955461      4.476363      0.197008
  H      -2.863419      5.394837      4.385498
  H      -3.956690      5.572927      5.758747
  H      -5.340708      5.864338      3.930724
  H      -5.677337      4.179796      4.328583
  H      -3.884169      3.499660      2.598705
  H      -3.843502      5.196586      2.079438
  H      -5.282728      6.824832      1.999507
  H      -6.688032      8.459070      0.821208
  H      -9.558757      6.159906     -1.916127
  H      -9.876731      3.710401     -2.456428
  H      -8.462557      2.028726     -1.268673
  H      -6.990739      1.522899      8.219327
  H      -7.034191      1.508241      6.444627
  H      -6.077208      4.040969      6.819374
  H      -7.023485      3.905683      8.305476
  H      -8.369691      4.894355      6.479004
  H      -9.065529      3.311783      6.947809
  H     -10.374736      4.647064      5.239358
  H     -12.134293      4.308393      3.530607
  H     -10.696140      1.024966      0.661278
  H      -8.563130     -0.316792      0.462355
  H      -6.685007      0.171090      2.051040
  N      -5.390667      1.852307      4.485742
  H      -6.332308      1.786615      3.913416
100
Coordinates from ORCA-job orca E -6429.403470191807
  N      -3.057171      0.259790      5.134005
  Mo     -4.044484      1.897335      5.605620
  N      -5.121974      1.785755      7.255860
  C      -4.490989      1.825145      8.572325
  C      -3.109366      1.197900      8.491133
  N      -2.401637      1.740827      7.311681
  C      -1.350354      0.840128      6.793131
  C      -1.992261     -0.271883      5.988761
  C      -1.902500      3.114948      7.524634
  C      -1.873486      3.839424      6.189225
  N      -3.155037      3.660981      5.485167
  H      -1.219666     -0.761049      5.373633
  H      -2.408583     -1.058904      6.643842
  H      -0.705497      1.432892      6.130126
  H      -0.724813      0.443077      7.611615
  H      -1.696600      4.910791      6.375019
  H      -1.037058      3.490129      5.555921
  H      -2.609172      3.631453      8.188796
  H      -0.912059      3.107477      8.013826
  H      -5.103044      1.261188      9.296739
  H      -4.435407      2.864390      8.950441
  H      -3.217855      0.115016      8.342428
  H      -2.530166      1.362791      9.416099
  C      -3.456095     -0.716287      4.106637
  C      -2.551751     -0.720284      2.865523
  C      -2.826626      0.423876      1.907269
  O      -4.160319      0.199734      1.380226
  C      -4.566842      0.703993      0.190023
  C      -5.563123     -0.007256     -0.463930
  C      -6.095529      0.475649     -1.673184
  N      -5.721830      1.600694     -2.267608
  C      -4.748224      2.318406     -1.641212
  C      -4.335739      3.544963     -2.216622
  C      -3.360545      4.294110     -1.597951
  C      -2.791038      3.809150     -0.400248
  N      -3.143690      2.674457      0.181635
  C      -4.112025      1.924715     -0.411733
  C      -3.610300      4.948305      4.924553
  C      -4.808468      4.935159      3.989179
  C      -4.414345      4.486844      2.591328
  O      -5.542199      4.211978      1.743474
  C      -6.181811      5.246846      1.165768
  C      -5.893002      6.591571      1.352473
  C      -6.676903      7.564961      0.694180
  N      -7.689177      7.308998     -0.117837
  C      -7.962916      5.989577     -0.344847
  C      -9.004675      5.648149     -1.242277
  C      -9.262840      4.319774     -1.502990
  C      -8.483166      3.335328     -0.855342
  N      -7.517355      3.602756      0.008686
  C      -7.247475      4.908428      0.264308
  C      -6.562961      2.047283      7.263006
  C      -6.924294      3.543680      7.118298
  C      -8.168882      3.762079      6.272228
  O      -7.910166      3.167620      4.981705
  C      -8.933783      3.021286      4.116567
  C     -10.152885      3.669640      4.198316
  C     -11.142918      3.390529      3.229704
  N     -11.019704      2.518185      2.243666
  C      -9.826589      1.861790      2.154447
  C      -9.655135      0.873514      1.154394
  C      -8.456150      0.203889      1.056258
  C      -7.415659      0.536349      1.945002
  N      -7.545310      1.437610      2.909616
  C      -8.731451      2.094279      3.040960
  H      -3.450283     -1.720056      4.567118
  H      -4.486020     -0.506186      3.798875
  H      -1.490320     -0.682792      3.158306
  H      -2.696145     -1.670950      2.328990
  H      -2.101009      0.434185      1.082585
  H      -2.787373      1.404799      2.404015
  H      -5.916808     -0.947942     -0.036066
  H      -6.870881     -0.107449     -2.181363
  H      -4.815771      3.861599     -3.142975
  H      -3.024503      5.243037     -2.014383
  H      -2.010402      4.388612      0.104869
  H      -2.753926      5.407895      4.394254
  H      -3.827756      5.618215      5.778258
  H      -5.221873      5.955546      3.964564
  H      -5.608114      4.284238      4.371107
  H      -3.870984      3.535972      2.622392
  H      -3.759995      5.223469      2.100361
  H      -5.082027      6.919890      1.999150
  H      -6.447243      8.622210      0.864116
  H      -9.568458      6.456801     -1.711513
  H     -10.048470      4.019080     -2.197354
  H      -8.662947      2.275977     -1.062227
  H      -7.002259      1.636582      8.187813
  H      -6.997750      1.502624      6.417123
  H      -6.080900      4.070508      6.640723
  H      -7.083216      4.016496      8.101635
  H      -8.382004      4.837274      6.156832
  H      -9.055412      3.275166      6.713192
  H     -10.365901      4.383302      4.992762
  H     -12.100371      3.918654      3.291356
  H     -10.490202      0.674226      0.480688
  H      -8.292131     -0.556344      0.292831
  H      -6.439551      0.052095      1.869256
  N      -5.343853      1.922579      4.487215
  H      -6.280898      1.884894      3.905317
100
Coordinates from ORCA-job orca E -6429.407769208035
  N      -3.079560      0.248769      5.088898
  Mo     -4.085151      1.867839      5.593832
  N      -5.135837      1.732560      7.262470
  C      -4.482148      1.754212      8.568069
  C      -3.098093      1.141137      8.456485
  N      -2.416645      1.711753      7.275416
  C      -1.360406      0.831444      6.733586
  C      -1.998622     -0.279748      5.925475
  C      -1.936094      3.091583      7.499242
  C      -1.934935      3.833675      6.173285
  N      -3.221667      3.644772      5.479619
  H      -1.226368     -0.751649      5.296311
  H      -2.397871     -1.080081      6.576088
  H      -0.730449      1.440097      6.070563
  H      -0.720818      0.433437      7.540351
  H      -1.770716      4.905214      6.369512
  H      -1.101176      3.503855      5.527287
  H      -2.641272      3.587840      8.179864
  H      -0.939234      3.093795      7.974687
  H      -5.079176      1.176938      9.294945
  H      -4.425268      2.788383      8.960643
  H      -3.196582      0.059198      8.293124
  H      -2.506237      1.299127      9.374640
  C      -3.459924     -0.713409      4.039779
  C      -2.522421     -0.691787      2.822307
  C      -2.770864      0.461607      1.867787
  O      -4.073972      0.227489      1.271860
  C      -4.427539      0.742825      0.069616
  C      -5.367575      0.019031     -0.650729
  C      -5.852898      0.514174     -1.873605
  N      -5.482272      1.661683     -2.422753
  C      -4.557981      2.388755     -1.735484
  C      -4.147902      3.636078     -2.267649
  C      -3.222534      4.395050     -1.588272
  C      -2.701496      3.899419     -0.372246
  N      -3.054284      2.745589      0.170826
  C      -3.973203      1.984940     -0.484345
  C      -3.697074      4.925099      4.922932
  C      -4.882739      4.883511      3.971812
  C      -4.451169      4.441169      2.581359
  O      -5.552322      4.122163      1.713634
  C      -6.215121      5.126322      1.108972
  C      -5.985050      6.482354      1.293418
  C      -6.782522      7.418799      0.600115
  N      -7.754219      7.117717     -0.244651
  C      -7.968553      5.786846     -0.469618
  C      -8.961732      5.399647     -1.402295
  C      -9.155581      4.061408     -1.664787
  C      -8.361088      3.112191     -0.983589
  N      -7.440980      3.421615     -0.084284
  C      -7.234372      4.739187      0.173679
  C      -6.573922      2.013622      7.318032
  C      -6.907240      3.524143      7.259241
  C      -8.172077      3.817156      6.469864
  O      -7.963270      3.272385      5.150417
  C      -9.006671      3.179376      4.303152
  C     -10.202339      3.868148      4.405641
  C     -11.210001      3.631558      3.442734
  N     -11.126014      2.762484      2.448877
  C      -9.957942      2.064073      2.345890
  C      -9.828361      1.069920      1.345561
  C      -8.655287      0.355766      1.243638
  C      -7.598317      0.649020      2.127704
  N      -7.687248      1.557554      3.088506
  C      -8.847676      2.255619      3.222293
  H      -3.453503     -1.724639      4.484740
  H      -4.486126     -0.507215      3.715406
  H      -1.472517     -0.646738      3.152066
  H      -2.637217     -1.637175      2.270389
  H      -2.010303      0.492717      1.076362
  H      -2.766869      1.434676      2.379581
  H      -5.715623     -0.939426     -0.262695
  H      -6.586722     -0.077014     -2.431328
  H      -4.589783      3.959538     -3.211061
  H      -2.888676      5.359995     -1.970683
  H      -1.961427      4.486795      0.181462
  H      -2.846207      5.404202      4.401434
  H      -3.937348      5.586687      5.776652
  H      -5.319108      5.892405      3.939170
  H      -5.669266      4.212551      4.343181
  H      -3.877942      3.508231      2.628072
  H      -3.810638      5.198639      2.101309
  H      -5.209843      6.848172      1.963665
  H      -6.599851      8.485472      0.768265
  H      -9.538381      6.182773     -1.897420
  H      -9.900815      3.726943     -2.387525
  H      -8.487201      2.046646     -1.195839
  H      -6.991581      1.570254      8.237913
  H      -7.044494      1.513098      6.463961
  H      -6.066820      4.052124      6.781081
  H      -7.022530      3.952480      8.266953
  H      -8.356740      4.901269      6.408250
  H      -9.057974      3.334055      6.915240
  H     -10.382364      4.582876      5.207450
  H     -12.146383      4.193317      3.516419
  H     -10.673810      0.898951      0.677934
  H      -8.524120     -0.413598      0.482857
  H      -6.643137      0.124398      2.051454
  N      -5.397906      1.879883      4.490513
  H      -6.337530      1.828347      3.918530
100
Coordinates from ORCA-job orca E -6429.407413220807
  N      -3.043024      0.227234      5.106094
  Mo     -4.063814      1.844888      5.586313
  N      -5.119380      1.724479      7.252585
  C      -4.470046      1.765938      8.561051
  C      -3.076516      1.170188      8.460102
  N      -2.400636      1.730355      7.269894
  C      -1.334161      0.852029      6.743051
  C      -1.961087     -0.280086      5.954833
  C      -1.932664      3.119092      7.469437
  C      -1.936494      3.839111      6.132536
  N      -3.219662      3.626923      5.440925
  H      -1.179912     -0.761618      5.340298
  H      -2.358475     -1.070859      6.622501
  H      -0.711175      1.456050      6.068191
  H      -0.689370      0.476114      7.556046
  H      -1.781045      4.914951      6.312804
  H      -1.099483      3.507877      5.493351
  H      -2.641685      3.619657      8.141976
  H      -0.936709      3.138282      7.944691
  H      -5.062790      1.188592      9.291531
  H      -4.427372      2.804836      8.943853
  H      -3.158959      0.084154      8.314604
  H      -2.487480      1.351565      9.375812
  C      -3.416328     -0.745582      4.066837
  C      -2.475624     -0.726070      2.853200
  C      -2.729529      0.428595      1.901348
  O      -4.032465      0.188913      1.310921
  C      -4.403201      0.716434      0.120560
  C      -5.375799      0.015015     -0.578894
  C      -5.879356      0.523431     -1.787603
  N      -5.499401      1.664993     -2.339353
  C      -4.549089      2.373716     -1.668772
  C      -4.139319      3.621912     -2.200112
  C      -3.192305      4.367024     -1.535113
  C      -2.646575      3.853989     -0.336902
  N      -2.997895      2.698640      0.203954
  C      -3.941610      1.954001     -0.434506
  C      -3.703164      4.894758      4.869243
  C      -4.898765      4.844686      3.929190
  C      -4.491983      4.389072      2.533601
  O      -5.614849      4.086449      1.686500
  C      -6.265503      5.106764      1.094702
  C      -6.014244      6.455791      1.300426
  C      -6.789046      7.415115      0.614963
  N      -7.755586      7.142940     -0.244747
  C      -7.993226      5.819764     -0.489352
  C      -8.979570      5.466255     -1.441538
  C      -9.195638      4.137401     -1.726980
  C      -8.434190      3.162624     -1.045137
  N      -7.520130      3.440233     -0.128146
  C      -7.287813      4.749704      0.149744
  C      -6.563453      1.989973      7.301072
  C      -6.917915      3.497352      7.260691
  C      -8.197526      3.789103      6.492030
  O      -7.990916      3.290030      5.152512
  C      -9.040278      3.190408      4.313174
  C     -10.253232      3.845635      4.440573
  C     -11.260265      3.609228      3.475872
  N     -11.158018      2.770580      2.457104
  C      -9.973260      2.104894      2.330200
  C      -9.820556      1.143362      1.301339
  C      -8.628784      0.463190      1.177143
  C      -7.576469      0.760110      2.066194
  N      -7.687315      1.640061      3.050033
  C      -8.864507      2.301574      3.207344
  H      -3.409766     -1.753255      4.517160
  H      -4.442461     -0.541851      3.736928
  H      -1.425459     -0.679224      3.184278
  H      -2.590921     -1.672682      2.300238
  H      -1.971319      0.472322      1.109143
  H      -2.734006      1.397391      2.418949
  H      -5.736556     -0.934811     -0.184706
  H      -6.638156     -0.050426     -2.329933
  H      -4.601983      3.959323     -3.129344
  H      -2.861909      5.335427     -1.914982
  H      -1.886346      4.428733      0.202072
  H      -2.856536      5.367451      4.335230
  H      -3.935146      5.567873      5.716034
  H      -5.327706      5.856612      3.894250
  H      -5.684553      4.182441      4.317567
  H      -3.929197      3.447596      2.575299
  H      -3.850157      5.139205      2.040503
  H      -5.238900      6.798965      1.982822
  H      -6.589573      8.475830      0.800563
  H      -9.531649      6.267481     -1.934795
  H      -9.935471      3.829544     -2.467159
  H      -8.582901      2.104021     -1.272772
  H      -6.980586      1.531631      8.213713
  H      -7.024069      1.492222      6.439466
  H      -6.091637      4.038273      6.777031
  H      -7.022716      3.912143      8.272803
  H      -8.400882      4.872014      6.461537
  H      -9.071762      3.278874      6.931719
  H     -10.445592      4.534249      5.262489
  H     -12.210229      4.144814      3.568797
  H     -10.664747      0.970446      0.631127
  H      -8.479832     -0.281380      0.395689
  H      -6.606885      0.263408      1.974169
  N      -5.371249      1.816391      4.477201
  H      -6.311339      1.733266      3.904618
100
Coordinates from ORCA-job orca E -6429.408180238376
  N      -3.056792      0.251728      5.098204
  Mo     -4.079908      1.859997      5.604548
  N      -5.123495      1.714181      7.276452
  C      -4.466272      1.740781      8.580852
  C      -3.072578      1.149312      8.462513
  N      -2.405188      1.729270      7.277265
  C      -1.338042      0.864356      6.731117
  C      -1.963753     -0.259207      5.930035
  C      -1.943054      3.116419      7.496377
  C      -1.955080      3.856133      6.169343
  N      -3.239153      3.646198      5.477590
  H      -1.186257     -0.723372      5.299969
  H      -2.348341     -1.063340      6.586559
  H      -0.721915      1.481263      6.062269
  H      -0.686888      0.479128      7.534679
  H      -1.807245      4.930587      6.364698
  H      -1.116783      3.539631      5.522454
  H      -2.652622      3.604119      8.178905
  H      -0.944894      3.133002      7.968568
  H      -5.052410      1.151814      9.307415
  H      -4.424105      2.774527      8.977142
  H      -3.154482      0.065660      8.300388
  H      -2.478438      1.317315      9.377436
  C      -3.431876     -0.715987      4.053804
  C      -2.495815     -0.693230      2.835926
  C      -2.755494      0.457830      1.881661
  O      -4.056205      0.209802      1.288061
  C      -4.425479      0.730986      0.093705
  C      -5.382154      0.014493     -0.612259
  C      -5.885424      0.515106     -1.824849
  N      -5.518646      1.662212     -2.375740
  C      -4.581228      2.383886     -1.700877
  C      -4.181104      3.634600     -2.232883
  C      -3.244979      4.390511     -1.565137
  C      -2.701161      3.886769     -0.362491
  N      -3.043802      2.729537      0.179713
  C      -3.975881      1.973421     -0.462168
  C      -3.723773      4.915871      4.906395
  C      -4.909968      4.861822      3.955833
  C      -4.490723      4.386747      2.571976
  O      -5.606415      4.093203      1.712594
  C      -6.223414      5.112185      1.084013
  C      -5.936511      6.460012      1.246057
  C      -6.678997      7.416545      0.520803
  N      -7.647105      7.142060     -0.336456
  C      -7.920437      5.818058     -0.535831
  C      -8.912604      5.457884     -1.479721
  C      -9.166412      4.125252     -1.716132
  C      -8.435205      3.154610     -0.995416
  N      -7.517121      3.439801     -0.085801
  C      -7.248909      4.751725      0.144662
  C      -6.565714      1.978660      7.333436
  C      -6.919144      3.484777      7.285642
  C      -8.192484      3.767608      6.505345
  O      -7.979277      3.249129      5.174568
  C      -9.024318      3.156339      4.328935
  C     -10.227095      3.831322      4.447182
  C     -11.233274      3.607531      3.479142
  N     -11.139668      2.765227      2.463266
  C      -9.965361      2.079745      2.344183
  C      -9.824941      1.116355      1.315529
  C      -8.645365      0.416103      1.195713
  C      -7.593720      0.691388      2.091921
  N      -7.692387      1.571102      3.078164
  C      -8.857706      2.257403      3.227805
  H      -3.421760     -1.725720      4.500870
  H      -4.458830     -0.513915      3.729767
  H      -1.444828     -0.641382      3.162776
  H      -2.607615     -1.641070      2.285823
  H      -1.995959      0.500357      1.090385
  H      -2.763577      1.429162      2.395441
  H      -5.730685     -0.941500     -0.219834
  H      -6.632421     -0.070066     -2.371190
  H      -4.641075      3.964190     -3.165543
  H      -2.920667      5.359492     -1.946409
  H      -1.949351      4.470026      0.179125
  H      -2.875011      5.394675      4.381015
  H      -3.968075      5.585301      5.752513
  H      -5.332982      5.874994      3.903140
  H      -5.703694      4.208935      4.343122
  H      -3.944617      3.437615      2.630805
  H      -3.829036      5.119078      2.080774
  H      -5.156569      6.804738      1.921908
  H      -6.450847      8.477027      0.670657
  H      -9.439725      6.256112     -2.004760
  H      -9.911738      3.811012     -2.447662
  H      -8.611649      2.091949     -1.185033
  H      -6.979345      1.522975      8.249161
  H      -7.029223      1.479052      6.474855
  H      -6.089717      4.024856      6.804289
  H      -7.031627      3.905236      8.295627
  H      -8.395255      4.849595      6.460394
  H      -9.069054      3.263494      6.946496
  H     -10.411997      4.527830      5.264002
  H     -12.174315      4.159526      3.565094
  H     -10.667321      0.959162      0.640509
  H      -8.504971     -0.328602      0.412416
  H      -6.633365      0.178006      2.001565
  N      -5.396844      1.851892      4.506115
  H      -6.340093      1.784204      3.940233
100
Coordinates from ORCA-job orca E -6429.408322815472
  N      -3.059119      0.262729      5.094065
  Mo     -4.086456      1.866696      5.605160
  N      -5.133264      1.710208      7.274515
  C      -4.477825      1.729778      8.579821
  C      -3.083276      1.141173      8.460522
  N      -2.414559      1.730361      7.280918
  C      -1.343832      0.871829      6.732197
  C      -1.964955     -0.248893      5.923885
  C      -1.956683      3.117018      7.510289
  C      -1.966735      3.864799      6.187856
  N      -3.247134      3.654515      5.489472
  H      -1.186153     -0.706236      5.291257
  H      -2.347274     -1.057830      6.574922
  H      -0.727932      1.494229      6.068441
  H      -0.693648      0.483617      7.535197
  H      -1.824430      4.938435      6.390520
  H      -1.124813      3.555704      5.542323
  H      -2.669317      3.598795      8.193429
  H      -0.959986      3.133331      7.985386
  H      -5.063984      1.135493      9.301850
  H      -4.438127      2.761039      8.982413
  H      -3.163673      0.058691      8.290526
  H      -2.491284      1.303471      9.377836
  C      -3.435582     -0.703809      4.048033
  C      -2.507794     -0.676399      2.823843
  C      -2.775789      0.475348      1.872836
  O      -4.081147      0.227803      1.288660
  C      -4.458735      0.746215      0.095624
  C      -5.421321      0.028083     -0.600715
  C      -5.932226      0.524183     -1.812352
  N      -5.566790      1.668068     -2.372038
  C      -4.622784      2.390620     -1.707462
  C      -4.220861      3.636099     -2.250062
  C      -3.275924      4.391598     -1.594272
  C      -2.725857      3.893340     -0.392181
  N      -3.070559      2.741586      0.160449
  C      -4.010214      1.985144     -0.470189
  C      -3.729448      4.924335      4.915682
  C      -4.907349      4.867910      3.955929
  C      -4.478075      4.381762      2.579909
  O      -5.588138      4.100971      1.710416
  C      -6.177230      5.125143      1.063917
  C      -5.859088      6.468160      1.207253
  C      -6.576833      7.431163      0.465280
  N      -7.550600      7.166772     -0.389154
  C      -7.856139      5.846754     -0.567653
  C      -8.860107      5.495655     -1.502813
  C      -9.150877      4.165895     -1.712818
  C      -8.442767      3.189683     -0.976429
  N      -7.513472      3.467110     -0.076279
  C      -7.210139      4.775316      0.129155
  C      -6.574394      1.976905      7.332770
  C      -6.927339      3.483475      7.292620
  C      -8.200391      3.765697      6.512381
  O      -7.984105      3.244730      5.184048
  C      -9.028710      3.131516      4.340502
  C     -10.243060      3.784876      4.456560
  C     -11.247190      3.533691      3.493426
  N     -11.141287      2.683533      2.485432
  C      -9.954534      2.019690      2.368839
  C      -9.798287      1.049515      1.348926
  C      -8.604189      0.373445      1.230043
  C      -7.555821      0.676444      2.121336
  N      -7.670200      1.560778      3.101962
  C      -8.848197      2.226668      3.247113
  H      -3.421630     -1.714930      4.493273
  H      -4.464620     -0.503545      3.729322
  H      -1.455258     -0.622925      3.142995
  H      -2.620975     -1.622932      2.273556
  H      -2.021946      0.518201      1.075742
  H      -2.779894      1.446558      2.387563
  H      -5.767501     -0.926631     -0.202007
  H      -6.683987     -0.062381     -2.350795
  H      -4.685500      3.961288     -3.181844
  H      -2.948641      5.355565     -1.984771
  H      -1.967257      4.476577      0.140491
  H      -2.877583      5.405111      4.397189
  H      -3.982724      5.592835      5.760109
  H      -5.326127      5.882828      3.891161
  H      -5.707315      4.220582      4.341020
  H      -3.946618      3.425868      2.648769
  H      -3.800497      5.101922      2.093623
  H      -5.073641      6.804448      1.881089
  H      -6.323695      8.488182      0.599415
  H      -9.368665      6.298022     -2.040012
  H      -9.908548      3.857960     -2.434332
  H      -8.652164      2.128635     -1.140842
  H      -6.988155      1.517176      8.246522
  H      -7.038774      1.481742      6.471922
  H      -6.097948      4.027087      6.813711
  H      -7.041296      3.899643      8.304990
  H      -8.405485      4.846891      6.466430
  H      -9.075626      3.259462      6.953031
  H     -10.439514      4.483630      5.268454
  H     -12.198792      4.067232      3.578351
  H     -10.639369      0.868689      0.678304
  H      -8.450529     -0.374381      0.452061
  H      -6.585840      0.180733      2.032350
  N      -5.398035      1.863255      4.500455
  H      -6.336672      1.799313      3.924872
100
Coordinates from ORCA-job orca E -6429.408569351894
  N      -3.056158      0.273909      5.093048
  Mo     -4.087620      1.871903      5.614867
  N      -5.128616      1.703969      7.286618
  C      -4.469744      1.719939      8.590258
  C      -3.072615      1.138577      8.463351
  N      -2.410729      1.736111      7.283943
  C      -1.337875      0.885148      6.727459
  C      -1.956171     -0.235582      5.916422
  C      -1.958963      3.124132      7.518080
  C      -1.975829      3.878497      6.199371
  N      -3.255123      3.662830      5.500809
  H      -1.176842     -0.686260      5.279250
  H      -2.331742     -1.049616      6.565581
  H      -0.727640      1.513567      6.064046
  H      -0.682553      0.496970      7.526283
  H      -1.840943      4.952181      6.407586
  H      -1.132265      3.579005      5.551362
  H      -2.672085      3.599300      8.205448
  H      -0.961141      3.143155      7.990754
  H      -5.050830      1.118609      9.310641
  H      -4.434232      2.749232      8.998377
  H      -3.148411      0.056481      8.288753
  H      -2.478102      1.299525      9.379278
  C      -3.433760     -0.690826      4.046062
  C      -2.506289     -0.662392      2.821528
  C      -2.779352      0.486418      1.868142
  O      -4.081361      0.229046      1.281008
  C      -4.463880      0.748129      0.089868
  C      -5.423707      0.025657     -0.605968
  C      -5.941374      0.521584     -1.814568
  N      -5.585531      1.669538     -2.371556
  C      -4.644640      2.396555     -1.707465
  C      -4.255247      3.647772     -2.246175
  C      -3.314179      4.408283     -1.590765
  C      -2.754788      3.908903     -0.393422
  N      -3.088219      2.752275      0.155860
  C      -4.024776      1.991272     -0.473818
  C      -3.739255      4.929275      4.922036
  C      -4.914194      4.865975      3.959194
  C      -4.485438      4.357278      2.591345
  O      -5.597266      4.088612      1.719873
  C      -6.155145      5.115304      1.050007
  C      -5.802182      6.451842      1.169963
  C      -6.484507      7.418235      0.399818
  N      -7.454539      7.162584     -0.461419
  C      -7.795931      5.848203     -0.614699
  C      -8.798179      5.505337     -1.554639
  C      -9.125738      4.180351     -1.738176
  C      -8.457154      3.201002     -0.969754
  N      -7.530132      3.471417     -0.065003
  C      -7.189416      4.774545      0.113458
  C      -6.571283      1.962992      7.348109
  C      -6.933156      3.467397      7.307335
  C      -8.211052      3.742548      6.531570
  O      -7.996659      3.230053      5.199018
  C      -9.045068      3.114158      4.360326
  C     -10.264423      3.756099      4.489371
  C     -11.272792      3.504158      3.530714
  N     -11.165731      2.663880      2.514488
  C      -9.973704      2.012014      2.384162
  C      -9.815421      1.052606      1.354320
  C      -8.616680      0.387419      1.222423
  C      -7.565606      0.691268      2.110116
  N      -7.681365      1.566496      3.098432
  C      -8.863757      2.220772      3.257532
  H      -3.419780     -1.702288      4.489870
  H      -4.463251     -0.489717      3.728276
  H      -1.453370     -0.604525      3.139941
  H      -2.616326     -1.610799      2.272931
  H      -2.023963      0.534018      1.073075
  H      -2.791634      1.457884      2.381994
  H      -5.762751     -0.932040     -0.208774
  H      -6.690800     -0.068348     -2.352455
  H      -4.726750      3.973405     -3.174444
  H      -2.997118      5.377190     -1.977907
  H      -1.997969      4.495520      0.137821
  H      -2.887096      5.410454      4.404418
  H      -3.997177      5.600134      5.763133
  H      -5.325126      5.882975      3.878417
  H      -5.719866      4.229939      4.351385
  H      -3.972257      3.392430      2.673580
  H      -3.791475      5.059043      2.101324
  H      -5.015375      6.780595      1.845994
  H      -6.203573      8.470443      0.514798
  H      -9.275688      6.309616     -2.116725
  H      -9.882810      3.878333     -2.462839
  H      -8.696440      2.143254     -1.112764
  H      -6.980764      1.501295      8.262763
  H      -7.034599      1.465094      6.488361
  H      -6.108794      4.015179      6.824910
  H      -7.045468      3.883456      8.319573
  H      -8.424581      4.822482      6.490710
  H      -9.081173      3.228235      6.973445
  H     -10.461614      4.446186      5.308598
  H     -12.228791      4.028123      3.626707
  H     -10.659394      0.870442      0.687533
  H      -8.461480     -0.352222      0.437112
  H      -6.592518      0.203271      2.012478
  N      -5.403634      1.868378      4.515634
  H      -6.346319      1.803084      3.944388
100
Coordinates from ORCA-job orca E -6429.408786525740
  N      -3.048086      0.282322      5.094486
  Mo     -4.087582      1.873126      5.625403
  N      -5.122195      1.692120      7.299554
  C      -4.460421      1.708356      8.601857
  C      -3.058479      1.139319      8.468919
  N      -2.405995      1.744126      7.287912
  C      -1.329435      0.901814      6.724908
  C      -1.943868     -0.222202      5.915069
  C      -1.962971      3.134959      7.523636
  C      -1.988987      3.893390      6.207780
  N      -3.266930      3.669021      5.509878
  H      -1.162808     -0.670556      5.277773
  H      -2.314850     -1.037436      6.566353
  H      -0.726951      1.536045      6.059740
  H      -0.667573      0.517406      7.520114
  H      -1.863008      4.967509      6.419966
  H      -1.143781      3.603867      5.557718
  H      -2.676433      3.603011      8.215415
  H      -0.963712      3.159575      7.992729
  H      -5.034552      1.098657      9.320888
  H      -4.433100      2.736141      9.014585
  H      -3.125102      0.056759      8.293356
  H      -2.461912      1.304339      9.382787
  C      -3.423367     -0.681568      4.046266
  C      -2.494613     -0.650276      2.822391
  C      -2.775986      0.493672      1.865325
  O      -4.072332      0.219191      1.273595
  C      -4.467601      0.740964      0.088071
  C      -5.431268      0.015487     -0.599691
  C      -5.967380      0.513465     -1.798935
  N      -5.626659      1.666651     -2.353907
  C      -4.682804      2.396839     -1.697801
  C      -4.313132      3.655679     -2.233197
  C      -3.370676      4.420638     -1.585534
  C      -2.789411      3.917646     -0.399964
  N      -3.104489      2.754545      0.146293
  C      -4.043297      1.989338     -0.474926
  C      -3.754307      4.931149      4.926134
  C      -4.927673      4.862246      3.961137
  C      -4.500491      4.339092      2.597960
  O      -5.614464      4.084927      1.725022
  C      -6.138421      5.114176      1.031870
  C      -5.750152      6.442421      1.133003
  C      -6.390897      7.411775      0.332232
  N      -7.351748      7.166120     -0.542057
  C      -7.731550      5.859858     -0.672397
  C      -8.727938      5.527758     -1.622226
  C      -9.096735      4.210778     -1.780116
  C      -8.476819      3.229083     -0.974942
  N      -7.554508      3.489798     -0.062162
  C      -7.171321      4.784770      0.089692
  C      -6.567437      1.938093      7.364226
  C      -6.940918      3.439286      7.328335
  C      -8.223906      3.707834      6.558418
  O      -8.007213      3.209264      5.219964
  C      -9.056604      3.092831      4.382695
  C     -10.277383      3.731719      4.516290
  C     -11.284386      3.487051      3.554327
  N     -11.173612      2.658564      2.528684
  C      -9.980257      2.010197      2.393174
  C      -9.817161      1.065506      1.350400
  C      -8.616997      0.404072      1.213055
  C      -7.570322      0.694824      2.110170
  N      -7.690727      1.556611      3.109273
  C      -8.873033      2.209402      3.272339
  H      -3.407609     -1.693207      4.488860
  H      -4.453441     -0.482274      3.728398
  H      -1.442161     -0.583776      3.142045
  H      -2.597469     -1.601351      2.276011
  H      -2.018136      0.551352      1.073859
  H      -2.803846      1.464536      2.379101
  H      -5.760277     -0.945339     -0.202099
  H      -6.720058     -0.078528     -2.329798
  H      -4.801931      3.983717     -3.151808
  H      -3.069879      5.396301     -1.969191
  H      -2.030519      4.507715      0.124048
  H      -2.902611      5.413476      4.408803
  H      -4.015922      5.603787      5.764631
  H      -5.332250      5.880942      3.869172
  H      -5.736914      4.234239      4.359091
  H      -4.004107      3.366345      2.688267
  H      -3.792497      5.027109      2.108329
  H      -4.965834      6.762549      1.816221
  H      -6.081386      8.457595      0.431078
  H      -9.168133      6.333496     -2.211738
  H      -9.850743      3.916946     -2.511434
  H      -8.752512      2.177686     -1.095310
  H      -6.972043      1.469166      8.277229
  H      -7.027486      1.439855      6.502914
  H      -6.123212      3.992307      6.841482
  H      -7.049787      3.853499      8.341136
  H      -8.446654      4.786340      6.525738
  H      -9.088893      3.182473      6.997825
  H     -10.475577      4.415616      5.340641
  H     -12.241143      4.009234      3.653817
  H     -10.659325      0.891490      0.678788
  H      -8.457597     -0.324007      0.418041
  H      -6.597167      0.207700      2.010897
  N      -5.407655      1.863797      4.531254
  H      -6.355332      1.792204      3.963889
100
Coordinates from ORCA-job orca E -6429.408993648805
  N      -3.041982      0.292257      5.093676
  Mo     -4.090612      1.874824      5.633371
  N      -5.122176      1.679415      7.307816
  C      -4.459164      1.693297      8.609397
  C      -3.053589      1.134362      8.472387
  N      -2.406704      1.748890      7.293486
  C      -1.325475      0.916504      6.724771
  C      -1.933920     -0.208195      5.911293
  C      -1.973056      3.141507      7.535557
  C      -2.005115      3.907069      6.223956
  N      -3.280124      3.675750      5.522882
  H      -1.151053     -0.649871      5.272001
  H      -2.299647     -1.027289      6.560358
  H      -0.728528      1.558064      6.061744
  H      -0.659825      0.533029      7.517293
  H      -1.889412      4.980945      6.442803
  H      -1.156614      3.629037      5.573231
  H      -2.688736      3.600976      8.230639
  H      -0.973502      3.170777      8.003725
  H      -5.028342      1.075862      9.325737
  H      -4.438598      2.718945      9.027633
  H      -3.113169      0.052184      8.292281
  H      -2.457112      1.299348      9.386320
  C      -3.412166     -0.670197      4.042065
  C      -2.484429     -0.630161      2.817354
  C      -2.778600      0.508466      1.857850
  O      -4.070316      0.215656      1.264029
  C      -4.477396      0.737491      0.082591
  C      -5.435245      0.001868     -0.602871
  C      -5.986721      0.498220     -1.795762
  N      -5.666263      1.659103     -2.347105
  C      -4.726886      2.398161     -1.694617
  C      -4.378309      3.664713     -2.226412
  C      -3.439607      4.437926     -1.583347
  C      -2.841124      3.935863     -0.405763
  N      -3.137371      2.766631      0.137941
  C      -4.072318      1.992986     -0.478728
  C      -3.770164      4.934332      4.933822
  C      -4.939136      4.856958      3.964276
  C      -4.508446      4.315130      2.609771
  O      -5.620312      4.076017      1.730813
  C      -6.107662      5.106241      1.012856
  C      -5.680876      6.424199      1.091759
  C      -6.281313      7.394685      0.261743
  N      -7.238075      7.158955     -0.619896
  C      -7.659022      5.862962     -0.724116
  C      -8.656439      5.541345     -1.676697
  C      -9.070266      4.234569     -1.804514
  C      -8.494016      3.253310     -0.967099
  N      -7.570643      3.504560     -0.052804
  C      -7.142762      4.788755      0.069204
  C      -6.567962      1.920280      7.375082
  C      -6.944880      3.420475      7.345230
  C      -8.229894      3.688957      6.579001
  O      -8.013160      3.199875      5.236941
  C      -9.064693      3.079684      4.403082
  C     -10.290339      3.706966      4.545443
  C     -11.298851      3.459172      3.586107
  N     -11.184649      2.639063      2.554125
  C      -9.985727      2.003389      2.408824
  C      -9.816921      1.069529      1.357120
  C      -8.610534      0.421950      1.208907
  C      -7.564193      0.713610      2.105930
  N      -7.690318      1.564429      3.113622
  C      -8.877641      2.205640      3.285914
  H      -3.390071     -1.683083      4.482053
  H      -4.443777     -0.476747      3.725529
  H      -1.433018     -0.550871      3.136850
  H      -2.575801     -1.583058      2.272740
  H      -2.020161      0.575027      1.067534
  H      -2.820490      1.479484      2.370660
  H      -5.748120     -0.965342     -0.207575
  H      -6.735264     -0.101381     -2.323963
  H      -4.880072      3.991389     -3.138572
  H      -3.154622      5.419414     -1.964302
  H      -2.084676      4.532594      0.114415
  H      -2.918536      5.418974      4.418610
  H      -4.039030      5.608149      5.769172
  H      -5.338474      5.876417      3.855720
  H      -5.752710      4.237524      4.367226
  H      -4.031929      3.334107      2.712150
  H      -3.782611      4.985700      2.122645
  H      -4.896017      6.735409      1.778632
  H      -5.940722      8.432503      0.341577
  H      -9.062224      6.346652     -2.290924
  H      -9.827235      3.948476     -2.535890
  H      -8.807653      2.210093     -1.062370
  H      -6.969965      1.446318      8.286579
  H      -7.027664      1.424304      6.512226
  H      -6.129441      3.976748      6.857703
  H      -7.051915      3.831746      8.359700
  H      -8.456212      4.766747      6.552915
  H      -9.092434      3.157886      7.015978
  H     -10.491471      4.383902      5.374783
  H     -12.260092      3.971413      3.693403
  H     -10.659853      0.892426      0.687347
  H      -8.445910     -0.296222      0.406000
  H      -6.586835      0.236755      1.999392
  N      -5.411371      1.863377      4.540447
  H      -6.360355      1.789854      3.971074
100
Coordinates from ORCA-job orca E -6429.409189783622
  N      -3.051309      0.296145      5.091531
  Mo     -4.101849      1.875434      5.639324
  N      -5.125569      1.674925      7.317667
  C      -4.458078      1.691057      8.616646
  C      -3.051585      1.135931      8.475554
  N      -2.411230      1.751094      7.293922
  C      -1.331663      0.920411      6.719311
  C      -1.942744     -0.204424      5.907987
  C      -1.979665      3.144336      7.535129
  C      -2.018703      3.912007      6.225008
  N      -3.294225      3.677498      5.525694
  H      -1.161892     -0.647907      5.267966
  H      -2.308667     -1.021283      6.559229
  H      -0.739217      1.563826      6.054185
  H      -0.661798      0.537184      7.508512
  H      -1.907022      4.985708      6.445808
  H      -1.170616      3.638017      5.572180
  H      -2.692828      3.601346      8.234155
  H      -0.978058      3.175469      7.998768
  H      -5.022973      1.072134      9.334931
  H      -4.439256      2.716599      9.034717
  H      -3.108747      0.053383      8.297593
  H      -2.452512      1.303905      9.387240
  C      -3.416874     -0.660541      4.033948
  C      -2.486386     -0.612817      2.811205
  C      -2.781212      0.525470      1.851213
  O      -4.069211      0.228157      1.250423
  C      -4.479885      0.758331      0.073929
  C      -5.446112      0.029900     -0.608091
  C      -6.001952      0.532271     -1.796526
  N      -5.677372      1.692344     -2.348049
  C      -4.727364      2.422559     -1.701106
  C      -4.370167      3.686002     -2.235297
  C      -3.417487      4.448527     -1.600380
  C      -2.814432      3.939796     -0.427781
  N      -3.119755      2.774454      0.119552
  C      -4.068027      2.010865     -0.489543
  C      -3.783887      4.932389      4.929627
  C      -4.951492      4.846216      3.959028
  C      -4.518085      4.295173      2.609148
  O      -5.627666      4.062009      1.727161
  C      -6.092947      5.091860      0.993928
  C      -5.646282      6.403927      1.064514
  C      -6.217761      7.373487      0.213472
  N      -7.165162      7.141881     -0.679481
  C      -7.610051      5.853089     -0.770278
  C      -8.602762      5.537624     -1.730318
  C      -9.044798      4.238691     -1.840971
  C      -8.500359      3.259794     -0.980350
  N      -7.580452      3.505014     -0.060718
  C      -7.125291      4.781129      0.045024
  C      -6.571030      1.913327      7.390273
  C      -6.945565      3.413509      7.364702
  C      -8.233998      3.683860      6.606094
  O      -8.021558      3.198902      5.261832
  C      -9.079451      3.065446      4.438713
  C     -10.313727      3.670550      4.598161
  C     -11.329395      3.407718      3.651116
  N     -11.213716      2.593609      2.614673
  C     -10.005102      1.981401      2.450904
  C      -9.832169      1.056857      1.391713
  C      -8.615947      0.433786      1.223315
  C      -7.564637      0.738175      2.109720
  N      -7.694730      1.579035      3.125425
  C      -8.890657      2.199131      3.315651
  H      -3.393727     -1.675545      4.468930
  H      -4.448031     -0.467845      3.716878
  H      -1.436729     -0.527770      3.135064
  H      -2.569358     -1.565370      2.264936
  H      -2.018828      0.595748      1.064656
  H      -2.830117      1.496324      2.364542
  H      -5.761684     -0.936644     -0.212779
  H      -6.757503     -0.061725     -2.321236
  H      -4.876642      4.018255     -3.142987
  H      -3.125403      5.427274     -1.983141
  H      -2.047839      4.528822      0.086751
  H      -2.932530      5.415249      4.412398
  H      -4.055335      5.609746      5.761514
  H      -5.352301      5.864616      3.839147
  H      -5.764557      4.228521      4.366875
  H      -4.051175      3.310393      2.717486
  H      -3.783457      4.958151      2.125593
  H      -4.866774      6.710732      1.759684
  H      -5.860460      8.406414      0.284748
  H      -8.983684      6.341643     -2.361875
  H      -9.800700      3.957108     -2.575382
  H      -8.839814      2.223754     -1.060460
  H      -6.969316      1.436468      8.301605
  H      -7.034289      1.419856      6.527787
  H      -6.131920      3.968448      6.871383
  H      -7.045282      3.825789      8.380286
  H      -8.460624      4.761816      6.584731
  H      -9.094546      3.150186      7.043694
  H     -10.517232      4.340290      5.432699
  H     -12.299277      3.900297      3.774044
  H     -10.680706      0.866622      0.732372
  H      -8.447367     -0.274701      0.412858
  H      -6.580955      0.280060      1.988331
  N      -5.426678      1.864542      4.551565
  H      -6.378874      1.792909      3.982167
100
Coordinates from ORCA-job orca E -6429.409410079092
  N      -3.051817      0.307610      5.086843
  Mo     -4.106924      1.880263      5.644579
  N      -5.121873      1.669524      7.327513
  C      -4.448514      1.682114      8.623534
  C      -3.039949      1.134747      8.473006
  N      -2.408232      1.758391      7.291109
  C      -1.326982      0.936296      6.707816
  C      -1.935612     -0.189097      5.895521
  C      -1.983375      3.152838      7.536065
  C      -2.030593      3.925579      6.228855
  N      -3.305720      3.685671      5.530750
  H      -1.155467     -0.624636      5.249100
  H      -2.292231     -1.011224      6.545278
  H      -0.742009      1.585677      6.041836
  H      -0.650561      0.553972      7.491835
  H      -1.926252      4.999320      6.454082
  H      -1.181602      3.660474      5.572849
  H      -2.696778      3.603514      8.239363
  H      -0.980249      3.187525      7.996489
  H      -5.006980      1.056545      9.341228
  H      -4.433119      2.705667      9.046845
  H      -3.092776      0.052721      8.290221
  H      -2.437413      1.301285      9.382687
  C      -3.419159     -0.650151      4.030682
  C      -2.490310     -0.606421      2.806482
  C      -2.784162      0.528469      1.842443
  O      -4.073354      0.231917      1.244831
  C      -4.486363      0.764441      0.070302
  C      -5.458405      0.040685     -0.608483
  C      -6.015750      0.545899     -1.794954
  N      -5.687991      1.704906     -2.346988
  C      -4.732866      2.430802     -1.702647
  C      -4.371844      3.692999     -2.236863
  C      -3.414560      4.451459     -1.603950
  C      -2.810139      3.939532     -0.433704
  N      -3.117843      2.774648      0.112925
  C      -4.071265      2.015595     -0.493714
  C      -3.797404      4.939008      4.930637
  C      -4.961437      4.850077      3.956392
  C      -4.526954      4.284311      2.613261
  O      -5.635348      4.063266      1.726158
  C      -6.074899      5.091486      0.975009
  C      -5.600982      6.394752      1.026102
  C      -6.142187      7.359928      0.150328
  N      -7.084888      7.131827     -0.748447
  C      -7.558604      5.852022     -0.817518
  C      -8.548882      5.539252     -1.780903
  C      -9.020078      4.248498     -1.868497
  C      -8.507387      3.275585     -0.981444
  N      -7.590489      3.518901     -0.058793
  C      -7.106686      4.786140      0.024316
  C      -6.568914      1.897541      7.409071
  C      -6.958564      3.394470      7.391583
  C      -8.255207      3.654370      6.643092
  O      -8.046356      3.178777      5.295222
  C      -9.105959      3.042547      4.474467
  C     -10.345352      3.635237      4.641596
  C     -11.359768      3.374343      3.692259
  N     -11.237420      2.574691      2.645386
  C     -10.023707      1.974524      2.474059
  C      -9.842470      1.066646      1.401917
  C      -8.621491      0.454702      1.226644
  C      -7.573769      0.753213      2.119634
  N      -7.711133      1.579467      3.146353
  C      -8.911318      2.189632      3.342311
  H      -3.396278     -1.664840      4.466693
  H      -4.450757     -0.456894      3.714972
  H      -1.440079     -0.521272      3.128163
  H      -2.574763     -1.560761      2.263546
  H      -2.022783      0.592691      1.054454
  H      -2.828963      1.501915      2.350857
  H      -5.777300     -0.924331     -0.211952
  H      -6.775392     -0.044607     -2.317624
  H      -4.879618      4.028032     -3.142499
  H      -3.120513      5.429612     -1.986055
  H      -2.039517      4.524698      0.078976
  H      -2.945453      5.422813      4.415188
  H      -4.072830      5.617513      5.760097
  H      -5.356186      5.869065      3.824702
  H      -5.779468      4.241426      4.366787
  H      -4.075736      3.293172      2.730062
  H      -3.778886      4.932159      2.130166
  H      -4.821015      6.697124      1.722474
  H      -5.762481      8.385721      0.204890
  H      -8.904584      6.338286     -2.433367
  H      -9.774647      3.968508     -2.604601
  H      -8.870241      2.245665     -1.042366
  H      -6.957926      1.414824      8.321562
  H      -7.033322      1.402543      6.548157
  H      -6.154183      3.960127      6.895637
  H      -7.056096      3.801110      8.409421
  H      -8.494692      4.729615      6.628959
  H      -9.106324      3.108600      7.084018
  H     -10.553345      4.295154      5.482746
  H     -12.333440      3.857550      3.820998
  H     -10.688268      0.880038      0.738378
  H      -8.446601     -0.240746      0.406137
  H      -6.586524      0.302566      1.994645
  N      -5.435666      1.867952      4.561930
  H      -6.388261      1.796334      3.993385
100
Coordinates from ORCA-job orca E -6429.409615354275
  N      -3.057385      0.316633      5.085560
  Mo     -4.115341      1.883185      5.654239
  N      -5.119236      1.664815      7.342817
  C      -4.439162      1.676471      8.635490
  C      -3.029004      1.135741      8.475430
  N      -2.407299      1.764363      7.290828
  C      -1.326483      0.947914      6.699015
  C      -1.935776     -0.178275      5.888343
  C      -1.986519      3.160029      7.535952
  C      -2.042768      3.935161      6.230639
  N      -3.318512      3.690155      5.536067
  H      -1.156849     -0.610363      5.237824
  H      -2.286527     -1.002785      6.538770
  H      -0.748955      1.601053      6.030086
  H      -0.643060      0.567005      7.477596
  H      -1.943394      5.009045      6.458027
  H      -1.194585      3.676263      5.571112
  H      -2.697987      3.606735      8.243706
  H      -0.981295      3.197661      7.991360
  H      -4.991118      1.046313      9.354221
  H      -4.426229      2.698945      9.061663
  H      -3.078024      0.053762      8.290976
  H      -2.421732      1.303332      9.381772
  C      -3.425310     -0.638361      4.027151
  C      -2.496034     -0.593622      2.803351
  C      -2.789099      0.540698      1.838350
  O      -4.075939      0.241636      1.238147
  C      -4.490447      0.774627      0.064436
  C      -5.461968      0.048872     -0.613097
  C      -6.016231      0.548957     -1.802902
  N      -5.686881      1.705348     -2.359226
  C      -4.734598      2.434760     -1.714751
  C      -4.373102      3.694923     -2.253307
  C      -3.419957      4.458166     -1.619890
  C      -2.820129      3.953176     -0.444484
  N      -3.127167      2.789589      0.105321
  C      -4.076223      2.025338     -0.501994
  C      -3.810264      4.940428      4.929124
  C      -4.970839      4.847279      3.951394
  C      -4.535166      4.268132      2.614228
  O      -5.641737      4.058605      1.721730
  C      -6.055056      5.086393      0.955053
  C      -5.555754      6.380464      0.993775
  C      -6.066934      7.343541      0.097835
  N      -7.003732      7.121657     -0.808709
  C      -7.505048      5.851759     -0.862909
  C      -8.492546      5.545435     -1.831157
  C      -8.992122      4.264312     -1.902265
  C      -8.511289      3.295018     -0.993331
  N      -7.597352      3.532714     -0.066536
  C      -7.085226      4.789626      0.000163
  C      -6.567141      1.884253      7.432789
  C      -6.967547      3.378405      7.419210
  C      -8.271545      3.628155      6.680102
  O      -8.065896      3.160503      5.329000
  C      -9.128061      3.019480      4.512359
  C     -10.373422      3.596285      4.691392
  C     -11.388889      3.335941      3.742867
  N     -11.261420      2.551831      2.684953
  C     -10.042077      1.966513      2.502135
  C      -9.854958      1.076042      1.416531
  C      -8.628743      0.477760      1.230105
  C      -7.581784      0.772829      2.125403
  N      -7.723935      1.583889      3.163587
  C      -8.929062      2.181102      3.370125
  H      -3.404235     -1.654347      4.460307
  H      -4.456577     -0.442442      3.711438
  H      -1.445761     -0.508600      3.124729
  H      -2.580384     -1.548027      2.260238
  H      -2.026019      0.604603      1.052220
  H      -2.835135      1.514718      2.344970
  H      -5.781190     -0.914791     -0.213693
  H      -6.774111     -0.043958     -2.325357
  H      -4.877460      4.024888     -3.162634
  H      -3.126548      5.435232     -2.005051
  H      -2.051939      4.541558      0.068034
  H      -2.956834      5.421853      4.413869
  H      -4.087971      5.622769      5.754508
  H      -5.360972      5.866500      3.808735
  H      -5.793044      4.246036      4.364586
  H      -4.098712      3.271321      2.739430
  H      -3.775075      4.902368      2.131609
  H      -4.777073      6.676315      1.694384
  H      -5.666444      8.361866      0.141594
  H      -8.823569      6.341253     -2.500364
  H      -9.745360      3.988964     -2.641414
  H      -8.898240      2.272840     -1.039077
  H      -6.948428      1.398323      8.346977
  H      -7.033050      1.387162      6.573862
  H      -6.171648      3.950439      6.917396
  H      -7.060577      3.783115      8.437900
  H      -8.522599      4.700862      6.671882
  H      -9.114080      3.071728      7.124385
  H     -10.584812      4.244480      5.540760
  H     -12.367260      3.806726      3.881164
  H     -10.700620      0.891596      0.752140
  H      -8.449673     -0.204694      0.399602
  H      -6.590962      0.331502      1.993184
  N      -5.450107      1.869671      4.579285
  H      -6.404495      1.798686      4.014345
100
Coordinates from ORCA-job orca E -6429.409804027175
  N      -3.058867      0.329660      5.082131
  Mo     -4.122795      1.886972      5.663685
  N      -5.119057      1.656864      7.355005
  C      -4.434995      1.667039      8.645745
  C      -3.022612      1.133733      8.479138
  N      -2.408411      1.769274      7.294386
  C      -1.326588      0.959731      6.694829
  C      -1.934965     -0.165535      5.882372
  C      -1.992902      3.165867      7.543110
  C      -2.056032      3.945866      6.241206
  N      -3.330791      3.696035      5.547195
  H      -1.156060     -0.594289      5.229962
  H      -2.283220     -0.992227      6.531285
  H      -0.755028      1.617887      6.025764
  H      -0.638191      0.578630      7.468885
  H      -1.963159      5.019367      6.473125
  H      -1.207214      3.695030      5.579599
  H      -2.703887      3.606697      8.254761
  H      -0.986482      3.206336      7.995326
  H      -4.981844      1.031898      9.363889
  H      -4.425775      2.688108      9.075389
  H      -3.066862      0.052042      8.291624
  H      -2.413028      1.301603      9.383886
  C      -3.425728     -0.620534      4.018518
  C      -2.497748     -0.571957      2.794038
  C      -2.790093      0.563781      1.830612
  O      -4.078676      0.267734      1.233341
  C      -4.496069      0.798523      0.059716
  C      -5.473246      0.072663     -0.609770
  C      -6.023914      0.563269     -1.804836
  N      -5.685784      1.710516     -2.374751
  C      -4.730207      2.441587     -1.737199
  C      -4.357948      3.691679     -2.291812
  C      -3.403793      4.458601     -1.664422
  C      -2.814711      3.968286     -0.477501
  N      -3.129275      2.812851      0.085471
  C      -4.077288      2.043264     -0.517502
  C      -3.823176      4.942830      4.933169
  C      -4.979406      4.841030      3.951717
  C      -4.539283      4.249631      2.621156
  O      -5.641866      4.047025      1.722159
  C      -6.030884      5.072093      0.939284
  C      -5.509400      6.357540      0.966029
  C      -5.993854      7.316743      0.051226
  N      -6.926287      7.099415     -0.861015
  C      -7.452828      5.839288     -0.900134
  C      -8.441547      5.538612     -1.868972
  C      -8.968059      4.267411     -1.922402
  C      -8.512265      3.302280     -0.995876
  N      -7.597253      3.534951     -0.069250
  C      -7.059766      4.781850     -0.018884
  C      -6.567366      1.869172      7.450909
  C      -6.974848      3.361490      7.442104
  C      -8.286054      3.604009      6.713677
  O      -8.086926      3.142231      5.359922
  C      -9.153186      2.998828      4.549057
  C     -10.403326      3.560367      4.742583
  C     -11.421717      3.302083      3.796601
  N     -11.292417      2.533899      2.727436
  C     -10.068833      1.962019      2.531200
  C      -9.879077      1.088658      1.432233
  C      -8.648837      0.502283      1.232976
  C      -7.600751      0.792413      2.128711
  N      -7.744531      1.588343      3.178525
  C      -8.953322      2.174631      3.396840
  H      -3.406137     -1.639191      4.446488
  H      -4.456771     -0.421836      3.703258
  H      -1.447308     -0.488192      3.113485
  H      -2.582857     -1.524814      2.249217
  H      -2.028275      0.623548      1.042780
  H      -2.830122      1.538775      2.335468
  H      -5.797102     -0.885522     -0.201152
  H      -6.785272     -0.030494     -2.321292
  H      -4.855160      4.011399     -3.208683
  H      -3.102721      5.428235     -2.062130
  H      -2.047753      4.560638      0.032437
  H      -2.968742      5.422599      4.418075
  H      -4.104959      5.628658      5.754099
  H      -5.369505      5.858415      3.796775
  H      -5.803245      4.243594      4.367908
  H      -4.114271      3.249206      2.755336
  H      -3.769516      4.873281      2.140079
  H      -4.732182      6.648531      1.670372
  H      -5.574802      8.327996      0.084130
  H      -8.752743      6.330746     -2.551957
  H      -9.723646      3.996256     -2.660655
  H      -8.921910      2.288090     -1.025674
  H      -6.943140      1.379793      8.365788
  H      -7.034398      1.371604      6.592765
  H      -6.186454      3.938244      6.933687
  H      -7.061917      3.764452      8.461933
  H      -8.545944      4.674401      6.710958
  H      -9.120577      3.039531      7.162598
  H     -10.615926      4.196532      5.600592
  H     -12.403777      3.760905      3.946640
  H     -10.725718      0.907210      0.768437
  H      -8.468243     -0.168005      0.392765
  H      -6.607456      0.358334      1.987816
  N      -5.459314      1.875450      4.591413
  H      -6.410659      1.809793      4.022557
100
Coordinates from ORCA-job orca E -6429.410011891527
  N      -3.065821      0.339083      5.076606
  Mo     -4.133665      1.889116      5.670746
  N      -5.116465      1.650060      7.368732
  C      -4.423392      1.659201      8.654652
  C      -3.009586      1.133764      8.475862
  N      -2.407427      1.776152      7.288661
  C      -1.325720      0.974148      6.678915
  C      -1.933982     -0.152385      5.867874
  C      -1.998417      3.174464      7.538502
  C      -2.073801      3.958250      6.239245
  N      -3.349916      3.701677      5.550137
  H      -1.157340     -0.575565      5.209254
  H      -2.273675     -0.982384      6.517013
  H      -0.762548      1.637213      6.007683
  H      -0.629686      0.594690      7.446906
  H      -1.987942      5.031725      6.474506
  H      -1.226075      3.716177      5.572674
  H      -2.707465      3.609066      8.256098
  H      -0.989316      3.219523      7.984534
  H      -4.961825      1.018690      9.374412
  H      -4.416440      2.678791      9.087835
  H      -3.049629      0.052472      8.285186
  H      -2.394156      1.301916      9.376596
  C      -3.434026     -0.610123      4.012673
  C      -2.505264     -0.563379      2.788580
  C      -2.794165      0.571734      1.823424
  O      -4.083127      0.279179      1.225263
  C      -4.497097      0.814020      0.052296
  C      -5.479175      0.096278     -0.618816
  C      -6.028922      0.594983     -1.810822
  N      -5.684677      1.742393     -2.376563
  C      -4.723805      2.465181     -1.737550
  C      -4.345840      3.716124     -2.286748
  C      -3.388216      4.475825     -1.656081
  C      -2.801081      3.977158     -0.471487
  N      -3.120400      2.820424      0.085981
  C      -4.071993      2.058152     -0.520353
  C      -3.846179      4.944363      4.930745
  C      -5.000416      4.834710      3.947883
  C      -4.560083      4.225344      2.625510
  O      -5.660549      4.034093      1.721179
  C      -6.018660      5.054306      0.917645
  C      -5.466792      6.327207      0.926577
  C      -5.916740      7.279576     -0.012559
  N      -6.842617      7.066866     -0.932530
  C      -7.400299      5.819629     -0.952913
  C      -8.384927      5.523903     -1.927455
  C      -8.943411      4.265746     -1.961106
  C      -8.523348      3.308671     -1.009681
  N      -7.612691      3.536977     -0.077739
  C      -7.044152      4.770858     -0.046196
  C      -6.564834      1.857133      7.474978
  C      -6.978448      3.347607      7.469469
  C      -8.295294      3.584079      6.749409
  O      -8.100922      3.129440      5.392466
  C      -9.170925      2.982478      4.587407
  C     -10.426041      3.528095      4.795102
  C     -11.447981      3.267651      3.853387
  N     -11.317024      2.512503      2.775026
  C     -10.088178      1.957001      2.564291
  C      -9.895391      1.098420      1.454103
  C      -8.660091      0.528206      1.240720
  C      -7.609922      0.819858      2.133366
  N      -7.755842      1.602657      3.192540
  C      -8.969621      2.172550      3.425227
  H      -3.415498     -1.628783      4.440245
  H      -4.465007     -0.410237      3.697735
  H      -1.454597     -0.480785      3.108650
  H      -2.591086     -1.516886      2.244557
  H      -2.031635      0.627653      1.035801
  H      -2.830935      1.547681      2.326608
  H      -5.808586     -0.861100     -0.213134
  H      -6.795291      0.008374     -2.327958
  H      -4.842484      4.042818     -3.201553
  H      -3.083363      5.446404     -2.049060
  H      -2.033200      4.564650      0.042514
  H      -2.992454      5.424765      4.415078
  H      -4.131726      5.632650      5.748217
  H      -5.384985      5.851894      3.779178
  H      -5.828021      4.246374      4.369440
  H      -4.152241      3.219472      2.770830
  H      -3.776787      4.832096      2.144957
  H      -4.691151      6.613086      1.634767
  H      -5.473317      8.280740      0.005724
  H      -8.667713      6.309214     -2.630249
  H      -9.696998      3.998582     -2.702846
  H      -8.957927      2.304562     -1.024012
  H      -6.932598      1.366108      8.392125
  H      -7.035737      1.358372      6.619707
  H      -6.196016      3.928249      6.956299
  H      -7.060921      3.749423      8.490006
  H      -8.562564      4.652706      6.751782
  H      -9.123363      3.012584      7.201607
  H     -10.639917      4.153227      5.660986
  H     -12.434223      3.713552      4.014910
  H     -10.743952      0.914800      0.793486
  H      -8.477237     -0.130360      0.391838
  H      -6.612740      0.398868      1.981633
  N      -5.478138      1.874181      4.608646
  H      -6.432964      1.807479      4.045698
100
Coordinates from ORCA-job orca E -6429.410200968160
  N      -3.070427      0.348416      5.074236
  Mo     -4.141651      1.892428      5.678085
  N      -5.113719      1.647428      7.381209
  C      -4.414143      1.658329      8.663562
  C      -2.999100      1.139137      8.476893
  N      -2.406284      1.784301      7.286673
  C      -1.325300      0.986448      6.669821
  C      -1.934915     -0.141311      5.861491
  C      -2.001357      3.183843      7.535459
  C      -2.085467      3.968394      6.237345
  N      -3.362512      3.706752      5.551999
  H      -1.160320     -0.564041      5.200490
  H      -2.271482     -0.970858      6.512552
  H      -0.768330      1.652112      5.996118
  H      -0.623654      0.608600      7.433532
  H      -2.004194      5.041975      6.473684
  H      -1.238746      3.731162      5.567742
  H      -2.708306      3.615006      8.257101
  H      -0.990177      3.232406      7.976400
  H      -4.946077      1.014621      9.385245
  H      -4.409680      2.677374      9.097873
  H      -3.035493      0.057767      8.286225
  H      -2.379478      1.309711      9.374284
  C      -3.440218     -0.599732      4.009900
  C      -2.512023     -0.555847      2.785299
  C      -2.797754      0.578675      1.818562
  O      -4.089199      0.291100      1.223086
  C      -4.501534      0.825706      0.049431
  C      -5.486565      0.110747     -0.620464
  C      -6.032415      0.608337     -1.814691
  N      -5.680197      1.751276     -2.384935
  C      -4.716205      2.471076     -1.747358
  C      -4.328773      3.716825     -2.302152
  C      -3.369560      4.474533     -1.671868
  C      -2.791227      3.979896     -0.481035
  N      -3.118228      2.827446      0.080943
  C      -4.070170      2.066078     -0.526309
  C      -3.859505      4.946078      4.926074
  C      -5.011644      4.831174      3.941384
  C      -4.569645      4.212616      2.623748
  O      -5.667418      4.032032      1.714269
  C      -6.000951      5.049899      0.897300
  C      -5.426466      6.312870      0.897260
  C      -5.848607      7.261166     -0.058581
  N      -6.768786      7.054074     -0.985609
  C      -7.351691      5.818290     -0.994425
  C      -8.334945      5.529819     -1.972649
  C      -8.920549      4.283851     -1.992821
  C      -8.527283      3.331066     -1.025787
  N      -7.617852      3.552566     -0.091032
  C      -7.024209      4.774785     -0.071319
  C      -6.562838      1.844968      7.495042
  C      -6.986209      3.332553      7.492763
  C      -8.310882      3.558453      6.784203
  O      -8.122129      3.109721      5.424689
  C      -9.196246      2.956003      4.626677
  C     -10.457394      3.481099      4.849835
  C     -11.482024      3.217548      3.912076
  N     -11.347772      2.478708      2.822890
  C     -10.112644      1.943778      2.596549
  C      -9.914380      1.104955      1.472200
  C      -8.672400      0.555924      1.242819
  C      -7.621429      0.847981      2.134259
  N      -7.771838      1.612636      3.205998
  C      -8.991886      2.162659      3.453636
  H      -3.423722     -1.618516      4.437442
  H      -4.470785     -0.397724      3.695292
  H      -1.460981     -0.475352      3.104596
  H      -2.600088     -1.509719      2.242519
  H      -2.036157      0.628603      1.029345
  H      -2.828297      1.556166      2.319246
  H      -5.820760     -0.844012     -0.212342
  H      -6.802020      0.024496     -2.330208
  H      -4.820517      4.041706     -3.220246
  H      -3.058118      5.441397     -2.068731
  H      -2.024916      4.567747      0.035045
  H      -3.005320      5.424933      4.409760
  H      -4.147251      5.637481      5.740194
  H      -5.393860      5.847953      3.763627
  H      -5.841272      4.247494      4.365593
  H      -4.175175      3.202558      2.774829
  H      -3.776303      4.808574      2.146816
  H      -4.653266      6.593414      1.610218
  H      -5.386115      8.253833     -0.048767
  H      -8.596002      6.311200     -2.688139
  H      -9.675046      4.022850     -2.735870
  H      -8.983543      2.336570     -1.028995
  H      -6.922494      1.350999      8.413736
  H      -7.035214      1.343699      6.641982
  H      -6.212609      3.918368      6.971764
  H      -7.062542      3.734559      8.513906
  H      -8.588619      4.624391      6.791346
  H      -9.129728      2.977699      7.241307
  H     -10.674037      4.092802      5.724521
  H     -12.473562      3.646595      4.086516
  H     -10.764136      0.919276      0.813663
  H      -8.485338     -0.086869      0.382835
  H      -6.619856      0.442608      1.970760
  N      -5.490900      1.875542      4.622285
  H      -6.445781      1.811424      4.059775
100
Coordinates from ORCA-job orca E -6429.410376384415
  N      -3.079037      0.357682      5.070820
  Mo     -4.151879      1.896143      5.686182
  N      -5.108011      1.648104      7.397210
  C      -4.398525      1.662699      8.674040
  C      -2.983003      1.149372      8.475799
  N      -2.403151      1.795063      7.279455
  C      -1.324784      0.999443      6.654114
  C      -1.938721     -0.130521      5.852014
  C      -2.001055      3.196171      7.523636
  C      -2.097122      3.978791      6.225586
  N      -3.377366      3.711524      5.548481
  H      -1.168133     -0.555861      5.188086
  H      -2.272262     -0.957606      6.507769
  H      -0.774744      1.666083      5.975765
  H      -0.616161      0.624084      7.412636
  H      -2.018595      5.052898      6.460537
  H      -1.253692      3.744429      5.550833
  H      -2.703715      3.625253      8.250636
  H      -0.986609      3.248564      7.956598
  H      -4.921912      1.016671      9.399852
  H      -4.395214      2.681709      9.108180
  H      -3.016360      0.067651      8.286946
  H      -2.356181      1.323882      9.367405
  C      -3.455832     -0.590839      4.009653
  C      -2.528241     -0.558473      2.784512
  C      -2.802156      0.579765      1.818738
  O      -4.101545      0.312774      1.230279
  C      -4.502562      0.844074      0.051006
  C      -5.495062      0.139503     -0.618687
  C      -6.029087      0.638646     -1.817741
  N      -5.655562      1.771727     -2.394233
  C      -4.683266      2.480598     -1.757180
  C      -4.273011      3.715984     -2.319308
  C      -3.307344      4.463898     -1.687773
  C      -2.747123      3.970961     -0.487109
  N      -3.094360      2.827509      0.080946
  C      -4.051266      2.074539     -0.529288
  C      -3.875640      4.946274      4.914995
  C      -5.027570      4.826260      3.930340
  C      -4.586531      4.198083      2.616797
  O      -5.683696      4.027091      1.704815
  C      -5.996777      5.042553      0.876860
  C      -5.406304      6.298377      0.872636
  C      -5.805779      7.243517     -0.095431
  N      -6.719159      7.040888     -1.030069
  C      -7.320258      5.813817     -1.033105
  C      -8.300431      5.531768     -2.016204
  C      -8.906307      4.295787     -2.029337
  C      -8.534096      3.345097     -1.052336
  N      -7.627064      3.560413     -0.113335
  C      -7.015486      4.773888     -0.098701
  C      -6.558330      1.832464      7.520478
  C      -6.994485      3.316058      7.520030
  C      -8.328737      3.527181      6.825413
  O      -8.145839      3.084264      5.463151
  C      -9.223767      2.925679      4.671673
  C     -10.490967      3.428088      4.912387
  C     -11.517843      3.164312      3.977421
  N     -11.379904      2.446687      2.874570
  C     -10.138475      1.934938      2.630301
  C      -9.934234      1.121717      1.488163
  C      -8.685436      0.597048      1.240685
  C      -7.633917      0.887003      2.131896
  N      -7.788886      1.628361      3.219172
  C      -9.015730      2.154521      3.484370
  H      -3.446460     -1.608072      4.440670
  H      -4.484739     -0.382078      3.694935
  H      -1.475510     -0.490386      3.102234
  H      -2.628554     -1.511743      2.242315
  H      -2.044065      0.617904      1.025282
  H      -2.815048      1.557495      2.319661
  H      -5.845056     -0.808044     -0.206860
  H      -6.807046      0.064696     -2.331805
  H      -4.754079      4.041824     -3.242753
  H      -2.978686      5.422880     -2.089899
  H      -1.979337      4.553845      0.032419
  H      -3.021503      5.422370      4.396135
  H      -4.163669      5.642010      5.725474
  H      -5.406044      5.843446      3.744991
  H      -5.859113      4.248305      4.358418
  H      -4.204770      3.184091      2.773351
  H      -3.784602      4.783453      2.141862
  H      -4.637639      6.575888      1.591567
  H      -5.329361      8.229679     -0.089873
  H      -8.544315      6.310647     -2.740397
  H      -9.660904      4.041306     -2.774677
  H      -9.006399      2.358427     -1.049714
  H      -6.907664      1.335696      8.441357
  H      -7.031874      1.326800      6.670621
  H      -6.232521      3.907086      6.987877
  H      -7.062848      3.720185      8.540994
  H      -8.619660      4.589763      6.836653
  H      -9.136097      2.935474      7.289198
  H     -10.710686      4.021982      5.798502
  H     -12.514792      3.574725      4.166467
  H     -10.785030      0.936114      0.830688
  H      -8.493726     -0.025377      0.366968
  H      -6.628188      0.499914      1.953913
  N      -5.509406      1.875575      4.640765
  H      -6.465139      1.815225      4.082121
100
Coordinates from ORCA-job orca E -6429.410556505715
  N      -3.078105      0.372300      5.065974
  Mo     -4.156741      1.901816      5.694069
  N      -5.104988      1.640386      7.407315
  C      -4.391326      1.651847      8.681922
  C      -2.973605      1.148016      8.475565
  N      -2.402605      1.802406      7.279573
  C      -1.322309      1.015431      6.646515
  C      -1.933645     -0.114281      5.842132
  C      -2.006867      3.204625      7.528650
  C      -2.110401      3.992575      6.234674
  N      -3.389326      3.719859      5.557663
  H      -1.162706     -0.534837      5.175367
  H      -2.262315     -0.944768      6.496579
  H      -0.778587      1.688153      5.968933
  H      -0.608621      0.640828      7.400627
  H      -2.038796      5.066106      6.474772
  H      -1.266361      3.767353      5.557658
  H      -2.709243      3.626743      8.259917
  H      -0.991467      3.260213      7.958762
  H      -4.908355      0.998320      9.405581
  H      -4.392813      2.668303      9.122023
  H      -3.001271      0.066931      8.282070
  H      -2.343962      1.322399      9.365209
  C      -3.456944     -0.574467      4.004058
  C      -2.531863     -0.540554      2.776989
  C      -2.808051      0.600073      1.814452
  O      -4.110022      0.335529      1.230604
  C      -4.513278      0.861693      0.049585
  C      -5.507755      0.154393     -0.614171
  C      -6.044322      0.647933     -1.814490
  N      -5.671948      1.778263     -2.397083
  C      -4.698673      2.490372     -1.765339
  C      -4.291194      3.723867     -2.333663
  C      -3.324245      4.474871     -1.707950
  C      -2.760144      3.986968     -0.507040
  N      -3.104956      2.845857      0.066837
  C      -4.063300      2.089680     -0.537400
  C      -3.889496      4.951151      4.919874
  C      -5.037283      4.823668      3.931403
  C      -4.593128      4.181514      2.625796
  O      -5.685737      4.021417      1.706556
  C      -5.967983      5.029821      0.859114
  C      -5.349795      6.272137      0.839639
  C      -5.715327      7.207098     -0.151398
  N      -6.621321      7.007089     -1.093954
  C      -7.252579      5.795297     -1.079361
  C      -8.229623      5.517788     -2.066803
  C      -8.868440      4.298444     -2.059699
  C      -8.532635      3.360148     -1.057784
  N      -7.628189      3.571080     -0.115225
  C      -6.983845      4.767507     -0.120837
  C      -6.556230      1.813775      7.536689
  C      -7.003588      3.293797      7.543777
  C      -8.344525      3.495632      6.859430
  O      -8.165022      3.062938      5.493359
  C      -9.245121      2.903903      4.705051
  C     -10.515610      3.392495      4.957257
  C     -11.543984      3.131648      4.023204
  N     -11.404210      2.430000      2.910362
  C     -10.159549      1.931972      2.654584
  C      -9.952804      1.136762      1.500243
  C      -8.700695      0.625568      1.241463
  C      -7.648579      0.910263      2.133893
  N      -7.805659      1.634981      3.232061
  C      -9.035537      2.148863      3.507705
  H      -3.447834     -1.592391      4.433507
  H      -4.486178     -0.364171      3.691256
  H      -1.478053     -0.474525      3.091580
  H      -2.635118     -1.492787      2.233131
  H      -2.053165      0.640089      1.018445
  H      -2.818789      1.576152      2.318314
  H      -5.857279     -0.791057     -0.197010
  H      -6.823423      0.071704     -2.324129
  H      -4.775331      4.045678     -3.256900
  H      -2.997574      5.432421     -2.114854
  H      -1.989986      4.571773      0.006571
  H      -3.035081      5.428260      4.402446
  H      -4.182788      5.648466      5.727115
  H      -5.411469      5.840442      3.734238
  H      -5.872400      4.252432      4.361928
  H      -4.227659      3.162977      2.791996
  H      -3.778513      4.752091      2.154646
  H      -4.584038      6.546287      1.563089
  H      -5.216170      8.181934     -0.158762
  H      -8.445637      6.286905     -2.810043
  H      -9.622712      4.048574     -2.806960
  H      -9.034282      2.388155     -1.036375
  H      -6.898598      1.310720      8.456767
  H      -7.029043      1.308223      6.686375
  H      -6.250945      3.891564      7.006199
  H      -7.066559      3.694989      8.566058
  H      -8.646164      4.555206      6.878383
  H      -9.142984      2.892955      7.324753
  H     -10.736619      3.973407      5.851611
  H     -12.543810      3.530614      4.221747
  H     -10.804537      0.953985      0.842952
  H      -8.506730      0.017647      0.358142
  H      -6.641030      0.531839      1.947701
  N      -5.517313      1.880889      4.652356
  H      -6.473414      1.822732      4.093883
100
Coordinates from ORCA-job orca E -6429.410732227064
  N      -3.084148      0.382798      5.061260
  Mo     -4.167113      1.904355      5.701059
  N      -5.100688      1.635532      7.421092
  C      -4.377944      1.648586      8.690535
  C      -2.959278      1.152636      8.472684
  N      -2.400870      1.811813      7.273286
  C      -1.321123      1.031332      6.631451
  C      -1.932598     -0.099900      5.829566
  C      -2.010834      3.215678      7.521622
  C      -2.126560      4.004934      6.229387
  N      -3.406928      3.724975      5.558156
  H      -1.164335     -0.515707      5.157205
  H      -2.253130     -0.932742      6.484734
  H      -0.785396      1.707845      5.951383
  H      -0.600483      0.658954      7.379981
  H      -2.061296      5.078607      6.470937
  H      -1.284451      3.786676      5.547399
  H      -2.710753      3.633099      8.258019
  H      -0.992970      3.276078      7.945308
  H      -4.886189      0.991071      9.416765
  H      -4.381728      2.664267      9.132378
  H      -2.983047      0.071706      8.277644
  H      -2.323668      1.328878      9.357710
  C      -3.466389     -0.564824      4.000860
  C      -2.543686     -0.535083      2.771874
  C      -2.811280      0.609699      1.811989
  O      -4.119524      0.362658      1.234505
  C      -4.513676      0.883570      0.047899
  C      -5.509720      0.179560     -0.616705
  C      -6.035354      0.669492     -1.823482
  N      -5.650647      1.792973     -2.411450
  C      -4.675701      2.501983     -1.778608
  C      -4.253394      3.727520     -2.353397
  C      -3.285652      4.475869     -1.725489
  C      -2.736304      3.993808     -0.515455
  N      -3.093912      2.859368      0.063669
  C      -4.051999      2.105052     -0.543615
  C      -3.911873      4.951917      4.914488
  C      -5.057628      4.816209      3.924948
  C      -4.612874      4.161250      2.625896
  O      -5.701804      4.012139      1.700341
  C      -5.958762      5.016447      0.840266
  C      -5.317665      6.246833      0.812080
  C      -5.654802      7.175522     -0.195025
  N      -6.554436      6.980491     -1.144761
  C      -7.209753      5.781711     -1.120254
  C      -8.182890      5.509905     -2.113129
  C      -8.845323      4.303035     -2.096023
  C      -8.537315      3.371870     -1.078449
  N      -7.637549      3.577898     -0.130687
  C      -6.970474      4.761611     -0.145726
  C      -6.551896      1.798210      7.561641
  C      -7.010518      3.274727      7.574320
  C      -8.359210      3.465405      6.902284
  O      -8.186674      3.038819      5.533831
  C      -9.270134      2.880804      4.749984
  C     -10.543943      3.352729      5.016689
  C     -11.574703      3.096491      4.083892
  N     -11.433964      2.415122      2.958740
  C     -10.185950      1.933179      2.688689
  C      -9.977283      1.160021      1.519731
  C      -8.721996      0.663747      1.247383
  C      -7.668466      0.941563      2.140520
  N      -7.826710      1.646442      3.251523
  C      -9.059883      2.145861      3.540209
  H      -3.459171     -1.582628      4.431496
  H      -4.495522     -0.352282      3.689137
  H      -1.488869     -0.478600      3.083604
  H      -2.655911     -1.485185      2.226726
  H      -2.060240      0.640085      1.011942
  H      -2.806251      1.585610      2.316333
  H      -5.868475     -0.760807     -0.195945
  H      -6.815429      0.095708     -2.334378
  H      -4.726886      4.045599     -3.283314
  H      -2.947735      5.427320     -2.137307
  H      -1.966690      4.577100      0.000731
  H      -3.058798      5.429707      4.395539
  H      -4.208736      5.651698      5.718133
  H      -5.429447      5.831425      3.716743
  H      -5.894725      4.251065      4.359470
  H      -4.262315      3.138611      2.799005
  H      -3.787336      4.718041      2.157361
  H      -4.553583      6.515446      1.539421
  H      -5.136699      8.140284     -0.209976
  H      -8.376809      6.272747     -2.868891
  H      -9.596924      4.057564     -2.847269
  H      -9.057118      2.409260     -1.049065
  H      -6.883664      1.291757      8.483941
  H      -7.027349      1.290172      6.714335
  H      -6.268058      3.879425      7.030111
  H      -7.067424      3.674166      8.597666
  H      -8.671803      4.521456      6.927307
  H      -9.147148      2.853090      7.372621
  H     -10.765786      3.917909      5.920787
  H     -12.577073      3.482549      4.293799
  H     -10.829771      0.981559      0.862616
  H      -8.526444      0.073235      0.352534
  H      -6.658411      0.574486      1.943450
  N      -5.534352      1.880186      4.668036
  H      -6.490634      1.825307      4.111233
100
Coordinates from ORCA-job orca E -6429.410908710950
  N      -3.087282      0.392048      5.058249
  Mo     -4.176697      1.904674      5.709229
  N      -5.093711      1.629120      7.436616
  C      -4.361370      1.647462      8.700410
  C      -2.941274      1.161162      8.471077
  N      -2.397409      1.823507      7.266585
  C      -1.317555      1.049475      6.616819
  C      -1.928444     -0.084910      5.819193
  C      -2.014483      3.229813      7.511722
  C      -2.144026      4.017695      6.219993
  N      -3.426388      3.728494      5.556332
  H      -1.162827     -0.496983      5.142057
  H      -2.240460     -0.918846      6.476688
  H      -0.790280      1.729240      5.933526
  H      -0.589707      0.681053      7.360283
  H      -2.085320      5.091963      6.460734
  H      -1.304616      3.805349      5.532558
  H      -2.711883      3.642988      8.253025
  H      -0.994027      3.296802      7.928261
  H      -4.859311      0.986489      9.430587
  H      -4.368681      2.663060      9.142274
  H      -2.959615      0.080032      8.276608
  H      -2.299228      1.342142      9.350462
  C      -3.472682     -0.557907      4.000725
  C      -2.554232     -0.532196      2.768335
  C      -2.813017      0.619489      1.814239
  O      -4.131501      0.396516      1.249357
  C      -4.514879      0.904083      0.053199
  C      -5.512100      0.200706     -0.609698
  C      -6.027993      0.683663     -1.823809
  N      -5.632397      1.799130     -2.419725
  C      -4.655093      2.506844     -1.788683
  C      -4.220004      3.723889     -2.372155
  C      -3.250583      4.470654     -1.744771
  C      -2.712767      3.995909     -0.526607
  N      -3.082172      2.869355      0.060401
  C      -4.041256      2.116363     -0.547034
  C      -3.938204      4.950107      4.907317
  C      -5.082526      4.806019      3.917221
  C      -4.636667      4.142262      2.622945
  O      -5.720580      4.005563      1.689462
  C      -5.951561      5.006845      0.818712
  C      -5.289706      6.226034      0.787261
  C      -5.598758      7.150897     -0.232356
  N      -6.490293      6.962528     -1.190993
  C      -7.166730      5.775708     -1.162925
  C      -8.133153      5.511349     -2.164269
  C      -8.816840      4.316266     -2.143563
  C      -8.537022      3.389776     -1.113734
  N      -7.644173      3.588960     -0.158107
  C      -6.956512      4.760675     -0.176382
  C      -6.545388      1.775956      7.587879
  C      -7.018406      3.247672      7.607887
  C      -8.374560      3.426218      6.947603
  O      -8.207558      3.007811      5.576098
  C      -9.293543      2.856433      4.794612
  C     -10.569303      3.314728      5.075213
  C     -11.602287      3.067686      4.142393
  N     -11.461923      2.407577      3.004691
  C     -10.211825      1.939023      2.720748
  C     -10.002772      1.189207      1.536658
  C      -8.745483      0.706360      1.250562
  C      -7.690303      0.973911      2.144879
  N      -7.848175      1.657856      3.268980
  C      -9.083660      2.143897      3.571265
  H      -3.465007     -1.574862      4.433771
  H      -4.502382     -0.345390      3.691178
  H      -1.497584     -0.488447      3.075429
  H      -2.678814     -1.478960      2.220443
  H      -2.069809      0.639990      1.006663
  H      -2.787054      1.593661      2.321872
  H      -5.880029     -0.733087     -0.182432
  H      -6.809383      0.110824     -2.333723
  H      -4.684927      4.036708     -3.308146
  H      -2.902767      5.415728     -2.163043
  H      -1.943989      4.579508     -0.009552
  H      -3.087548      5.429816      4.386236
  H      -4.238803      5.651687      5.707890
  H      -5.453042      5.819804      3.700939
  H      -5.920618      4.245029      4.354890
  H      -4.300588      3.115464      2.800002
  H      -3.800430      4.687252      2.159866
  H      -4.528586      6.488257      1.520037
  H      -5.063574      8.106224     -0.250147
  H      -8.305259      6.270004     -2.929439
  H      -9.563973      4.076994     -2.901171
  H      -9.074228      2.436627     -1.081055
  H      -6.865636      1.263556      8.511022
  H      -7.021360      1.265641      6.742337
  H      -6.287201      3.860723      7.057532
  H      -7.069620      3.644750      8.632510
  H      -8.698753      4.478409      6.979965
  H      -9.151809      2.802917      7.421139
  H     -10.791237      3.862622      5.989850
  H     -12.606353      3.442690      4.363599
  H     -10.856290      1.017694      0.879335
  H      -8.548845      0.135333      0.343339
  H      -6.678763      0.617724      1.935969
  N      -5.552016      1.873752      4.686405
  H      -6.509374      1.821839      4.132863
100
Coordinates from ORCA-job orca E -6429.411077061694
  N      -3.094192      0.401271      5.054239
  Mo     -4.186693      1.907407      5.715965
  N      -5.088823      1.625291      7.449898
  C      -4.347594      1.646771      8.708465
  C      -2.926615      1.168478      8.467970
  N      -2.395920      1.833953      7.259243
  C      -1.316973      1.065309      6.601305
  C      -1.928278     -0.071363      5.807152
  C      -2.018032      3.242016      7.502105
  C      -2.158983      4.029192      6.211300
  N      -3.442986      3.732897      5.554074
  H      -1.165222     -0.479476      5.124539
  H      -2.231893     -0.907164      6.466442
  H      -0.797537      1.748012      5.914866
  H      -0.582199      0.699838      7.339414
  H      -2.105141      5.103817      6.451683
  H      -1.322250      3.821573      5.519179
  H      -2.712656      3.652045      8.247728
  H      -0.995380      3.313656      7.912326
  H      -4.836414      0.982281      9.441580
  H      -4.357450      2.661846      9.151394
  H      -2.940751      0.087354      8.273173
  H      -2.278397      1.352737      9.342110
  C      -3.483736     -0.548952      3.998753
  C      -2.569641     -0.525782      2.763197
  C      -2.818285      0.634382      1.816432
  O      -4.145644      0.436964      1.262326
  C      -4.518228      0.933031      0.057802
  C      -5.519605      0.233514     -0.602447
  C      -6.023739      0.709627     -1.824494
  N      -5.612896      1.814348     -2.429738
  C      -4.630957      2.518042     -1.801059
  C      -4.179678      3.724527     -2.394042
  C      -3.205211      4.466614     -1.768757
  C      -2.678762      3.998054     -0.543306
  N      -3.063625      2.881379      0.052773
  C      -4.027929      2.133446     -0.552588
  C      -3.958873      4.949478      4.899019
  C      -5.101149      4.797469      3.907677
  C      -4.655473      4.120368      2.620399
  O      -5.734792      3.995334      1.679732
  C      -5.941536      4.992132      0.797669
  C      -5.261318      6.200958      0.761225
  C      -5.546028      7.120118     -0.270634
  N      -6.430802      6.935525     -1.236314
  C      -7.126330      5.760016     -1.202615
  C      -8.087514      5.500355     -2.210172
  C      -8.792049      4.317488     -2.182197
  C      -8.538323      3.398650     -1.138901
  N      -7.649996      3.593087     -0.178041
  C      -6.941908      4.752266     -0.203439
  C      -6.540972      1.756493      7.611885
  C      -7.029668      3.222716      7.643219
  C      -8.392966      3.389117      6.994491
  O      -8.230311      2.980300      5.619642
  C      -9.318159      2.831458      4.840479
  C     -10.596949      3.273604      5.133015
  C     -11.630977      3.032838      4.199610
  N     -11.488439      2.394151      3.049983
  C     -10.235002      1.941994      2.753836
  C     -10.022506      1.218248      1.554164
  C      -8.761739      0.752605      1.255363
  C      -7.706870      1.010351      2.153018
  N      -7.867573      1.671139      3.290387
  C      -9.106364      2.140898      3.604928
  H      -3.476131     -1.565644      4.432064
  H      -4.514098     -0.335130      3.692209
  H      -1.511044     -0.496404      3.065878
  H      -2.707636     -1.468313      2.210843
  H      -2.081957      0.646905      1.002602
  H      -2.772059      1.605567      2.328710
  H      -5.900248     -0.691554     -0.167463
  H      -6.808228      0.139766     -2.333042
  H      -4.636264      4.033191     -3.335516
  H      -2.845189      5.403989     -2.193976
  H      -1.906245      4.578304     -0.028081
  H      -3.109380      5.429356      4.376208
  H      -4.262830      5.654000      5.695719
  H      -5.467967      5.810404      3.680294
  H      -5.942138      4.243871      4.349420
  H      -4.336160      3.089474      2.804376
  H      -3.807631      4.650072      2.161087
  H      -4.503095      6.459104      1.498385
  H      -4.996142      8.066976     -0.292456
  H      -8.240106      6.253080     -2.985280
  H      -9.536446      4.082590     -2.943887
  H      -9.094585      2.456684     -1.098660
  H      -6.849603      1.235784      8.534315
  H      -7.017329      1.245830      6.766782
  H      -6.310191      3.846215      7.089166
  H      -7.076075      3.614603      8.670019
  H      -8.729260      4.437325      7.035613
  H      -9.159418      2.753634      7.469719
  H     -10.820670      3.804211      6.057339
  H     -12.637874      3.394300      4.430751
  H     -10.876265      1.053052      0.895319
  H      -8.561507      0.203205      0.335723
  H      -6.693017      0.666839      1.934806
  N      -5.569552      1.873300      4.702655
  H      -6.529595      1.825455      4.153426
100
Coordinates from ORCA-job orca E -6429.411235668716
  N      -3.096704      0.412335      5.051050
  Mo     -4.195054      1.910305      5.722640
  N      -5.082665      1.619282      7.462407
  C      -4.333301      1.645751      8.716112
  C      -2.910488      1.178142      8.465362
  N      -2.393565      1.847885      7.252968
  C      -1.313838      1.086809      6.587224
  C      -1.923139     -0.053425      5.796485
  C      -2.023708      3.258350      7.493986
  C      -2.176183      4.044328      6.203991
  N      -3.460949      3.738775      5.552474
  H      -1.161676     -0.456397      5.108898
  H      -2.217139     -0.891335      6.457637
  H      -0.803191      1.773243      5.897879
  H      -0.571893      0.725707      7.320284
  H      -2.128937      5.119407      6.443883
  H      -1.341380      3.842559      5.507820
  H      -2.717151      3.663898      8.243173
  H      -0.999447      3.336690      7.898922
  H      -4.812143      0.977174      9.452093
  H      -4.347677      2.660380      9.159847
  H      -2.918097      0.097036      8.270033
  H      -2.257112      1.366936      9.334674
  C      -3.489047     -0.540803      3.999594
  C      -2.581376     -0.520283      2.759650
  C      -2.823311      0.646003      1.818654
  O      -4.160225      0.471792      1.278962
  C      -4.523637      0.949304      0.063978
  C      -5.526574      0.247926     -0.591314
  C      -6.020981      0.711451     -1.822451
  N      -5.599333      1.804953     -2.440047
  C      -4.616185      2.510847     -1.815459
  C      -4.155039      3.707509     -2.420474
  C      -3.180183      4.451740     -1.798415
  C      -2.663303      3.995482     -0.564318
  N      -3.057605      2.887980      0.043095
  C      -4.022257      2.138290     -0.559349
  C      -3.983158      4.949978      4.892877
  C      -5.121557      4.788977      3.898498
  C      -4.670959      4.104913      2.616688
  O      -5.742319      3.991166      1.665187
  C      -5.924523      4.985740      0.775278
  C      -5.226934      6.184475      0.739858
  C      -5.488134      7.102237     -0.299418
  N      -6.365360      6.924990     -1.273283
  C      -7.077469      5.759452     -1.241369
  C      -8.032100      5.508160     -2.257132
  C      -8.754841      4.336363     -2.229549
  C      -8.525174      3.419571     -1.178977
  N      -7.642280      3.605590     -0.211229
  C      -6.917270      4.754223     -0.235466
  C      -6.535301      1.731056      7.634636
  C      -7.041949      3.190450      7.680694
  C      -8.411812      3.344195      7.042885
  O      -8.253184      2.947685      5.663945
  C      -9.343162      2.803816      4.887178
  C     -10.624349      3.229913      5.193025
  C     -11.660348      2.997853      4.259522
  N     -11.517089      2.383031      3.096996
  C     -10.260970      1.947427      2.787142
  C     -10.046800      1.252222      1.570919
  C      -8.783412      0.803564      1.257946
  C      -7.727884      1.049273      2.158188
  N      -7.889669      1.684684      3.309646
  C      -9.131025      2.137784      3.638335
  H      -3.477291     -1.556554      4.434725
  H      -4.521248     -0.329716      3.697494
  H      -1.520522     -0.503079      3.056300
  H      -2.732123     -1.459608      2.204648
  H      -2.095921      0.649539      0.996906
  H      -2.756322      1.615018      2.332967
  H      -5.916499     -0.668211     -0.145885
  H      -6.806722      0.140328     -2.327627
  H      -4.604649      4.007416     -3.368160
  H      -2.812821      5.382198     -2.232570
  H      -1.890778      4.577979     -0.051786
  H      -3.135342      5.433121      4.370370
  H      -4.293275      5.655141      5.686599
  H      -5.488050      5.800320      3.663131
  H      -5.964091      4.238255      4.341126
  H      -4.365420      3.070662      2.804651
  H      -3.812527      4.624154      2.165197
  H      -4.472488      6.435976      1.483173
  H      -4.925087      8.041355     -0.319965
  H      -8.166243      6.258789     -3.037641
  H      -9.495216      4.108527     -2.997324
  H      -9.097320      2.487170     -1.138263
  H      -6.831529      1.199166      8.554736
  H      -7.010498      1.221270      6.788459
  H      -6.334685      3.826823      7.125680
  H      -7.085251      3.574415      8.710482
  H      -8.760904      4.387835      7.094547
  H      -9.167018      2.695316      7.518334
  H     -10.848707      3.741328      6.127979
  H     -12.669436      3.345932      4.501715
  H     -10.901476      1.095445      0.911078
  H      -8.580868      0.277501      0.325363
  H      -6.712359      0.717989      1.929893
  N      -5.584931      1.871643      4.718298
  H      -6.547686      1.827877      4.173895
100
Coordinates from ORCA-job orca E -6429.411392448679
  N      -3.103803      0.423884      5.048085
  Mo     -4.204860      1.915954      5.729017
  N      -5.079193      1.615588      7.474086
  C      -4.322072      1.645480      8.723131
  C      -2.897958      1.187370      8.462549
  N      -2.393489      1.861434      7.247396
  C      -1.314258      1.106856      6.573230
  C      -1.922958     -0.036173      5.785670
  C      -2.030148      3.273626      7.487579
  C      -2.192499      4.059372      6.198986
  N      -3.477702      3.746491      5.551817
  H      -1.163607     -0.434538      5.092994
  H      -2.208221     -0.875945      6.448379
  H      -0.811931      1.796564      5.881029
  H      -0.565373      0.749032      7.300841
  H      -2.150760      5.134567      6.439312
  H      -1.359316      3.863052      5.499430
  H      -2.722231      3.674980      8.240177
  H      -1.004476      3.357379      7.887770
  H      -4.791777      0.972762      9.461220
  H      -4.340208      2.659273      9.168507
  H      -2.899998      0.106475      8.265997
  H      -2.239886      1.379450      9.327600
  C      -3.499864     -0.530769      3.999664
  C      -2.598256     -0.512348      2.755718
  C      -2.834064      0.658611      1.819093
  O      -4.177417      0.503223      1.289117
  C      -4.531488      0.964688      0.065044
  C      -5.536340      0.262745     -0.586272
  C      -6.019687      0.713969     -1.826578
  N      -5.585167      1.795310     -2.456267
  C      -4.600582      2.502218     -1.834956
  C      -4.127402      3.687816     -2.452215
  C      -3.151120      4.432835     -1.833480
  C      -2.644916      3.988713     -0.590543
  N      -3.051186      2.891904      0.028849
  C      -4.017336      2.141706     -0.570524
  C      -4.003026      4.952693      4.885597
  C      -5.134846      4.783126      3.885068
  C      -4.676355      4.091136      2.610181
  O      -5.738677      3.985909      1.647485
  C      -5.900520      4.978230      0.751058
  C      -5.189003      6.168708      0.716100
  C      -5.431998      7.084808     -0.329064
  N      -6.303938      6.913258     -1.308708
  C      -7.029716      5.756150     -1.277406
  C      -7.980749      5.511960     -2.298213
  C      -8.719255      4.350184     -2.269352
  C      -8.507645      3.435255     -1.213425
  N      -7.627120      3.613908     -0.241919
  C      -6.887949      4.753402     -0.266411
  C      -6.531949      1.707541      7.656778
  C      -7.057291      3.159206      7.722090
  C      -8.433494      3.300136      7.095367
  O      -8.278087      2.920279      5.711396
  C      -9.370038      2.774699      4.938110
  C     -10.655849      3.176045      5.257932
  C     -11.692674      2.947234      4.324608
  N     -11.545552      2.359493      3.148519
  C     -10.284416      1.949810      2.823973
  C     -10.064417      1.288629      1.589787
  C      -8.795516      0.867548      1.260958
  C      -7.740779      1.105050      2.164327
  N      -7.907915      1.709265      3.331588
  C      -9.154248      2.136899      3.675380
  H      -3.484437     -1.546181      4.435578
  H      -4.533891     -0.321597      3.702296
  H      -1.535843     -0.505304      3.047469
  H      -2.759629     -1.448802      2.198638
  H      -2.112798      0.654863      0.991978
  H      -2.751130      1.625822      2.334579
  H      -5.936574     -0.644028     -0.130904
  H      -6.807231      0.142646     -2.328769
  H      -4.569268      3.979230     -3.406219
  H      -2.774660      5.355302     -2.276856
  H      -1.870990      4.572116     -0.081129
  H      -3.154891      5.438100      4.365787
  H      -4.320853      5.659124      5.675194
  H      -5.500155      5.792810      3.639945
  H      -5.980211      4.235918      4.326654
  H      -4.383938      3.054208      2.804014
  H      -3.807745      4.600531      2.166950
  H      -4.437968      6.415375      1.464446
  H      -4.858399      8.017557     -0.349193
  H      -8.100526      6.260630     -3.082935
  H      -9.458180      4.128535     -3.040388
  H      -9.093622      2.511624     -1.171047
  H      -6.815063      1.161881      8.572938
  H      -7.006101      1.200643      6.808331
  H      -6.362583      3.810897      7.169083
  H      -7.098600      3.531880      8.756101
  H      -8.796645      4.338278      7.160196
  H      -9.176398      2.635822      7.568979
  H     -10.883353      3.665479      6.203812
  H     -12.705829      3.274583      4.578549
  H     -10.919206      1.136391      0.928908
  H      -8.587588      0.369673      0.314280
  H      -6.721168      0.794723      1.925361
  N      -5.601078      1.876023      4.733325
  H      -6.567712      1.837269      4.194290
100
Coordinates from ORCA-job orca E -6429.411551082001
  N      -3.110489      0.435642      5.046294
  Mo     -4.213844      1.922850      5.734219
  N      -5.075825      1.612690      7.484085
  C      -4.311529      1.647525      8.728800
  C      -2.885798      1.199707      8.459553
  N      -2.393392      1.877679      7.241663
  C      -1.314626      1.129389      6.559773
  C      -1.921992     -0.017250      5.776086
  C      -2.037092      3.291779      7.480187
  C      -2.208697      4.076570      6.192553
  N      -3.493411      3.755130      5.548766
  H      -1.164441     -0.410363      5.078470
  H      -2.197660     -0.858958      6.440437
  H      -0.820708      1.821799      5.864200
  H      -0.558803      0.775520      7.282149
  H      -2.173457      5.151944      6.433065
  H      -1.376459      3.886336      5.490274
  H      -2.728626      3.689152      8.235276
  H      -1.010471      3.381731      7.876491
  H      -4.771989      0.971084      9.469292
  H      -4.334205      2.660806      9.175002
  H      -2.881574      0.118962      8.262276
  H      -2.223802      1.395854      9.320718
  C      -3.510592     -0.522125      4.002383
  C      -2.615016     -0.507744      2.754519
  C      -2.843237      0.667735      1.822038
  O      -4.193458      0.533586      1.303565
  C      -4.538157      0.975251      0.069324
  C      -5.544221      0.270556     -0.576442
  C      -6.015968      0.705448     -1.827321
  N      -5.569296      1.773316     -2.471241
  C      -4.584738      2.484078     -1.854090
  C      -4.101585      3.658240     -2.485118
  C      -3.125920      4.407270     -1.870187
  C      -2.630064      3.978480     -0.617760
  N      -3.046420      2.892914      0.014911
  C      -4.012252      2.139303     -0.580559
  C      -4.021840      4.955390      4.873951
  C      -5.145864      4.776273      3.866152
  C      -4.679970      4.073578      2.599507
  O      -5.732889      3.978196      1.625353
  C      -5.875970      4.971515      0.726843
  C      -5.150502      6.153608      0.696182
  C      -5.378008      7.072995     -0.349683
  N      -6.247009      6.911905     -1.333673
  C      -6.985409      5.762703     -1.307600
  C      -7.934034      5.530034     -2.333224
  C      -8.685802      4.376821     -2.309002
  C      -8.488920      3.458155     -1.253491
  N      -7.610297      3.625691     -0.278077
  C      -6.859269      4.757443     -0.297065
  C      -6.528335      1.682205      7.676923
  C      -7.074064      3.124749      7.764757
  C      -8.455773      3.252547      7.147592
  O      -8.302810      2.892569      5.758088
  C      -9.396487      2.744439      4.988058
  C     -10.687202      3.117480      5.322265
  C     -11.724642      2.891346      4.389152
  N     -11.573395      2.333353      3.199090
  C     -10.307096      1.953118      2.859443
  C     -10.081032      1.328629      1.607186
  C      -8.806487      0.938382      1.262133
  C      -7.752361      1.168317      2.168208
  N      -7.925230      1.738391      3.351681
  C      -9.176725      2.137783      3.710942
  H      -3.491941     -1.536783      4.440468
  H      -4.546349     -0.314790      3.709331
  H      -1.551303     -0.512536      3.041210
  H      -2.788682     -1.440964      2.195743
  H      -2.128954      0.655031      0.989055
  H      -2.742286      1.633008      2.337967
  H      -5.954447     -0.625582     -0.108929
  H      -6.804304      0.131825     -2.325668
  H      -4.535475      3.938446     -3.446130
  H      -2.741877      5.321468     -2.323976
  H      -1.856149      4.565055     -0.112062
  H      -3.172851      5.442838      4.357591
  H      -4.348551      5.663704      5.658239
  H      -5.508833      5.784108      3.609502
  H      -5.995112      4.234249      4.306647
  H      -4.403369      3.033533      2.800357
  H      -3.800291      4.570738      2.164005
  H      -4.401529      6.391924      1.449294
  H      -4.794172      7.999475     -0.366152
  H      -8.041417      6.280706     -3.117861
  H      -9.423682      4.164212     -3.083629
  H      -9.085590      2.541272     -1.215125
  H      -6.797414      1.120495      8.587695
  H      -7.000557      1.179209      6.825170
  H      -6.391969      3.794202      7.217397
  H      -7.115572      3.482726      8.803990
  H      -8.834019      4.284221      7.227314
  H      -9.185693      2.571368      7.617419
  H     -10.918138      3.582714      6.279431
  H     -12.742037      3.194921      4.655287
  H     -10.936015      1.180058      0.945654
  H      -8.593204      0.470331      0.301610
  H      -6.728311      0.881915      1.918448
  N      -5.615372      1.882795      4.746210
  H      -6.586126      1.850740      4.212646
100
Coordinates from ORCA-job orca E -6429.411694553348
  N      -3.117729      0.449153      5.042735
  Mo     -4.222882      1.930595      5.739412
  N      -5.073294      1.608184      7.493182
  C      -4.302267      1.645816      8.733889
  C      -2.874973      1.208779      8.455951
  N      -2.394081      1.892406      7.236722
  C      -1.316109      1.151289      6.545927
  C      -1.922238      0.002123      5.764740
  C      -2.044972      3.307947      7.475950
  C      -2.225634      4.094247      6.190709
  N      -3.508900      3.764809      5.548505
  H      -1.166289     -0.385673      5.062550
  H      -2.189297     -0.841905      6.429663
  H      -0.830877      1.847291      5.847832
  H      -0.553155      0.800439      7.262286
  H      -2.197991      5.169273      6.434078
  H      -1.393464      3.912703      5.485966
  H      -2.736148      3.699683      8.234308
  H      -1.017512      3.403633      7.868739
  H      -4.753817      0.964490      9.475384
  H      -4.329717      2.657859      9.182550
  H      -2.864194      0.128495      8.256516
  H      -2.209649      1.407872      9.313897
  C      -3.521856     -0.510306      4.001982
  C      -2.629659     -0.501028      2.751805
  C      -2.851237      0.676943      1.821092
  O      -4.205572      0.557760      1.309923
  C      -4.544508      0.986719      0.069315
  C      -5.554121      0.282431     -0.570833
  C      -6.018127      0.705847     -1.828652
  N      -5.560282      1.762011     -2.484006
  C      -4.573359      2.473437     -1.871356
  C      -4.080463      3.637296     -2.513942
  C      -3.103570      4.387950     -1.902931
  C      -2.616403      3.971101     -0.642999
  N      -3.041474      2.895135      0.000074
  C      -4.008545      2.139972     -0.591476
  C      -4.039065      4.959846      4.865229
  C      -5.155136      4.772697      3.850138
  C      -4.682781      4.057762      2.592305
  O      -5.726661      3.970721      1.607595
  C      -5.851185      4.963046      0.705261
  C      -5.110994      6.136084      0.675422
  C      -5.319590      7.053918     -0.375799
  N      -6.183253      6.899718     -1.365603
  C      -6.936012      5.759773     -1.340561
  C      -7.880367      5.534931     -2.371808
  C      -8.646059      4.390951     -2.348825
  C      -8.466782      3.473276     -1.289299
  N      -7.592828      3.633786     -0.308554
  C      -6.828928      4.756896     -0.325551
  C      -6.525090      1.658399      7.695671
  C      -7.087742      3.092754      7.803690
  C      -8.474713      3.208636      7.196398
  O      -8.325438      2.869417      5.801356
  C      -9.421914      2.716074      5.036518
  C     -10.717003      3.058496      5.386982
  C     -11.756398      2.833248      4.456058
  N     -11.603025      2.305217      3.252583
  C     -10.332447      1.956083      2.896396
  C     -10.102890      1.366595      1.627715
  C      -8.823769      1.008175      1.265481
  C      -7.768343      1.233679      2.171207
  N      -7.944299      1.770806      3.369648
  C      -9.200230      2.140568      3.745477
  H      -3.503574     -1.524350      4.441987
  H      -4.558069     -0.301731      3.711302
  H      -1.565333     -0.514763      3.035434
  H      -2.812532     -1.432160      2.192544
  H      -2.141206      0.656931      0.984648
  H      -2.737918      1.641078      2.336450
  H      -5.973238     -0.604399     -0.093528
  H      -6.809288      0.132521     -2.322804
  H      -4.508358      3.909305     -3.479974
  H      -2.712467      5.294797     -2.365297
  H      -1.842003      4.559569     -0.140337
  H      -3.188391      5.448611      4.353010
  H      -4.374068      5.669956      5.644339
  H      -5.514020      5.778967      3.581851
  H      -6.009061      4.236973      4.289206
  H      -4.422875      3.015037      2.801493
  H      -3.792364      4.541340      2.163287
  H      -4.365197      6.368239      1.433561
  H      -4.723998      7.972907     -0.391911
  H      -7.972938      6.283962     -3.159897
  H      -9.381540      4.184611     -3.127429
  H      -9.074128      2.563340     -1.252329
  H      -6.781202      1.082809      8.601582
  H      -6.996582      1.159086      6.841417
  H      -6.417297      3.777298      7.260628
  H      -7.128349      3.437679      8.847374
  H      -8.867407      4.233613      7.291032
  H      -9.191471      2.511254      7.662637
  H     -10.949659      3.499546      6.355110
  H     -12.777386      3.111581      4.735601
  H     -10.959314      1.218811      0.967892
  H      -8.608022      0.567113      0.292861
  H      -6.740786      0.971835      1.909399
  N      -5.628736      1.891956      4.758301
  H      -6.602744      1.866485      4.229437
100
Coordinates from ORCA-job orca E -6429.411807043846
  N      -3.121446      0.462657      5.040323
  Mo     -4.229631      1.938275      5.743944
  N      -5.068390      1.603885      7.501252
  C      -4.291268      1.646664      8.738205
  C      -2.861911      1.221484      8.452824
  N      -2.392802      1.909800      7.231626
  C      -1.315020      1.176234      6.532643
  C      -1.918704      0.023440      5.755028
  C      -2.051881      3.327030      7.470658
  C      -2.242010      4.113885      6.187350
  N      -3.523111      3.774670      5.546352
  H      -1.164140     -0.359233      5.048704
  H      -2.176316     -0.822319      6.421427
  H      -0.839148      1.875714      5.831550
  H      -0.544586      0.829729      7.243149
  H      -2.223672      5.188620      6.433352
  H      -1.409488      3.942240      5.480318
  H      -2.743145      3.713134      8.231927
  H      -1.023784      3.429493      7.860162
  H      -4.733521      0.961038      9.481329
  H      -4.324667      2.657972      9.188027
  H      -2.843343      0.141450      8.252756
  H      -2.193867      1.425465      9.307517
  C      -3.530276     -0.501532      4.005734
  C      -2.643666     -0.498851      2.751492
  C      -2.860456      0.681752      1.822832
  O      -4.219841      0.577620      1.321637
  C      -4.554542      0.990531      0.074131
  C      -5.566473      0.283913     -0.559168
  C      -6.024571      0.694076     -1.823773
  N      -5.558758      1.739369     -2.491011
  C      -4.569908      2.453380     -1.884275
  C      -4.069542      3.607324     -2.538995
  C      -3.091977      4.361232     -1.932848
  C      -2.611521      3.957375     -0.666048
  N      -3.043000      2.890732     -0.012229
  C      -4.010914      2.132742     -0.598815
  C      -4.056286      4.964385      4.855588
  C      -5.167213      4.770306      3.836499
  C      -4.693517      4.042735      2.586259
  O      -5.729449      3.968995      1.591957
  C      -5.832387      4.962457      0.688249
  C      -5.075555      6.125034      0.663845
  C      -5.260248      7.043704     -0.391202
  N      -6.115484      6.899897     -1.389840
  C      -6.884671      5.770822     -1.370295
  C      -7.820469      5.556805     -2.411569
  C      -8.600769      4.422542     -2.395855
  C      -8.445000      3.504215     -1.333233
  N      -7.580649      3.655234     -0.342581
  C      -6.802293      4.768496     -0.352292
  C      -6.519383      1.633277      7.711870
  C      -7.099116      3.059166      7.837939
  C      -8.490667      3.162793      7.239158
  O      -8.344064      2.843770      5.839100
  C      -9.442897      2.685916      5.078514
  C     -10.741618      2.997644      5.444521
  C     -11.782820      2.774469      4.515356
  N     -11.628068      2.276449      3.299333
  C     -10.354150      1.957030      2.927943
  C     -10.122599      1.400235      1.644792
  C      -8.840326      1.070326      1.267493
  C      -7.783131      1.291272      2.172351
  N      -7.960298      1.799147      3.383538
  C      -9.219869      2.141241      3.774335
  H      -3.511372     -1.513653      4.450399
  H      -4.567254     -0.292965      3.718277
  H      -1.578289     -0.521532      3.029985
  H      -2.836889     -1.428110      2.192750
  H      -2.156638      0.655202      0.981429
  H      -2.734552      1.644544      2.338179
  H      -5.992309     -0.593912     -0.071281
  H      -6.817312      0.118847     -2.313128
  H      -4.492348      3.869737     -3.509870
  H      -2.695420      5.260968     -2.404251
  H      -1.837630      4.549409     -0.166837
  H      -3.205182      5.454202      4.345126
  H      -4.397318      5.676268      5.630380
  H      -5.520840      5.775618      3.558000
  H      -6.025556      4.242105      4.276291
  H      -4.454036      2.996293      2.801316
  H      -3.791405      4.509596      2.163249
  H      -4.334038      6.347742      1.428987
  H      -4.651112      7.953835     -0.403092
  H      -7.894099      6.305667     -3.201822
  H      -9.330039      4.224464     -3.182366
  H      -9.063215      2.601284     -1.303056
  H      -6.762913      1.044490      8.612835
  H      -6.989222      1.136708      6.855171
  H      -6.440217      3.757600      7.298253
  H      -7.138878      3.392601      8.885412
  H      -8.897986      4.180595      7.348133
  H      -9.194183      2.449165      7.700853
  H     -10.975552      3.414429      6.422997
  H     -12.806692      3.028287      4.807399
  H     -10.980603      1.252623      0.987018
  H      -8.623501      0.652958      0.284790
  H      -6.753556      1.050342      1.899128
  N      -5.639219      1.899627      4.768752
  H      -6.615158      1.881745      4.243231
100
Coordinates from ORCA-job orca E -6429.411869306626
  N      -3.127840      0.478138      5.032845
  Mo     -4.239218      1.944280      5.751099
  N      -5.063621      1.597585      7.512539
  C      -4.278962      1.638621      8.744758
  C      -2.849158      1.223031      8.447838
  N      -2.392609      1.919296      7.226395
  C      -1.315689      1.195086      6.516342
  C      -1.918571      0.042135      5.738575
  C      -2.058098      3.337132      7.470060
  C      -2.259426      4.128816      6.191474
  N      -3.540414      3.783922      5.553317
  H      -1.166576     -0.334905      5.026442
  H      -2.167901     -0.807008      6.403949
  H      -0.849259      1.900416      5.814744
  H      -0.537775      0.850199      7.219434
  H      -2.248275      5.202489      6.443106
  H      -1.428327      3.967558      5.480094
  H      -2.747060      3.715899      8.237259
  H      -1.028299      3.443396      7.854204
  H      -4.712493      0.946652      9.487165
  H      -4.315483      2.647469      9.199816
  H      -2.825388      0.143921      8.243339
  H      -2.176422      1.427719      9.298649
  C      -3.540560     -0.486332      4.000224
  C      -2.657333     -0.486574      2.743446
  C      -2.871154      0.695564      1.815527
  O      -4.231935      0.598215      1.316272
  C      -4.564412      1.007217      0.066708
  C      -5.582051      0.305124     -0.562646
  C      -6.036034      0.711221     -1.829887
  N      -5.560458      1.747641     -2.503729
  C      -4.565641      2.456928     -1.901252
  C      -4.053382      3.601128     -2.564079
  C      -3.070827      4.351355     -1.961655
  C      -2.597895      3.954276     -0.689836
  N      -3.039320      2.895991     -0.029090
  C      -4.011580      2.140888     -0.612680
  C      -4.076160      4.971783      4.861259
  C      -5.184277      4.774836      3.840127
  C      -4.707318      4.043004      2.593788
  O      -5.735019      3.978026      1.589885
  C      -5.813052      4.962817      0.674183
  C      -5.041650      6.115663      0.645495
  C      -5.196923      7.020648     -0.426108
  N      -6.036788      6.872646     -1.437329
  C      -6.822398      5.754822     -1.412157
  C      -7.744483      5.536433     -2.464806
  C      -8.540629      4.413046     -2.443453
  C      -8.414911      3.510241     -1.363630
  N      -7.564537      3.665741     -0.361976
  C      -6.770312      4.767657     -0.377420
  C      -6.513686      1.615179      7.732126
  C      -7.104372      3.035749      7.865913
  C      -8.501895      3.126897      7.279304
  O      -8.362228      2.818538      5.876142
  C      -9.465166      2.657906      5.121941
  C     -10.764825      2.947621      5.503500
  C     -11.810440      2.728912      4.577983
  N     -11.658849      2.255080      3.351901
  C     -10.384256      1.955360      2.966044
  C     -10.156435      1.424084      1.671383
  C      -8.874055      1.111433      1.280511
  C      -7.812911      1.325039      2.182652
  N      -7.985449      1.812302      3.403028
  C      -9.245688      2.135971      3.807593
  H      -3.522633     -1.497704      4.446007
  H      -4.577690     -0.275793      3.715296
  H      -1.590948     -0.513435      3.018663
  H      -2.855577     -1.415277      2.185139
  H      -2.169245      0.666128      0.972744
  H      -2.739992      1.657522      2.331124
  H      -6.015458     -0.565985     -0.069739
  H      -6.833485      0.139865     -2.316053
  H      -4.471624      3.859389     -3.538057
  H      -2.665397      5.243892     -2.439357
  H      -1.821273      4.544552     -0.192831
  H      -3.225509      5.463582      4.351846
  H      -4.420332      5.682991      5.635191
  H      -5.535414      5.779714      3.557442
  H      -6.044702      4.249251      4.279184
  H      -4.479660      2.994491      2.811077
  H      -3.796891      4.500169      2.178089
  H      -4.308638      6.339696      1.418384
  H      -4.575427      7.922291     -0.441446
  H      -7.795491      6.273273     -3.267964
  H      -9.259558      4.212083     -3.238657
  H      -9.045743      2.616050     -1.328457
  H      -6.747248      1.021800      8.632638
  H      -6.985147      1.117884      6.876735
  H      -6.457094      3.740339      7.320271
  H      -7.137232      3.367531      8.913933
  H      -8.920977      4.138894      7.398029
  H      -9.192847      2.401586      7.741994
  H     -10.996061      3.345557      6.490448
  H     -12.834884      2.966427      4.881679
  H     -11.017354      1.280536      1.016563
  H      -8.660575      0.712012      0.289672
  H      -6.784300      1.094200      1.898183
  N      -5.655130      1.903098      4.784662
  H      -6.631132      1.887601      4.262420
100
Coordinates from ORCA-job orca E -6429.411928931022
  N      -3.132225      0.485616      5.036540
  Mo     -4.245079      1.950273      5.755028
  N      -5.057041      1.596128      7.520628
  C      -4.266834      1.647744      8.748996
  C      -2.834916      1.243211      8.446865
  N      -2.390186      1.939610      7.220997
  C      -1.314368      1.220268      6.504608
  C      -1.914782      0.060959      5.734612
  C      -2.063033      3.359591      7.459788
  C      -2.273696      4.147622      6.180575
  N      -3.552448      3.790883      5.544387
  H      -1.165143     -0.311840      5.017923
  H      -2.152363     -0.788373      6.403813
  H      -0.857992      1.926517      5.797275
  H      -0.528399      0.882166      7.202096
  H      -2.272226      5.221630      6.431493
  H      -1.442483      3.994656      5.467168
  H      -2.751914      3.735955      8.228419
  H      -1.032666      3.473446      7.840481
  H      -4.690998      0.954708      9.495803
  H      -4.309504      2.657650      9.200993
  H      -2.802814      0.163654      8.246099
  H      -2.159986      1.456561      9.293798
  C      -3.549636     -0.486647      4.013053
  C      -2.674867     -0.491856      2.750473
  C      -2.884680      0.695666      1.828219
  O      -4.250900      0.616056      1.339689
  C      -4.578554      1.003114      0.081487
  C      -5.597403      0.295509     -0.539091
  C      -6.044383      0.682547     -1.815105
  N      -5.562082      1.706108     -2.503748
  C      -4.567097      2.421719     -1.908699
  C      -4.049712      3.555015     -2.585931
  C      -3.067466      4.311497     -1.990464
  C      -2.599180      3.931010     -0.712002
  N      -3.045741      2.883610     -0.037630
  C      -4.018577      2.123458     -0.613827
  C      -4.091891      4.971748      4.842279
  C      -5.197283      4.766547      3.819816
  C      -4.720997      4.025613      2.578482
  O      -5.739951      3.976052      1.564278
  C      -5.798684      4.967305      0.654325
  C      -5.014414      6.111719      0.641199
  C      -5.150928      7.027752     -0.423622
  N      -5.983372      6.897435     -1.443187
  C      -6.779488      5.786955     -1.435295
  C      -7.692045      5.586610     -2.499755
  C      -8.497091      4.469326     -2.498150
  C      -8.390318      3.555417     -1.425843
  N      -7.550919      3.694702     -0.412427
  C      -6.746989      4.789862     -0.408857
  C      -6.505809      1.589044      7.747073
  C      -7.116113      2.999125      7.901069
  C      -8.516850      3.077232      7.320419
  O      -8.376649      2.793136      5.912096
  C      -9.479685      2.626052      5.159168
  C     -10.783145      2.879160      5.553178
  C     -11.828437      2.660965      4.627384
  N     -11.673017      2.220764      3.389401
  C     -10.394517      1.956311      2.991356
  C     -10.162047      1.462003      1.682955
  C      -8.875728      1.184409      1.279319
  C      -7.814723      1.395196      2.182291
  N      -7.991240      1.848887      3.415140
  C      -9.255938      2.138660      3.832377
  H      -3.527499     -1.495149      4.465325
  H      -4.588714     -0.279553      3.733106
  H      -1.607181     -0.529113      3.018715
  H      -2.885045     -1.417094      2.191128
  H      -2.189739      0.663067      0.980028
  H      -2.741557      1.654305      2.347429
  H      -6.037214     -0.564687     -0.032764
  H      -6.841556      0.105946     -2.295532
  H      -4.463551      3.800206     -3.565092
  H      -2.657886      5.195993     -2.479248
  H      -1.822649      4.526537     -0.221057
  H      -3.241908      5.463268      4.331411
  H      -4.440154      5.686797      5.610783
  H      -5.545965      5.770149      3.529795
  H      -6.060129      4.246555      4.260888
  H      -4.513158      2.973213      2.797177
  H      -3.799752      4.467130      2.169319
  H      -4.285618      6.321172      1.422144
  H      -4.520253      7.923102     -0.425305
  H      -7.727969      6.331789     -3.296054
  H      -9.208474      4.281646     -3.303245
  H      -9.028559      2.665893     -1.408071
  H      -6.725987      0.980536      8.640969
  H      -6.974104      1.094919      6.888260
  H      -6.480972      3.719519      7.361442
  H      -7.149609      3.317229      8.953427
  H      -8.952159      4.080137      7.455919
  H      -9.193757      2.333294      7.773925
  H     -11.017964      3.249415      6.549933
  H     -12.856057      2.869829      4.941134
  H     -11.022883      1.316993      1.028483
  H      -8.658717      0.812148      0.278796
  H      -6.783748      1.189630      1.887320
  N      -5.665115      1.907001      4.794931
  H      -6.643592      1.900884      4.276800
100
Coordinates from ORCA-job orca E -6429.411953904791
  N      -3.138425      0.500128      5.033639
  Mo     -4.251509      1.960236      5.760342
  N      -5.051228      1.596254      7.529360
  C      -4.255048      1.649193      8.753858
  C      -2.822384      1.253780      8.443066
  N      -2.388516      1.954950      7.216008
  C      -1.314605      1.241921      6.490785
  C      -1.914608      0.080536      5.723549
  C      -2.066268      3.375718      7.455966
  C      -2.286224      4.165935      6.179884
  N      -3.564101      3.802584      5.545978
  H      -1.167568     -0.287787      5.001896
  H      -2.143753     -0.770866      6.393207
  H      -0.867023      1.951309      5.780918
  H      -0.521661      0.906695      7.181761
  H      -2.291711      5.239112      6.434485
  H      -1.456172      4.021981      5.463359
  H      -2.752962      3.747454      8.228674
  H      -1.034687      3.493352      7.832019
  H      -4.671248      0.951654      9.500923
  H      -4.301333      2.657587      9.208790
  H      -2.784726      0.174775      8.240417
  H      -2.144104      1.469818      9.286644
  C      -3.560439     -0.474685      4.014266
  C      -2.690540     -0.483814      2.748555
  C      -2.901277      0.702603      1.825406
  O      -4.267740      0.623078      1.337871
  C      -4.592985      1.003809      0.077174
  C      -5.614249      0.296782     -0.540139
  C      -6.054508      0.674742     -1.821165
  N      -5.563889      1.689283     -2.517409
  C      -4.568723      2.406168     -1.924344
  C      -4.044850      3.532089     -2.608770
  C      -3.063564      4.291013     -2.015018
  C      -2.602506      3.920209     -0.731057
  N      -3.054881      2.879690     -0.049966
  C      -4.026876      2.117055     -0.624568
  C      -4.104356      4.979174      4.837236
  C      -5.208330      4.768375      3.814337
  C      -4.733282      4.015950      2.579511
  O      -5.745064      3.979470      1.557320
  C      -5.779596      4.968220      0.643429
  C      -4.980603      6.102514      0.636451
  C      -5.090625      7.015767     -0.433760
  N      -5.910042      6.891708     -1.464697
  C      -6.721061      5.791949     -1.462845
  C      -7.620962      5.598680     -2.539409
  C      -8.440376      4.492002     -2.544489
  C      -8.360713      3.581572     -1.466843
  N      -7.534306      3.714535     -0.441964
  C      -6.716198      4.799192     -0.431632
  C      -6.498692      1.572821      7.762893
  C      -7.123914      2.974918      7.927676
  C      -8.529234      3.037912      7.356458
  O      -8.393647      2.769733      5.944543
  C      -9.498996      2.595107      5.196560
  C     -10.803738      2.821124      5.602879
  C     -11.851282      2.602988      4.679631
  N     -11.696720      2.187632      3.432938
  C     -10.416918      1.949069      3.022960
  C     -10.184733      1.483190      1.703963
  C      -8.896767      1.230494      1.288571
  C      -7.834052      1.436711      2.190699
  N      -8.010072      1.865668      3.432474
  C      -9.276209      2.132025      3.860941
  H      -3.537795     -1.482075      4.469224
  H      -4.600419     -0.267068      3.737562
  H      -1.621946     -0.522875      3.012656
  H      -2.904731     -1.409362      2.191307
  H      -2.206903      0.669209      0.976866
  H      -2.758170      1.661525      2.343784
  H      -6.060222     -0.556710     -0.027766
  H      -6.853103      0.098201     -2.299295
  H      -4.453938      3.770560     -3.591608
  H      -2.649593      5.170418     -2.509149
  H      -1.826916      4.518048     -0.241581
  H      -3.254027      5.468473      4.324866
  H      -4.453995      5.697962      5.601616
  H      -5.552714      5.771047      3.515404
  H      -6.073971      4.255514      4.258387
  H      -4.543417      2.961160      2.803162
  H      -3.802188      4.441494      2.175501
  H      -4.260503      6.306050      1.427068
  H      -4.448460      7.902937     -0.430109
  H      -7.635544      6.340651     -3.339367
  H      -9.142301      4.309769     -3.359134
  H      -9.010240      2.700278     -1.455142
  H      -6.707900      0.957208      8.654520
  H      -6.966240      1.078258      6.903891
  H      -6.501228      3.705043      7.386717
  H      -7.154054      3.287613      8.981721
  H      -8.978966      4.032702      7.504007
  H      -9.191917      2.279479      7.807056
  H     -11.037950      3.171318      6.606997
  H     -12.880038      2.790147      5.003208
  H     -11.046994      1.339379      1.050998
  H      -8.679990      0.879709      0.280397
  H      -6.802655      1.247711      1.886797
  N      -5.676365      1.915647      4.807618
  H      -6.656055      1.913871      4.293112
100
Coordinates from ORCA-job orca E -6429.411956824094
  N      -3.141633      0.513254      5.030549
  Mo     -4.257919      1.966740      5.765918
  N      -5.045165      1.591855      7.537895
  C      -4.243411      1.645065      8.758620
  C      -2.810022      1.259479      8.438751
  N      -2.387335      1.967546      7.211716
  C      -1.313261      1.263140      6.478401
  C      -1.910723      0.099905      5.711719
  C      -2.071912      3.389185      7.455244
  C      -2.300865      4.181799      6.182467
  N      -3.578660      3.812421      5.551649
  H      -1.166022     -0.261228      4.983851
  H      -2.129498     -0.755205      6.380326
  H      -0.873855      1.976903      5.767766
  H      -0.514411      0.930816      7.163939
  H      -2.312114      5.254298      6.439756
  H      -1.472727      4.044997      5.462488
  H      -2.757634      3.755047      8.231565
  H      -1.039560      3.511067      7.827686
  H      -4.651562      0.942240      9.505154
  H      -4.293168      2.651417      9.217654
  H      -2.766715      0.181443      8.232115
  H      -2.128333      1.477010      9.279179
  C      -3.566622     -0.465475      4.016294
  C      -2.704893     -0.476877      2.745414
  C      -2.915202      0.710285      1.823285
  O      -4.285288      0.639153      1.343617
  C      -4.607923      0.997698      0.075731
  C      -5.627176      0.280846     -0.533309
  C      -6.060917      0.636542     -1.822982
  N      -5.566634      1.638300     -2.534388
  C      -4.575185      2.366482     -1.948638
  C      -4.050217      3.482351     -2.648316
  C      -3.074760      4.253811     -2.061132
  C      -2.619784      3.905125     -0.768926
  N      -3.072902      2.873906     -0.073732
  C      -4.039671      2.099827     -0.641667
  C      -4.123912      4.985925      4.841994
  C      -5.222574      4.768758      3.814464
  C      -4.734883      4.022897      2.580540
  O      -5.734346      3.990419      1.545495
  C      -5.758466      4.981727      0.634004
  C      -4.966511      6.120826      0.643759
  C      -5.066032      7.038054     -0.424065
  N      -5.868358      6.912954     -1.468166
  C      -6.671099      5.807292     -1.484178
  C      -7.551736      5.611844     -2.576196
  C      -8.363060      4.499456     -2.598968
  C      -8.294586      3.585160     -1.523837
  N      -7.485524      3.719512     -0.485324
  C      -6.675935      4.810151     -0.457172
  C      -6.491128      1.548215      7.778088
  C      -7.133160      2.940078      7.961426
  C      -8.542079      2.990385      7.398256
  O      -8.409364      2.739744      5.982855
  C      -9.515833      2.570103      5.235630
  C     -10.820926      2.778091      5.650317
  C     -11.869842      2.571074      4.725780
  N     -11.715837      2.183865      3.469952
  C     -10.435339      1.963653      3.051327
  C     -10.203363      1.533169      1.720318
  C      -8.914567      1.300502      1.295551
  C      -7.851449      1.489547      2.200983
  N      -8.027036      1.887768      3.452874
  C      -9.293725      2.135254      3.890469
  H      -3.537274     -1.471363      4.473867
  H      -4.609182     -0.262643      3.745890
  H      -1.634599     -0.520860      3.002697
  H      -2.926491     -1.401724      2.189529
  H      -2.226078      0.672650      0.970773
  H      -2.763472      1.668535      2.340470
  H      -6.076014     -0.563452     -0.008678
  H      -6.856936      0.051523     -2.295148
  H      -4.454783      3.704068     -3.637048
  H      -2.660985      5.127062     -2.566552
  H      -1.849187      4.513452     -0.284635
  H      -3.275163      5.480291      4.331882
  H      -4.479985      5.702694      5.605266
  H      -5.572655      5.769572      3.515896
  H      -6.086763      4.249732      4.253990
  H      -4.545683      2.967094      2.800146
  H      -3.799592      4.451063      2.188836
  H      -4.259682      6.325684      1.445865
  H      -4.430179      7.929597     -0.406224
  H      -7.558871      6.357156     -3.373074
  H      -9.050059      4.315509     -3.425902
  H      -8.938972      2.700080     -1.526301
  H      -6.688615      0.920810      8.664132
  H      -6.956865      1.057291      6.916058
  H      -6.523160      3.683886      7.424997
  H      -7.161124      3.241275      9.018708
  H      -9.004468      3.977217      7.559964
  H      -9.192495      2.217719      7.842786
  H     -11.054773      3.106103      6.662022
  H     -12.899019      2.743566      5.056132
  H     -11.066082      1.401611      1.065296
  H      -8.696735      0.980079      0.277675
  H      -6.819922      1.315192      1.889654
  N      -5.688743      1.918318      4.821150
  H      -6.669873      1.919759      4.311534
100
Coordinates from ORCA-job orca E -6429.411969592096
  N      -3.137893      0.513185      5.032956
  Mo     -4.256195      1.966087      5.766201
  N      -5.042860      1.590118      7.538056
  C      -4.241386      1.645131      8.758833
  C      -2.807259      1.262158      8.439255
  N      -2.385659      1.970836      7.212171
  C      -1.310376      1.268086      6.479202
  C      -1.905493      0.103204      5.713226
  C      -2.072667      3.392970      7.455431
  C      -2.302948      4.185057      6.182518
  N      -3.579866      3.813085      5.551403
  H      -1.160637     -0.255993      4.984787
  H      -2.121635     -0.752374      6.381858
  H      -0.872224      1.982190      5.768201
  H      -0.510995      0.937514      7.164972
  H      -2.316694      5.257550      6.439799
  H      -1.474397      4.050116      5.462550
  H      -2.759113      3.757779      8.231653
  H      -1.040519      3.516696      7.827930
  H      -4.648284      0.941796      9.505540
  H      -4.292922      2.651525      9.217553
  H      -2.761982      0.184192      8.232786
  H      -2.126092      1.481039      9.279767
  C      -3.561494     -0.467102      4.019452
  C      -2.702105     -0.476182      2.747053
  C      -2.916740      0.711220      1.826406
  O      -4.288046      0.638465      1.350307
  C      -4.613612      0.994044      0.082317
  C      -5.630477      0.272066     -0.524651
  C      -6.064425      0.621723     -1.815954
  N      -5.573119      1.622821     -2.530516
  C      -4.585692      2.357427     -1.945978
  C      -4.065605      3.473885     -2.648318
  C      -3.095506      4.252695     -2.061828
  C      -2.640285      3.910060     -0.768091
  N      -3.088280      2.878070     -0.070736
  C      -4.050213      2.097176     -0.637620
  C      -4.126476      4.985666      4.840609
  C      -5.226636      4.768246      3.814489
  C      -4.741782      4.019845      2.580907
  O      -5.740691      3.992930      1.545328
  C      -5.756981      4.984418      0.634075
  C      -4.958022      6.118661      0.646596
  C      -5.048523      7.036742     -0.421258
  N      -5.848511      6.916967     -1.467696
  C      -6.657769      5.816164     -1.486613
  C      -7.536001      5.626667     -2.581679
  C      -8.353441      4.518853     -2.607964
  C      -8.293527      3.603247     -1.533381
  N      -7.487256      3.732205     -0.492042
  C      -6.671877      4.818510     -0.460246
  C      -6.488687      1.544043      7.777860
  C      -7.132757      2.934990      7.961777
  C      -8.540824      2.984888      7.396254
  O      -8.407136      2.735048      5.980798
  C      -9.513826      2.567788      5.233247
  C     -10.818330      2.778469      5.648098
  C     -11.867939      2.572301      4.724255
  N     -11.715291      2.183746      3.468783
  C     -10.435400      1.961597      3.049557
  C     -10.204757      1.529935      1.718743
  C      -8.916499      1.295581      1.293086
  C      -7.852600      1.483255      2.197841
  N      -8.027075      1.881902      3.449915
  C      -9.293063      2.132037      3.888036
  H      -3.528754     -1.472929      4.477350
  H      -4.605013     -0.267352      3.750735
  H      -1.631365     -0.518295      3.002032
  H      -2.922936     -1.400933      2.191044
  H      -2.229645      0.675322      0.972116
  H      -2.765270      1.669260      2.344025
  H      -6.076383     -0.572381      0.002263
  H      -6.857710      0.031959     -2.286813
  H      -4.469968      3.690490     -3.638231
  H      -2.685834      5.126795     -2.569055
  H      -1.873704      4.524020     -0.284462
  H      -3.278398      5.479515      4.328889
  H      -4.481595      5.703425      5.603387
  H      -5.575626      5.768953      3.514590
  H      -6.090948      4.251436      4.255886
  H      -4.557808      2.963137      2.800523
  H      -3.804101      4.443488      2.189952
  H      -4.252575      6.318949      1.451091
  H      -4.407164      7.924273     -0.401234
  H      -7.535961      6.372542     -3.378095
  H      -9.038798      4.339399     -3.437191
  H      -8.942585      2.721491     -1.539425
  H      -6.685712      0.916008      8.663621
  H      -6.953360      1.053002      6.915380
  H      -6.522567      3.680427      7.427720
  H      -7.162964      3.234575      9.019562
  H      -9.003829      3.971382      7.557738
  H      -9.191545      2.211909      7.839551
  H     -11.051289      3.107540      6.659633
  H     -12.896608      2.746617      5.055001
  H     -11.067833      1.399066      1.064230
  H      -8.699200      0.975510      0.275008
  H      -6.821461      1.307507      1.885592
  N      -5.686907      1.913570      4.821513
  H      -6.668043      1.913445      4.311699
100
Coordinates from ORCA-job orca E -6429.411977624753
  N      -3.133374      0.517945      5.032684
  Mo     -4.255071      1.967136      5.768106
  N      -5.040003      1.584514      7.539179
  C      -4.238163      1.638229      8.759760
  C      -2.802954      1.260832      8.438396
  N      -2.384255      1.974599      7.213213
  C      -1.306797      1.277650      6.477920
  C      -1.897929      0.112096      5.709822
  C      -2.076069      3.397084      7.460513
  C      -2.308985      4.191835      6.189803
  N      -3.584452      3.816852      5.557615
  H      -1.152690     -0.241959      4.979297
  H      -2.109218     -0.746151      6.376532
  H      -0.871661      1.994910      5.768268
  H      -0.505866      0.948501      7.162579
  H      -2.326648      5.263600      6.449864
  H      -1.479916      4.061737      5.469505
  H      -2.763789      3.757276      8.237750
  H      -1.044347      3.523254      7.833380
  H      -4.642550      0.931354      9.504478
  H      -4.292477      2.643049      9.221614
  H      -2.754264      0.183673      8.228627
  H      -2.122072      1.479404      9.279222
  C      -3.555469     -0.463872      4.019898
  C      -2.699909     -0.468146      2.744915
  C      -2.925254      0.717133      1.824110
  O      -4.297424      0.634924      1.352282
  C      -4.625992      0.979546      0.082025
  C      -5.634817      0.243859     -0.521747
  C      -6.069571      0.580740     -1.816307
  N      -5.586643      1.582020     -2.536426
  C      -4.608839      2.331190     -1.954099
  C      -4.100389      3.449754     -2.661483
  C      -3.142619      4.244547     -2.076076
  C      -2.686860      3.914697     -0.779144
  N      -3.122943      2.880424     -0.077730
  C      -4.073678      2.084812     -0.642945
  C      -4.134443      4.988335      4.847744
  C      -5.233809      4.768072      3.821135
  C      -4.746561      4.020033      2.588089
  O      -5.742623      3.995628      1.550035
  C      -5.752833      4.988576      0.640552
  C      -4.955204      6.123723      0.663028
  C      -5.035703      7.043347     -0.404119
  N      -5.824674      6.924233     -1.458856
  C      -6.632645      5.822803     -1.487765
  C      -7.498285      5.633990     -2.592978
  C      -8.313476      4.524962     -2.630392
  C      -8.264233      3.607540     -1.556768
  N      -7.470007      3.735885     -0.506036
  C      -6.656806      4.823600     -0.463152
  C      -6.485449      1.532835      7.779488
  C      -7.132969      2.921342      7.970531
  C      -8.540473      2.971531      7.403901
  O      -8.405002      2.727642      5.987573
  C      -9.510799      2.567702      5.237243
  C     -10.815296      2.780882      5.650554
  C     -11.863844      2.582558      4.723883
  N     -11.710257      2.200021      3.466764
  C     -10.430315      1.976714      3.048454
  C     -10.198439      1.553074      1.715415
  C      -8.909975      1.319081      1.290115
  C      -7.847104      1.498089      2.197781
  N      -8.022963      1.887703      3.452587
  C      -9.288989      2.138667      3.890045
  H      -3.515804     -1.469770      4.477342
  H      -4.600994     -0.269852      3.754749
  H      -1.628140     -0.503612      2.996478
  H      -2.916860     -1.394494      2.190150
  H      -2.240576      0.685057      0.967637
  H      -2.778643      1.676626      2.340443
  H      -6.073363     -0.601650      0.009732
  H      -6.855788     -0.020166     -2.284927
  H      -4.504459      3.655809     -3.653730
  H      -2.743186      5.121458     -2.586432
  H      -1.930284      4.541511     -0.296318
  H      -3.287790      5.485057      4.336378
  H      -4.491837      5.704596      5.610891
  H      -5.584705      5.767872      3.520466
  H      -6.097215      4.249718      4.262450
  H      -4.564220      2.962958      2.807078
  H      -3.807408      4.443416      2.200290
  H      -4.258367      6.323512      1.475132
  H      -4.395360      7.931407     -0.376213
  H      -7.489994      6.381030     -3.388288
  H      -8.989143      4.345803     -3.467594
  H      -8.911488      2.724621     -1.572571
  H      -6.680453      0.900173      8.662393
  H      -6.949042      1.044764      6.914820
  H      -6.523861      3.671322      7.441581
  H      -7.164989      3.214857      9.030008
  H      -9.004704      3.956879      7.568714
  H      -9.190927      2.196194      7.843392
  H     -11.049081      3.105665      6.663253
  H     -12.892542      2.758153      5.053843
  H     -11.060656      1.428213      1.058615
  H      -8.691066      1.006383      0.270085
  H      -6.815769      1.321981      1.885997
  N      -5.685838      1.911921      4.823528
  H      -6.667150      1.911102      4.313871
100
Coordinates from ORCA-job orca E -6429.411971229335
  N      -3.118396      0.532594      5.033395
  Mo     -4.250661      1.970084      5.774485
  N      -5.031650      1.567142      7.542413
  C      -4.229462      1.617128      8.762999
  C      -2.790727      1.256739      8.437198
  N      -2.380168      1.986207      7.218319
  C      -1.295712      1.307427      6.476402
  C      -1.873623      0.139900      5.700920
  C      -2.087298      3.409618      7.478321
  C      -2.327285      4.212569      6.214256
  N      -3.597003      3.827699      5.576760
  H      -1.126852     -0.196724      4.963707
  H      -2.068925     -0.727412      6.360747
  H      -0.869892      2.034487      5.771085
  H      -0.490049      0.982844      7.157702
  H      -2.357977      5.281883      6.483160
  H      -1.495727      4.098524      5.494010
  H      -2.779961      3.755536      8.257620
  H      -1.057466      3.543572      7.853703
  H      -4.626626      0.899694      9.501445
  H      -4.292650      2.617150      9.234068
  H      -2.731594      0.182203      8.217145
  H      -2.111262      1.474152      9.279475
  C      -3.536765     -0.453115      4.022969
  C      -2.693565     -0.445978      2.740024
  C      -2.945850      0.734993      1.820571
  O      -4.322090      0.633468      1.365583
  C      -4.661149      0.941653      0.088536
  C      -5.653801      0.170474     -0.497066
  C      -6.092571      0.465222     -1.800808
  N      -5.629074      1.458091     -2.544896
  C      -4.671959      2.245339     -1.978110
  C      -4.191125      3.360343     -2.709562
  C      -3.261007      4.196861     -2.137448
  C      -2.801720      3.909406     -0.831637
  N      -3.209100      2.877706     -0.109396
  C      -4.135445      2.043952     -0.659923
  C      -4.156808      4.996289      4.870044
  C      -5.249141      4.768852      3.837176
  C      -4.749941      4.028138      2.604012
  O      -5.735076      4.011744      1.555872
  C      -5.733554      5.012740      0.655592
  C      -4.947437      6.155249      0.708306
  C      -5.009591      7.083726     -0.352258
  N      -5.769991      6.966424     -1.427954
  C      -6.566546      5.858050     -1.486860
  C      -7.399756      5.670197     -2.617062
  C      -8.200687      4.552474     -2.686695
  C      -8.170789      3.625848     -1.620054
  N      -7.407583      3.753445     -0.546603
  C      -6.608056      4.849690     -0.471927
  C      -6.476271      1.498591      7.782539
  C      -7.135406      2.879251      7.992287
  C      -8.541181      2.928808      7.421189
  O      -8.401499      2.700798      6.002525
  C      -9.505947      2.561276      5.246016
  C     -10.810067      2.779231      5.658248
  C     -11.857179      2.604791      4.725249
  N     -11.702774      2.242405      3.462382
  C     -10.423373      2.016207      3.043985
  C     -10.190552      1.616596      1.703819
  C      -8.902618      1.380769      1.277473
  C      -7.841472      1.531930      2.192141
  N      -8.018538      1.897618      3.454314
  C      -9.283490      2.152718      3.892326
  H      -3.479120     -1.458921      4.479084
  H      -4.587306     -0.273092      3.768089
  H      -1.618808     -0.467266      2.980129
  H      -2.904195     -1.375442      2.188059
  H      -2.270592      0.710532      0.956187
  H      -2.806621      1.697660      2.333022
  H      -6.075262     -0.670834      0.054559
  H      -6.863763     -0.164794     -2.255987
  H      -4.595696      3.532178     -3.708061
  H      -2.886082      5.074377     -2.664833
  H      -2.066670      4.569272     -0.359889
  H      -3.313449      5.504691      4.364593
  H      -4.525243      5.705309      5.634716
  H      -5.607153      5.766303      3.537378
  H      -6.110406      4.242427      4.273086
  H      -4.570327      2.969485      2.817569
  H      -3.806897      4.454267      2.228241
  H      -4.274131      6.354363      1.540166
  H      -4.378545      7.977348     -0.300228
  H      -7.377114      6.424065     -3.405649
  H      -8.850915      4.373040     -3.543745
  H      -8.806284      2.735509     -1.663062
  H      -6.665525      0.853034      8.657334
  H      -6.935767      1.018124      6.911640
  H      -6.529430      3.642408      7.478796
  H      -7.174334      3.155278      9.056264
  H      -9.009768      3.910522      7.595151
  H      -9.190185      2.146516      7.850360
  H     -11.044477      3.089648      6.675260
  H     -12.885479      2.782850      5.055135
  H     -11.051590      1.510925      1.042127
  H      -8.681338      1.087661      0.252201
  H      -6.810734      1.351276      1.880882
  N      -5.681184      1.907261      4.829723
  H      -6.662931      1.904866      4.320947
100
Coordinates from ORCA-job orca E -6429.411993885447
  N      -3.124459      0.523621      5.033888
  Mo     -4.252350      1.966697      5.770937
  N      -5.035625      1.574112      7.540438
  C      -4.233645      1.626859      8.761048
  C      -2.796342      1.258911      8.437699
  N      -2.382072      1.980585      7.215541
  C      -1.300441      1.293480      6.477227
  C      -1.883552      0.126088      5.705683
  C      -2.082799      3.403877      7.468813
  C      -2.319714      4.202318      6.201158
  N      -3.591516      3.820758      5.565811
  H      -1.137219     -0.217946      4.971436
  H      -2.085207     -0.737183      6.368891
  H      -0.870739      2.015884      5.769461
  H      -0.496735      0.967709      7.160268
  H      -2.345347      5.272880      6.465644
  H      -1.488873      4.081368      5.481145
  H      -2.773637      3.756488      8.246788
  H      -1.052244      3.534985      7.843287
  H      -4.633969      0.914584      9.502794
  H      -4.293266      2.629392      9.227184
  H      -2.741716      0.183037      8.222983
  H      -2.116410      1.477509      9.279281
  C      -3.544075     -0.460321      4.022449
  C      -2.694152     -0.459077      2.743742
  C      -2.931153      0.725439      1.824644
  O      -4.306528      0.638475      1.364027
  C      -4.641036      0.963106      0.089826
  C      -5.645451      0.211807     -0.501644
  C      -6.083963      0.527105     -1.800600
  N      -5.608922      1.521627     -2.535211
  C      -4.637275      2.287420     -1.963859
  C      -4.139453      3.400885     -2.686332
  C      -3.190823      4.213926     -2.110793
  C      -2.731935      3.905994     -0.809605
  N      -3.156372      2.875793     -0.095099
  C      -4.099498      2.063847     -0.649791
  C      -4.147984      4.990612      4.858260
  C      -5.243800      4.766857      3.828584
  C      -4.751740      4.023754      2.594212
  O      -5.743056      4.005401      1.551743
  C      -5.747057      5.002970      0.647403
  C      -4.955093      6.141928      0.685359
  C      -5.026883      7.066666     -0.378050
  N      -5.802188      6.949033     -1.443169
  C      -6.604844      5.844265     -1.487024
  C      -7.454956      5.656145     -2.604493
  C      -8.262929      4.542430     -2.658127
  C      -8.223015      3.620244     -1.588020
  N      -7.443981      3.748267     -0.526150
  C      -6.637159      4.840005     -0.467618
  C      -6.480634      1.514386      7.781018
  C      -7.133736      2.899288      7.980682
  C      -8.540298      2.949290      7.411532
  O      -8.402883      2.711297      5.994380
  C      -9.508209      2.563363      5.240707
  C     -10.812426      2.779711      5.653640
  C     -11.860390      2.595371      4.723458
  N     -11.706649      2.224179      3.462990
  C     -10.427164      1.998256      3.044582
  C     -10.195265      1.587351      1.707588
  C      -8.907433      1.350645      1.281766
  C      -7.845277      1.513318      2.193364
  N      -8.021247      1.890547      3.452174
  C      -9.286445      2.145301      3.889889
  H      -3.496005     -1.466129      4.479346
  H      -4.591884     -0.272764      3.761812
  H      -1.620881     -0.489378      2.989641
  H      -2.909500     -1.386198      2.189535
  H      -2.252689      0.695730      0.963083
  H      -2.784545      1.685940      2.339219
  H      -6.077333     -0.629165      0.042397
  H      -6.865744     -0.086522     -2.260064
  H      -4.544614      3.589397     -3.681561
  H      -2.800943      5.088588     -2.632076
  H      -1.982116      4.547064     -0.335138
  H      -3.303558      5.494813      4.350417
  H      -4.511811      5.702067      5.622874
  H      -5.599001      5.765584      3.529506
  H      -6.105793      4.243592      4.267037
  H      -4.572063      2.965417      2.809167
  H      -3.810553      4.448026      2.212060
  H      -4.269759      6.340948      1.507353
  H      -4.391179      7.957569     -0.337806
  H      -7.439978      6.406842     -3.396286
  H      -8.926201      4.363044     -3.505124
  H      -8.863866      2.733073     -1.617391
  H      -6.672465      0.875771      8.660332
  H      -6.942528      1.029625      6.913707
  H      -6.525748      3.655617      7.459409
  H      -7.169638      3.184353      9.042401
  H      -9.006024      3.933411      7.579698
  H      -9.190543      2.171444      7.846914
  H     -11.046266      3.096402      6.668857
  H     -12.888804      2.772728      5.053509
  H     -11.057094      1.473572      1.048239
  H      -8.687717      1.047495      0.259049
  H      -6.814538      1.332932      1.882240
  N      -5.682443      1.906888      4.825550
  H      -6.663755      1.905439      4.315753
100
Coordinates from ORCA-job orca E -6429.412001167790
  N      -3.121676      0.527634      5.032546
  Mo     -4.255264      1.964404      5.773493
  N      -5.031965      1.565835      7.544416
  C      -4.227293      1.620804      8.763094
  C      -2.788955      1.260919      8.435601
  N      -2.381652      1.986427      7.213337
  C      -1.298119      1.306030      6.471692
  C      -1.876763      0.136337      5.700437
  C      -2.089076      3.410871      7.467813
  C      -2.332394      4.209443      6.201431
  N      -3.602908      3.821443      5.567247
  H      -1.130696     -0.202521      4.963574
  H      -2.071501     -0.728853      6.363171
  H      -0.874013      2.031593      5.763783
  H      -0.491003      0.983930      7.152441
  H      -2.363973      5.279544      6.467222
  H      -1.501952      4.094313      5.479953
  H      -2.780234      3.759105      8.247496
  H      -1.058478      3.546743      7.840519
  H      -4.622045      0.905265      9.504687
  H      -4.291019      2.622251      9.230961
  H      -2.729228      0.185641      8.219266
  H      -2.107932      1.482042      9.275625
  C      -3.538995     -0.458259      4.022084
  C      -2.691716     -0.453181      2.741676
  C      -2.931052      0.733979      1.826489
  O      -4.309967      0.653419      1.374605
  C      -4.646014      0.962751      0.096840
  C      -5.647269      0.201937     -0.487561
  C      -6.086801      0.504059     -1.789515
  N      -5.615784      1.494078     -2.532672
  C      -4.647072      2.268895     -1.968232
  C      -4.153330      3.377986     -2.700079
  C      -3.208806      4.200238     -2.130693
  C      -2.749875      3.905964     -0.826377
  N      -3.170193      2.879924     -0.103352
  C      -4.108947      2.059032     -0.652291
  C      -4.165626      4.988924      4.860500
  C      -5.260031      4.760836      3.830285
  C      -4.764437      4.021526      2.594910
  O      -5.750171      4.010691      1.546789
  C      -5.741101      5.007052      0.641203
  C      -4.944860      6.142838      0.685116
  C      -5.002431      7.066300     -0.380296
  N      -5.767777      6.950240     -1.452863
  C      -6.574328      5.848537     -1.502851
  C      -7.414216      5.661742     -2.628338
  C      -8.225970      4.550947     -2.688154
  C      -8.200021      3.630214     -1.616323
  N      -7.430847      3.757067     -0.547219
  C      -6.620669      4.845977     -0.482338
  C      -6.475913      1.497682      7.789032
  C      -7.135695      2.878315      7.995903
  C      -8.543810      2.923450      7.430435
  O      -8.407930      2.691683      6.012210
  C      -9.513735      2.552932      5.257633
  C     -10.817670      2.764998      5.673519
  C     -11.865912      2.592663      4.741257
  N     -11.712551      2.237202      3.476215
  C     -10.433209      2.015218      3.055015
  C     -10.201565      1.622447      1.712526
  C      -8.913893      1.390329      1.283826
  C      -7.851845      1.538756      2.198015
  N      -8.027272      1.900269      3.461433
  C      -9.292405      2.150403      3.902089
  H      -3.485738     -1.463782      4.478951
  H      -4.588076     -0.275316      3.763357
  H      -1.617834     -0.484036      2.984959
  H      -2.908256     -1.378900      2.185603
  H      -2.258237      0.703984      0.960618
  H      -2.778237      1.692895      2.342419
  H      -6.075834     -0.635866      0.063841
  H      -6.865818     -0.116899     -2.243816
  H      -4.558247      3.555987     -3.697360
  H      -2.822289      5.072184     -2.659076
  H      -2.004376      4.555232     -0.356331
  H      -3.323963      5.498180      4.353127
  H      -4.533406      5.697769      5.625658
  H      -5.619174      5.758440      3.532161
  H      -6.120101      4.233752      4.267754
  H      -4.588950      2.961734      2.806004
  H      -3.820090      4.444515      2.219241
  H      -4.266388      6.340300      1.513154
  H      -4.363780      7.954827     -0.334897
  H      -7.389082      6.411329     -3.420917
  H      -8.881567      4.372790     -3.541344
  H      -8.844198      2.745497     -1.650452
  H      -6.661783      0.854832      8.666536
  H      -6.937796      1.013839      6.921213
  H      -6.533154      3.639715      7.475666
  H      -7.169984      3.159268      9.058764
  H      -9.013903      3.904599      7.603656
  H      -9.189311      2.140650      7.863994
  H     -11.051273      3.069507      6.692501
  H     -12.894144      2.766714      5.073602
  H     -11.063228      1.519223      1.051285
  H      -8.693734      1.102094      0.256956
  H      -6.821441      1.361945      1.884040
  N      -5.687354      1.899938      4.830889
  H      -6.668232      1.899931      4.321479
100
Coordinates from ORCA-job orca E -6429.412014438291
  N      -3.111649      0.532037      5.033742
  Mo     -4.253835      1.960716      5.776608
  N      -5.026786      1.552313      7.546863
  C      -4.221351      1.608701      8.765084
  C      -2.780548      1.260948      8.435211
  N      -2.379886      1.993462      7.214894
  C      -1.291872      1.323727      6.470236
  C      -1.861652      0.150649      5.697539
  C      -2.098120      3.419305      7.473368
  C      -2.347603      4.219575      6.209298
  N      -3.614177      3.822545      5.572933
  H      -1.114091     -0.179520      4.958194
  H      -2.046731     -0.718038      6.358575
  H      -0.875028      2.054269      5.763093
  H      -0.480942      1.007177      7.149066
  H      -2.388548      5.288534      6.478513
  H      -1.515769      4.114225      5.487920
  H      -2.792033      3.759858      8.253995
  H      -1.068642      3.562053      7.846592
  H      -4.610115      0.887433      9.504308
  H      -4.292272      2.607906      9.236696
  H      -2.712626      0.186872      8.215399
  H      -2.100489      1.484663      9.275317
  C      -3.524108     -0.455824      4.023591
  C      -2.681023     -0.442462      2.740542
  C      -2.932650      0.745731      1.829826
  O      -4.315259      0.661975      1.390317
  C      -4.658356      0.950397      0.109290
  C      -5.656422      0.174909     -0.460807
  C      -6.102462      0.456768     -1.765327
  N      -5.640214      1.439776     -2.523091
  C      -4.674812      2.228847     -1.972437
  C      -4.190518      3.331005     -2.720626
  C      -3.250770      4.167859     -2.164467
  C      -2.786760      3.894859     -0.857325
  N      -3.197421      2.875252     -0.119576
  C      -4.131607      2.040609     -0.655515
  C      -4.185263      4.987294      4.868436
  C      -5.276338      4.754492      3.835865
  C      -4.776210      4.022031      2.597837
  O      -5.757044      4.020541      1.544963
  C      -5.736986      5.019618      0.642640
  C      -4.941630      6.155578      0.700091
  C      -4.985715      7.082172     -0.363202
  N      -5.736964      6.969058     -1.446182
  C      -6.542683      5.867411     -1.509493
  C      -7.367330      5.683074     -2.646713
  C      -8.177013      4.571619     -2.720717
  C      -8.164761      3.647851     -1.651123
  N      -7.410442      3.772666     -0.571375
  C      -6.602075      4.862065     -0.492477
  C      -6.470072      1.475585      7.792865
  C      -7.136058      2.852113      8.007317
  C      -8.543946      2.895204      7.441160
  O      -8.406936      2.669719      6.021963
  C      -9.512511      2.544721      5.264613
  C     -10.815905      2.758751      5.681576
  C     -11.863805      2.604145      4.745871
  N     -11.710616      2.264752      3.476390
  C     -10.431994      2.040650      3.054050
  C     -10.200795      1.665940      1.706286
  C      -8.913996      1.432142      1.275916
  C      -7.852694      1.559742      2.194117
  N      -8.027457      1.904389      3.462431
  C      -9.291613      2.157088      3.904597
  H      -3.461952     -1.461414      4.479081
  H      -4.575148     -0.280199      3.768061
  H      -1.605984     -0.467105      2.979632
  H      -2.894212     -1.368079      2.182861
  H      -2.266886      0.720333      0.958456
  H      -2.779748      1.704279      2.346541
  H      -6.077636     -0.657927      0.103564
  H      -6.878821     -0.175302     -2.208704
  H      -4.598727      3.492750     -3.719340
  H      -2.872098      5.035666     -2.705193
  H      -2.045496      4.556346     -0.397878
  H      -3.346827      5.505123      4.364404
  H      -4.560150      5.690745      5.635185
  H      -5.641284      5.750863      3.540529
  H      -6.133780      4.220934      4.270553
  H      -4.604601      2.960420      2.803074
  H      -3.829481      4.445777      2.228879
  H      -4.274283      6.350836      1.537659
  H      -4.348069      7.970774     -0.306845
  H      -7.332337      6.434960     -3.436735
  H      -8.820844      4.395142     -3.583182
  H      -8.806950      2.762306     -1.696553
  H      -6.651517      0.827293      8.667244
  H      -6.930628      0.993956      6.923114
  H      -6.536121      3.618886      7.492070
  H      -7.172496      3.126659      9.071751
  H      -9.016503      3.874559      7.618040
  H      -9.187750      2.109085      7.871289
  H     -11.049157      3.051738      6.704004
  H     -12.891524      2.779528      5.079195
  H     -11.062176      1.577929      1.042435
  H      -8.693429      1.157873      0.245393
  H      -6.823220      1.380363      1.879165
  N      -5.686011      1.890612      4.834478
  H      -6.666988      1.890903      4.325722
100
Coordinates from ORCA-job orca E -6429.412020708776
  N      -3.104457      0.532314      5.035215
  Mo     -4.251814      1.957147      5.777012
  N      -5.024895      1.544765      7.546442
  C      -4.220346      1.602166      8.765289
  C      -2.777947      1.260572      8.436113
  N      -2.379114      1.995898      7.216945
  C      -1.288276      1.330929      6.472230
  C      -1.853205      0.155718      5.699255
  C      -2.102992      3.422501      7.476875
  C      -2.354516      4.222960      6.213362
  N      -3.618741      3.821455      5.575204
  H      -1.103957     -0.171536      4.960255
  H      -2.035106     -0.713763      6.360206
  H      -0.874554      2.063389      5.765223
  H      -0.476023      1.017644      7.151003
  H      -2.400001      5.291422      6.483832
  H      -1.521509      4.121904      5.492796
  H      -2.798896      3.759609      8.257206
  H      -1.074401      3.568905      7.851086
  H      -4.606832      0.878085      9.502996
  H      -4.295634      2.600304      9.238546
  H      -2.705382      0.186998      8.215333
  H      -2.099546      1.486076      9.277084
  C      -3.512778     -0.456239      4.024277
  C      -2.670658     -0.436559      2.740691
  C      -2.930358      0.752342      1.833122
  O      -4.314724      0.665383      1.400084
  C      -4.663528      0.945118      0.118542
  C      -5.663444      0.165155     -0.442012
  C      -6.116219      0.439045     -1.745979
  N      -5.657888      1.417514     -2.511893
  C      -4.690063      2.210388     -1.970944
  C      -4.208779      3.307140     -2.728820
  C      -3.266710      4.147793     -2.182316
  C      -2.798199      3.884702     -0.874766
  N      -3.205957      2.870279     -0.128178
  C      -4.141350      2.031295     -0.655098
  C      -4.194235      4.985345      4.872845
  C      -5.283553      4.750904      3.839068
  C      -4.781171      4.022829      2.599096
  O      -5.760698      4.025936      1.544831
  C      -5.736451      5.026298      0.644117
  C      -4.940994      6.161933      0.707219
  C      -4.979947      7.090379     -0.354558
  N      -5.726556      6.979752     -1.441058
  C      -6.532851      5.878817     -1.509659
  C      -7.353103      5.697319     -2.650518
  C      -8.163096      4.586558     -2.730177
  C      -8.155817      3.660557     -1.662412
  N      -7.405814      3.782813     -0.579360
  C      -6.596960      4.871549     -0.494900
  C      -6.468171      1.466537      7.791981
  C      -7.135126      2.842410      8.007561
  C      -8.542475      2.885817      7.440126
  O      -8.404630      2.660939      6.020887
  C      -9.509987      2.542097      5.262220
  C     -10.813037      2.758295      5.679325
  C     -11.860769      2.610982      4.742327
  N     -11.707734      2.276754      3.471452
  C     -10.429571      2.050342      3.049027
  C     -10.198868      1.680653      1.699774
  C      -8.912641      1.444315      1.269066
  C      -7.851616      1.564577      2.188582
  N      -8.025676      1.904067      3.458425
  C      -9.289298      2.159268      3.900840
  H      -3.445861     -1.462136      4.478350
  H      -4.564645     -0.284787      3.769427
  H      -1.595307     -0.455546      2.978922
  H      -2.879421     -1.362157      2.181275
  H      -2.268218      0.731040      0.959007
  H      -2.778911      1.710441      2.351087
  H      -6.081142     -0.664472      0.129577
  H      -6.894469     -0.195941     -2.181766
  H      -4.620833      3.462078     -3.727044
  H      -2.889886      5.011585     -2.730743
  H      -2.055659      4.549817     -0.422800
  H      -3.357413      5.508003      4.371186
  H      -4.572848      5.685295      5.641020
  H      -5.651847      5.746695      3.545879
  H      -6.139369      4.213351      4.271895
  H      -4.610843      2.960340      2.800966
  H      -3.833897      4.447888      2.233025
  H      -4.277521      6.355277      1.548322
  H      -4.341975      7.978465     -0.293958
  H      -7.314585      6.450844     -3.438807
  H      -8.803680      4.412303     -3.595523
  H      -8.797824      2.775177     -1.712177
  H      -6.649052      0.817017      8.665560
  H      -6.928124      0.985338      6.921634
  H      -6.534747      3.609958      7.494095
  H      -7.173122      3.115481      9.072275
  H      -9.014853      3.865299      7.616860
  H      -9.186818      2.099808      7.869665
  H     -11.046020      3.047470      6.702895
  H     -12.888163      2.787991      5.075799
  H     -11.060270      1.598467      1.035171
  H      -8.692306      1.173591      0.237589
  H      -6.822653      1.383202      1.873335
  N      -5.683077      1.885383      4.833897
  H      -6.663825      1.886711      4.325254
100
Coordinates from ORCA-job orca E -6429.412023496203
  N      -3.101372      0.533385      5.034574
  Mo     -4.252147      1.955260      5.776455
  N      -5.023489      1.540179      7.546169
  C      -4.218720      1.598692      8.764821
  C      -2.775478      1.261549      8.435152
  N      -2.378981      1.998542      7.216280
  C      -1.286788      1.336655      6.470921
  C      -1.849083      0.159906      5.698420
  C      -2.106625      3.425712      7.476639
  C      -2.360475      4.225891      6.213423
  N      -3.623673      3.821186      5.575225
  H      -1.099211     -0.165699      4.959292
  H      -2.028665     -0.709897      6.359567
  H      -0.875669      2.070159      5.763472
  H      -0.473158      1.025662      7.149105
  H      -2.408835      5.294099      6.484336
  H      -1.527334      4.127409      5.492694
  H      -2.803372      3.760765      8.257092
  H      -1.078385      3.574762      7.850745
  H      -4.602959      0.872815      9.501944
  H      -4.296813      2.596188      9.239001
  H      -2.699646      0.188286      8.213995
  H      -2.097659      1.488663      9.276167
  C      -3.507368     -0.456483      4.023983
  C      -2.666024     -0.433449      2.739979
  C      -2.929058      0.756273      1.834471
  O      -4.314469      0.669404      1.404855
  C      -4.665440      0.944388      0.122885
  C      -5.666494      0.162781     -0.433236
  C      -6.120847      0.431900     -1.737702
  N      -5.662874      1.406996     -2.508079
  C      -4.694072      2.201631     -1.971494
  C      -4.213001      3.294995     -2.734291
  C      -3.270066      4.137500     -2.192053
  C      -2.800893      3.880006     -0.883670
  N      -3.208539      2.868817     -0.132595
  C      -4.144144      2.027708     -0.655494
  C      -4.202668      4.984280      4.874196
  C      -5.290717      4.747968      3.839646
  C      -4.785729      4.021200      2.599924
  O      -5.762851      4.026657      1.543254
  C      -5.734669      5.027185      0.642945
  C      -4.938307      6.161992      0.709347
  C      -4.972789      7.091092     -0.351953
  N      -5.716036      6.981952     -1.440861
  C      -6.523308      5.881938     -1.512759
  C      -7.340005      5.702142     -2.656393
  C      -8.150862      4.592303     -2.739611
  C      -8.148157      3.665493     -1.672542
  N      -7.401542      3.786161     -0.586881
  C      -6.591788      4.874001     -0.498929
  C      -6.466399      1.459763      7.792751
  C      -7.134790      2.834490      8.010879
  C      -8.542506      2.877113      7.444489
  O      -8.405465      2.654528      6.024915
  C      -9.511273      2.539295      5.266400
  C     -10.813926      2.754116      5.685314
  C     -11.862384      2.611102      4.748489
  N     -11.710304      2.282287      3.476107
  C     -10.432478      2.057406      3.051841
  C     -10.202937      1.693675      1.700811
  C      -8.917070      1.458950      1.268084
  C      -7.855362      1.575105      2.187363
  N      -8.028198      1.908837      3.458909
  C      -9.291533      2.162266      3.903304
  H      -3.437164     -1.462239      4.477854
  H      -4.559885     -0.288154      3.769681
  H      -1.590538     -0.449997      2.977742
  H      -2.872764     -1.358742      2.179350
  H      -2.269038      0.736847      0.958793
  H      -2.777201      1.713693      2.353598
  H      -6.083701     -0.664454      0.142148
  H      -6.900044     -0.204292     -2.170037
  H      -4.625889      3.446156     -3.732755
  H      -2.893053      4.998672     -2.744475
  H      -2.057958      4.546805     -0.434911
  H      -3.367161      5.509994      4.373582
  H      -4.583628      5.682219      5.643058
  H      -5.660912      5.743035      3.546349
  H      -6.145826      4.208593      4.271533
  H      -4.616827      2.958290      2.800620
  H      -3.837227      4.445952      2.236692
  H      -4.277436      6.353957      1.552814
  H      -4.334020      7.978441     -0.288827
  H      -7.298113      6.456194     -3.444011
  H      -8.788834      4.419418     -3.607168
  H      -8.790793      2.780721     -1.725107
  H      -6.645705      0.808890      8.665665
  H      -6.926437      0.978992      6.922197
  H      -6.535539      3.603539      7.498342
  H      -7.172513      3.105719      9.076078
  H      -9.016011      3.855713      7.623069
  H      -9.185519      2.089674      7.873434
  H     -11.046107      3.038840      6.710307
  H     -12.889504      2.786862      5.083438
  H     -11.064908      1.614799      1.036542
  H      -8.697619      1.192887      0.235223
  H      -6.826757      1.395028      1.870236
  N      -5.683777      1.882562      4.834030
  H      -6.664542      1.885592      4.326325
100
Coordinates from ORCA-job orca E -6429.412025819371
  N      -3.098771      0.533766      5.033571
  Mo     -4.252441      1.953513      5.774841
  N      -5.022517      1.537529      7.545057
  C      -4.217822      1.597014      8.763672
  C      -2.773937      1.262975      8.434004
  N      -2.378977      2.000555      7.215079
  C      -1.285656      1.340477      6.469737
  C      -1.846222      0.162317      5.698156
  C      -2.109325      3.428165      7.475283
  C      -2.364648      4.227475      6.211904
  N      -3.627562      3.820717      5.574301
  H      -1.095795     -0.163204      4.959485
  H      -2.024976     -0.707054      6.360068
  H      -0.876344      2.074285      5.761560
  H      -0.471144      1.031459      7.147764
  H      -2.414337      5.295690      6.482350
  H      -1.531716      4.129619      5.490909
  H      -2.806743      3.762155      8.255567
  H      -1.081351      3.579185      7.849304
  H      -4.600588      0.869924      9.500363
  H      -4.298044      2.594099      9.238377
  H      -2.695580      0.189833      8.213225
  H      -2.096689      1.491727      9.275048
  C      -3.502883     -0.457685      4.023717
  C      -2.662166     -0.432464      2.739412
  C      -2.927352      0.757903      1.835418
  O      -4.313566      0.671350      1.408503
  C      -4.666886      0.943791      0.126801
  C      -5.670228      0.162483     -0.425586
  C      -6.126261      0.428845     -1.730048
  N      -5.667954      1.400974     -2.503889
  C      -4.697363      2.195812     -1.970883
  C      -4.216233      3.286692     -2.737115
  C      -3.271750      4.129701     -2.198277
  C      -2.801297      3.875382     -0.889768
  N      -3.209114      2.866499     -0.135629
  C      -4.145714      2.024692     -0.655220
  C      -4.209808      4.983841      4.875895
  C      -5.296559      4.746830      3.840186
  C      -4.788248      4.022281      2.600601
  O      -5.762996      4.029080      1.541692
  C      -5.731770      5.029567      0.641556
  C      -4.934224      6.163392      0.710026
  C      -4.964693      7.092419     -0.351417
  N      -5.705322      6.984046     -1.442120
  C      -6.514031      5.885214     -1.515923
  C      -7.328030      5.706560     -2.661575
  C      -8.140727      4.598236     -2.746594
  C      -8.142584      3.671758     -1.679312
  N      -7.398217      3.791132     -0.591824
  C      -6.586703      4.877482     -0.502150
  C      -6.465231      1.456056      7.792308
  C      -7.134202      2.830197      8.011970
  C      -8.542519      2.871795      7.447175
  O      -8.406713      2.650022      6.027480
  C      -9.513156      2.536047      5.269742
  C     -10.815468      2.748789      5.690611
  C     -11.864938      2.606669      4.754796
  N     -11.713986      2.280584      3.481587
  C     -10.436378      2.058268      3.055251
  C     -10.208154      1.698194      1.703061
  C      -8.922434      1.466614      1.268042
  C      -7.859717      1.582378      2.186241
  N      -8.031235      1.912479      3.458935
  C      -9.294494      2.162595      3.905521
  H      -3.429769     -1.462994      4.477981
  H      -4.556005     -0.292375      3.769817
  H      -1.586582     -0.447094      2.976987
  H      -2.867223     -1.357634      2.177972
  H      -2.269006      0.740036      0.958495
  H      -2.774851      1.714614      2.355776
  H      -6.087668     -0.662678      0.152605
  H      -6.907238     -0.207223     -2.159397
  H      -4.630574      3.435949     -3.735272
  H      -2.894555      4.989052     -2.753438
  H      -2.057789      4.543025     -0.443224
  H      -3.375582      5.512834      4.376632
  H      -4.592789      5.679053      5.646242
  H      -5.668363      5.741444      3.547224
  H      -6.151167      4.205471      4.270564
  H      -4.619203      2.959098      2.799607
  H      -3.838946      4.447982      2.240657
  H      -4.275158      6.354258      1.555160
  H      -4.324837      7.978904     -0.286863
  H      -7.282813      6.460296     -3.449321
  H      -8.776904      4.426423     -3.615695
  H      -8.786932      2.788360     -1.733134
  H      -6.643735      0.804599      8.664963
  H      -6.925482      0.975502      6.921732
  H      -6.536005      3.599993      7.499274
  H      -7.170943      3.100758      9.077395
  H      -9.017085      3.849670      7.627033
  H      -9.184118      2.083300      7.876381
  H     -11.046722      3.030781      6.716559
  H     -12.891881      2.780495      5.091318
  H     -11.070973      1.619705      1.039812
  H      -8.704056      1.203853      0.234131
  H      -6.831325      1.405476      1.866674
  N      -5.684672      1.880533      4.833222
  H      -6.665394      1.885949      4.326805
100
Coordinates from ORCA-job orca E -6429.412028000513
  N      -3.096529      0.535275      5.032637
  Mo     -4.253285      1.952164      5.774253
  N      -5.021277      1.533943      7.544912
  C      -4.216140      1.594320      8.763169
  C      -2.771585      1.264150      8.432635
  N      -2.379114      2.003354      7.213908
  C      -1.284538      1.346335      6.467720
  C      -1.842583      0.166867      5.696327
  C      -2.113002      3.431459      7.474699
  C      -2.370548      4.230502      6.211607
  N      -3.632866      3.820929      5.574437
  H      -1.091925     -0.156631      4.957033
  H      -2.018724     -0.703093      6.358101
  H      -0.877720      2.081241      5.759256
  H      -0.468716      1.039365      7.145086
  H      -2.422502      5.298549      6.482180
  H      -1.537761      4.134503      5.490170
  H      -2.811251      3.763418      8.255119
  H      -1.085351      3.584953      7.848651
  H      -4.596815      0.865668      9.499399
  H      -4.298615      2.590818      9.238725
  H      -2.690462      0.191311      8.211418
  H      -2.094554      1.494277      9.273485
  C      -3.499023     -0.457450      4.023312
  C      -2.659526     -0.429964      2.738339
  C      -2.926846      0.761113      1.835911
  O      -4.313877      0.674890      1.411845
  C      -4.668838      0.943174      0.129826
  C      -5.672810      0.160232     -0.419045
  C      -6.129229      0.421627     -1.724397
  N      -5.670854      1.390467     -2.502303
  C      -4.700323      2.187577     -1.972495
  C      -4.219497      3.275598     -2.742897
  C      -3.275524      4.121228     -2.207164
  C      -2.805113      3.872248     -0.897642
  N      -3.212297      2.865776     -0.139887
  C      -4.148406      2.021567     -0.656289
  C      -4.218781      4.983203      4.877489
  C      -5.302916      4.743907      3.839541
  C      -4.790288      4.020880      2.600860
  O      -5.761621      4.028904      1.538848
  C      -5.727355      5.030056      0.639610
  C      -4.929154      6.163241      0.711063
  C      -4.955827      7.092942     -0.349922
  N      -5.693455      6.985698     -1.442748
  C      -6.502947      5.887644     -1.519398
  C      -7.313704      5.710254     -2.667514
  C      -8.127112      4.602625     -2.755431
  C      -8.133090      3.675743     -1.688548
  N      -7.391803      3.793925     -0.598803
  C      -6.579470      4.879385     -0.506384
  C      -6.463620      1.449778      7.793178
  C      -7.134349      2.822501      8.016431
  C      -8.543225      2.863164      7.452997
  O      -8.408541      2.644631      6.032774
  C      -9.515596      2.533010      5.275541
  C     -10.817624      2.743297      5.698480
  C     -11.867958      2.604080      4.763201
  N     -11.718021      2.283272      3.488549
  C     -10.440636      2.063872      3.059978
  C     -10.213508      1.710153      1.705954
  C      -8.927960      1.482202      1.268466
  C      -7.864372      1.594826      2.186078
  N      -8.034857      1.918587      3.460589
  C      -9.297958      2.165437      3.909528
  H      -3.422750     -1.462483      4.477687
  H      -4.552849     -0.295126      3.770327
  H      -1.583723     -0.443411      2.974980
  H      -2.863823     -1.354839      2.176197
  H      -2.270277      0.744364      0.957654
  H      -2.773431      1.717277      2.357088
  H      -6.090205     -0.662654      0.162411
  H      -6.910391     -0.216053     -2.151020
  H      -4.633766      3.420818     -3.741668
  H      -2.898691      4.978626     -2.765575
  H      -2.062091      4.541987     -0.453446
  H      -3.385930      5.516284      4.380302
  H      -4.605430      5.675521      5.648586
  H      -5.676356      5.737678      3.545929
  H      -6.157251      4.200660      4.267992
  H      -4.621538      2.957443      2.798791
  H      -3.839772      4.447176      2.244749
  H      -4.272334      6.352894      1.558208
  H      -4.315490      7.978901     -0.283055
  H      -7.265457      6.464230     -3.454856
  H      -8.760797      4.431707     -3.626514
  H      -8.778051      2.792917     -1.744731
  H      -6.640542      0.796423      8.664768
  H      -6.923866      0.970273      6.922058
  H      -6.537715      3.594440      7.505101
  H      -7.170536      3.090446      9.082544
  H      -9.019293      3.839800      7.635510
  H      -9.183091      2.072732      7.881240
  H     -11.048050      3.021129      6.725746
  H     -12.894688      2.775827      5.101382
  H     -11.076963      1.633654      1.043345
  H      -8.710424      1.224621      0.233059
  H      -6.836194      1.420827      1.864178
  N      -5.686211      1.877909      4.833626
  H      -6.667082      1.885160      4.328451
100
Coordinates from ORCA-job orca E -6429.412029473589
  N      -3.095873      0.535660      5.032125
  Mo     -4.253482      1.951872      5.773540
  N      -5.021130      1.533688      7.544323
  C      -4.215995      1.594091      8.762555
  C      -2.771291      1.264589      8.431880
  N      -2.379329      2.004123      7.213183
  C      -1.284280      1.347875      6.466975
  C      -1.841534      0.168067      5.695542
  C      -2.114131      3.432368      7.474167
  C      -2.372035      4.231227      6.211054
  N      -3.634421      3.821106      5.574230
  H      -1.090828     -0.154904      4.956080
  H      -2.017067     -0.702067      6.357254
  H      -0.877984      2.083047      5.758496
  H      -0.468258      1.041475      7.144342
  H      -2.424145      5.299311      6.481354
  H      -1.539402      4.135130      5.489454
  H      -2.812788      3.763798      8.254444
  H      -1.086649      3.586507      7.848336
  H      -4.596402      0.865117      9.498607
  H      -4.298845      2.590454      9.238324
  H      -2.689650      0.191799      8.210618
  H      -2.094279      1.495019      9.272661
  C      -3.498245     -0.457619      4.023260
  C      -2.659084     -0.430525      2.738103
  C      -2.926478      0.760361      1.835410
  O      -4.313569      0.674043      1.411801
  C      -4.669125      0.942377      0.130040
  C      -5.673988      0.160052     -0.418101
  C      -6.130668      0.421105     -1.723410
  N      -5.671824      1.389163     -2.502036
  C      -4.700693      2.185961     -1.972807
  C      -4.219631      3.273471     -2.743768
  C      -3.275276      4.119044     -2.208600
  C      -2.804566      3.870356     -0.899125
  N      -3.211750      2.864174     -0.140982
  C      -4.148412      2.020184     -0.656714
  C      -4.222108      4.983360      4.878744
  C      -5.304253      4.743367      3.838843
  C      -4.788727      4.021636      2.600644
  O      -5.758577      4.028772      1.537410
  C      -5.724750      5.030607      0.638869
  C      -4.926928      6.164013      0.711017
  C      -4.953455      7.094042     -0.349707
  N      -5.690544      6.986778     -1.442894
  C      -6.499874      5.888664     -1.520084
  C      -7.310118      5.711377     -2.668569
  C      -8.123462      4.603705     -2.756909
  C      -8.129968      3.676799     -1.690084
  N      -7.389101      3.794843     -0.600017
  C      -6.576718      4.880203     -0.507263
  C      -6.463432      1.449065      7.792620
  C      -7.134225      2.821582      8.017087
  C      -8.543379      2.862225      7.454331
  O      -8.409287      2.644674      6.033907
  C      -9.516707      2.532289      5.277314
  C     -10.818669      2.741039      5.701246
  C     -11.869521      2.601170      4.766651
  N     -11.720131      2.281183      3.491736
  C     -10.442798      2.063501      3.062112
  C     -10.216235      1.710931      1.707706
  C      -8.930717      1.484994      1.269132
  C      -7.866545      1.598313      2.185993
  N      -8.036530      1.920779      3.460920
  C      -9.299613      2.165788      3.910894
  H      -3.421337     -1.462385      4.478114
  H      -4.552232     -0.295975      3.770524
  H      -1.583180     -0.444152      2.974389
  H      -2.863751     -1.355562      2.176339
  H      -2.270123      0.743432      0.957001
  H      -2.772761      1.716608      2.356365
  H      -6.091915     -0.662221      0.163853
  H      -6.912423     -0.216283     -2.149376
  H      -4.634024      3.418324     -3.742539
  H      -2.898443      4.976175     -2.767413
  H      -2.061219      4.539999     -0.455348
  H      -3.389938      5.519255      4.383487
  H      -4.611304      5.673329      5.650659
  H      -5.678219      5.736904      3.545098
  H      -6.158732      4.198985      4.265525
  H      -4.618594      2.958322      2.798184
  H      -3.838216      4.449539      2.246380
  H      -4.270470      6.353542      1.558466
  H      -4.313411      7.980162     -0.282339
  H      -7.261600      6.465393     -3.455853
  H      -8.756725      4.432815     -3.628304
  H      -8.775031      2.794075     -1.746586
  H      -6.640305      0.795056      8.663733
  H      -6.923688      0.970281      6.921141
  H      -6.537993      3.594013      7.506038
  H      -7.169923      3.088745      9.083405
  H      -9.019730      3.838558      7.637746
  H      -9.182781      2.071312      7.882407
  H     -11.048638      3.018242      6.728789
  H     -12.896207      2.771630      5.105628
  H     -11.080111      1.633571      1.045742
  H      -8.713693      1.228246      0.233406
  H      -6.838439      1.426143      1.862960
  N      -5.686623      1.877265      4.833052
  H      -6.667576      1.885589      4.328553
100
Coordinates from ORCA-job orca E -6429.412031410995
  N      -3.093210      0.537479      5.031088
  Mo     -4.253833      1.951001      5.772577
  N      -5.020131      1.531241      7.543418
  C      -4.214746      1.591781      8.761444
  C      -2.769469      1.265471      8.429870
  N      -2.379667      2.006981      7.211638
  C      -1.282952      1.354115      6.464897
  C      -1.837121      0.173206      5.692970
  C      -2.117985      3.435680      7.473846
  C      -2.377770      4.234620      6.211232
  N      -3.639594      3.821939      5.574752
  H      -1.086183     -0.146935      4.952547
  H      -2.009574     -0.698007      6.354103
  H      -0.878722      2.090740      5.756752
  H      -0.466047      1.049618      7.142038
  H      -2.431840      5.302505      6.481752
  H      -1.545275      4.140190      5.489273
  H      -2.817805      3.764677      8.254094
  H      -1.091027      3.592141      7.848491
  H      -4.593608      0.861272      9.496772
  H      -4.299308      2.587470      9.238316
  H      -2.685726      0.193048      8.207622
  H      -2.092478      1.496627      9.270457
  C      -3.494944     -0.457360      4.023464
  C      -2.657243     -0.430743      2.737433
  C      -2.925716      0.759872      1.834637
  O      -4.313745      0.674244      1.414329
  C      -4.671464      0.938950      0.132475
  C      -5.677514      0.155438     -0.411757
  C      -6.135847      0.412527     -1.717280
  N      -5.677597      1.377865     -2.499658
  C      -4.705681      2.176187     -1.974021
  C      -4.225610      3.261389     -2.748798
  C      -3.281198      4.109081     -2.217036
  C      -2.809156      3.864530     -0.907241
  N      -3.214919      2.860239     -0.145816
  C      -4.151854      2.014422     -0.658123
  C      -4.232697      4.983661      4.882946
  C      -5.309442      4.741375      3.838003
  C      -4.786478      4.023526      2.600664
  O      -5.752139      4.029913      1.533864
  C      -5.717817      5.033577      0.637295
  C      -4.921271      6.167662      0.712869
  C      -4.946039      7.098982     -0.346797
  N      -5.680228      6.992255     -1.442016
  C      -6.488745      5.893797     -1.522301
  C      -7.296179      5.717236     -2.672890
  C      -8.108791      4.609216     -2.764166
  C      -8.117589      3.681421     -1.698153
  N      -7.379313      3.798734     -0.606256
  C      -6.567423      4.884208     -0.510715
  C      -6.462191      1.444152      7.792086
  C      -7.134305      2.815409      8.020484
  C      -8.543912      2.855676      7.458818
  O      -8.410673      2.641403      6.037796
  C      -9.518723      2.529440      5.282051
  C     -10.820523      2.735012      5.708142
  C     -11.872259      2.596681      4.774335
  N     -11.723874      2.281261      3.498179
  C     -10.446719      2.066869      3.066346
  C     -10.221207      1.719766      1.710350
  C      -8.935846      1.497690      1.269443
  C      -7.870726      1.608899      2.185496
  N      -8.039711      1.925952      3.461964
  C      -9.302650      2.167584      3.914167
  H      -3.415875     -1.461499      4.479380
  H      -4.549438     -0.297761      3.771674
  H      -1.580967     -0.444912      2.972068
  H      -2.863293     -1.355979      2.176454
  H      -2.271189      0.742067      0.954895
  H      -2.770123      1.716325      2.354683
  H      -6.095192     -0.664795      0.173234
  H      -6.918365     -0.226026     -2.140075
  H      -4.640790      3.402822     -3.747736
  H      -2.905519      4.964840     -2.778718
  H      -2.065918      4.535995     -0.466082
  H      -3.402645      5.527542      4.393012
  H      -4.629306      5.667190      5.656823
  H      -5.685315      5.734232      3.544292
  H      -6.163950      4.193450      4.259913
  H      -4.613874      2.960321      2.796836
  H      -3.835687      4.455150      2.251575
  H      -4.267068      6.356761      1.562155
  H      -4.306955      7.985571     -0.276778
  H      -7.246325      6.471999     -3.459361
  H      -8.739834      4.438788     -3.637263
  H      -8.762255      2.798581     -1.756986
  H      -6.638088      0.787684      8.661551
  H      -6.922245      0.967377      6.919446
  H      -6.539360      3.589838      7.510991
  H      -7.169499      3.079765      9.087502
  H      -9.021224      3.831088      7.644676
  H      -9.182141      2.063199      7.885768
  H     -11.049650      3.008904      6.736761
  H     -12.898806      2.764513      5.115072
  H     -11.085749      1.643372      1.049131
  H      -8.719575      1.245118      0.232533
  H      -6.842860      1.440031      1.860126
  N      -5.687350      1.874489      4.832281
  H      -6.668374      1.885237      4.329100
100
Coordinates from ORCA-job orca E -6429.412032467124
  N      -3.093167      0.538396      5.030222
  Mo     -4.254497      1.951013      5.772238
  N      -5.020026      1.530508      7.543137
  C      -4.214263      1.590879      8.760916
  C      -2.768934      1.265526      8.428646
  N      -2.380061      2.007905      7.210620
  C      -1.282993      1.356215      6.463396
  C      -1.836337      0.175109      5.691199
  C      -2.119372      3.436714      7.473418
  C      -2.380112      4.235948      6.211192
  N      -3.641811      3.822488      5.574963
  H      -1.085459     -0.143851      4.950219
  H      -2.007544     -0.696628      6.351982
  H      -0.879476      2.093454      5.755483
  H      -0.465719      1.052150      7.140285
  H      -2.434855      5.303692      6.482089
  H      -1.547774      4.142360      5.488950
  H      -2.819355      3.764794      8.253909
  H      -1.092492      3.593792      7.847997
  H      -4.592513      0.859852      9.496046
  H      -4.299151      2.586314      9.238267
  H      -2.684718      0.193271      8.205765
  H      -2.091708      1.496649      9.269046
  C      -3.495063     -0.456790      4.022973
  C      -2.657883     -0.430466      2.736610
  C      -2.926279      0.760098      1.833711
  O      -4.314432      0.674955      1.413792
  C      -4.672017      0.939560      0.131853
  C      -5.678925      0.156897     -0.412002
  C      -6.136615      0.413596     -1.717824
  N      -5.676874      1.377705     -2.500865
  C      -4.704099      2.175189     -1.975573
  C      -4.222294      3.259050     -2.751163
  C      -3.276937      4.105939     -2.219828
  C      -2.805802      3.861993     -0.909575
  N      -3.213120      2.858911     -0.147409
  C      -4.150963      2.013838     -0.659367
  C      -4.237219      4.983967      4.884673
  C      -5.311063      4.740509      3.837076
  C      -4.784093      4.024131      2.600538
  O      -5.747935      4.028695      1.532143
  C      -5.714675      5.032937      0.636164
  C      -4.919403      6.167855      0.712473
  C      -4.944904      7.099616     -0.346778
  N      -5.678671      6.992632     -1.442241
  C      -6.486091      5.893415     -1.523194
  C      -7.293202      5.716651     -2.673979
  C      -8.104727      4.607903     -2.765917
  C      -8.112819      3.679588     -1.700346
  N      -7.374820      3.797081     -0.608280
  C      -6.563923      4.883280     -0.512093
  C      -6.461919      1.442641      7.792332
  C      -7.134289      2.813474      8.022495
  C      -8.544159      2.853972      7.461530
  O      -8.411579      2.641634      6.040118
  C      -9.520105      2.529090      5.285155
  C     -10.821747      2.732948      5.712579
  C     -11.874161      2.594694      4.779549
  N     -11.726583      2.280922      3.502903
  C     -10.449616      2.068047      3.069802
  C     -10.225002      1.722513      1.713259
  C      -8.939873      1.501697      1.271102
  C      -7.874022      1.612745      2.186343
  N      -8.042112      1.928426      3.463273
  C      -9.304859      2.168732      3.916745
  H      -3.415683     -1.460828      4.479102
  H      -4.549648     -0.297348      3.771525
  H      -1.581504     -0.445305      2.970620
  H      -2.864853     -1.355640      2.175851
  H      -2.271994      0.741709      0.953796
  H      -2.770120      1.716693      2.353300
  H      -6.097742     -0.662431      0.173427
  H      -6.919831     -0.224306     -2.140302
  H      -4.636850      3.400044     -3.750420
  H      -2.899852      4.960631     -2.782195
  H      -2.061810      4.532865     -0.468789
  H      -3.407976      5.531489      4.397531
  H      -4.637623      5.664579      5.659174
  H      -5.687745      5.732980      3.543103
  H      -6.165708      4.190922      4.256435
  H      -4.609606      2.961261      2.796969
  H      -3.833589      4.457977      2.253398
  H      -4.265605      6.357338      1.561980
  H      -4.306730      7.986814     -0.276206
  H      -7.244006      6.471859     -3.460064
  H      -8.735464      4.437288     -3.639196
  H      -8.756610      2.796138     -1.759771
  H      -6.637271      0.785087      8.661092
  H      -6.922170      0.966800      6.919291
  H      -6.539807      3.588551      7.513474
  H      -7.169039      3.076707      9.089791
  H      -9.021649      3.829032      7.648750
  H      -9.181940      2.060804      7.887829
  H     -11.050231      3.005697      6.741641
  H     -12.900549      2.761263      5.121372
  H     -11.090022      1.646176      1.052670
  H      -8.724301      1.250044      0.233825
  H      -6.846349      1.444920      1.859811
  N      -5.688270      1.873815      4.832179
  H      -6.669469      1.885686      4.329758
100
Coordinates from ORCA-job orca E -6429.412033533799
  N      -3.092129      0.540556      5.029049
  Mo     -4.255315      1.951041      5.772181
  N      -5.019138      1.527875      7.543065
  C      -4.212670      1.588288      8.760392
  C      -2.766992      1.265949      8.426816
  N      -2.380280      2.010375      7.209326
  C      -1.282374      1.361487      6.460919
  C      -1.833807      0.179699      5.688403
  C      -2.122105      3.439397      7.473447
  C      -2.385072      4.239378      6.212192
  N      -3.645981      3.823756      5.575900
  H      -1.082914     -0.136902      4.946417
  H      -2.002244     -0.692953      6.348699
  H      -0.880776      2.100072      5.753316
  H      -0.464065      1.058632      7.137111
  H      -2.442135      5.306675      6.484341
  H      -1.552777      4.148540      5.489567
  H      -2.822342      3.765346      8.254590
  H      -1.095361      3.597988      7.847712
  H      -4.589119      0.855764      9.494952
  H      -4.299031      2.583030      9.238926
  H      -2.681026      0.194117      8.202609
  H      -2.089579      1.497351      9.266980
  C      -3.493813     -0.455601      4.022670
  C      -2.657922     -0.429216      2.735483
  C      -2.926940      0.761645      1.833187
  O      -4.316125      0.678406      1.416205
  C      -4.674760      0.938929      0.133613
  C      -5.682477      0.155033     -0.406870
  C      -6.140764      0.407690     -1.713321
  N      -5.680796      1.368843     -2.499836
  C      -4.707390      2.167655     -1.977753
  C      -4.225484      3.248710     -2.757175
  C      -3.279816      4.097163     -2.228887
  C      -2.808656      3.857744     -0.917791
  N      -3.215969      2.857319     -0.152130
  C      -4.153863      2.010548     -0.661258
  C      -4.245001      4.984680      4.887721
  C      -5.315485      4.739658      3.837136
  C      -4.783764      4.025550      2.601240
  O      -5.744766      4.030086      1.530295
  C      -5.709907      5.034854      0.635029
  C      -4.915716      6.170353      0.714171
  C      -4.938997      7.102681     -0.344613
  N      -5.669701      6.995881     -1.442145
  C      -6.476208      5.896176     -1.525840
  C      -7.280191      5.719606     -2.678858
  C      -8.090773      4.610449     -2.773645
  C      -8.101099      3.681452     -1.708659
  N      -7.366040      3.798737     -0.614602
  C      -6.556048      4.885420     -0.515565
  C      -6.460672      1.437490      7.793294
  C      -7.134675      2.806926      8.026745
  C      -8.544855      2.846826      7.466591
  O      -8.412800      2.637694      6.044615
  C      -9.521759      2.526349      5.290092
  C     -10.823246      2.727822      5.719150
  C     -11.876258      2.591756      4.786504
  N     -11.729402      2.282307      3.508721
  C     -10.452616      2.071689      3.074026
  C     -10.228830      1.730919      1.716130
  C      -8.943912      1.512199      1.272269
  C      -7.877475      1.620624      2.187174
  N      -8.044691      1.932006      3.465296
  C      -9.307253      2.170237      3.920458
  H      -3.413200     -1.459343      4.479251
  H      -4.548705     -0.297105      3.771972
  H      -1.581286     -0.444770      2.968140
  H      -2.866190     -1.354116      2.174741
  H      -2.274421      0.742361      0.951996
  H      -2.768721      1.718161      2.352280
  H      -6.101301     -0.662182      0.181484
  H      -6.924606     -0.231131     -2.133251
  H      -4.640295      3.386491     -3.756778
  H      -2.902511      4.949783     -2.794249
  H      -2.064647      4.530151     -0.479390
  H      -3.417087      5.537038      4.403900
  H      -4.650176      5.661485      5.663109
  H      -5.693631      5.731598      3.543149
  H      -6.169986      4.187615      4.253450
  H      -4.608576      2.962717      2.797201
  H      -3.832930      4.461220      2.257333
  H      -4.264368      6.359940      1.565539
  H      -4.301550      7.990234     -0.271817
  H      -7.229419      6.475367     -3.464315
  H      -8.719159      4.440022     -3.648660
  H      -8.744059      2.797581     -1.770433
  H      -6.634320      0.777798      8.660774
  H      -6.920991      0.962885      6.919600
  H      -6.541407      3.583738      7.518947
  H      -7.169251      3.067978      9.094586
  H      -9.023329      3.820980      7.656017
  H      -9.181490      2.052022      7.891512
  H     -11.051201      2.997130      6.749222
  H     -12.902505      2.756337      5.129713
  H     -11.094272      1.656513      1.055864
  H      -8.728788      1.264219      0.234033
  H      -6.850028      1.454324      1.859197
  N      -5.689469      1.872383      4.832607
  H      -6.670811      1.885952      4.331000
100
Coordinates from ORCA-job orca E -6429.412033330843
  N      -3.091715      0.543329      5.027406
  Mo     -4.256648      1.951408      5.772482
  N      -5.018222      1.524609      7.543379
  C      -4.210778      1.584993      8.760097
  C      -2.764764      1.266080      8.424877
  N      -2.380571      2.012897      7.208039
  C      -1.282087      1.367040      6.457868
  C      -1.831904      0.184707      5.685020
  C      -2.124883      3.442036      7.473789
  C      -2.390459      4.243157      6.213810
  N      -3.650509      3.825362      5.577376
  H      -1.081098     -0.129620      4.941960
  H      -1.997557     -0.688845      6.344829
  H      -0.882772      2.107146      5.750561
  H      -0.462438      1.065275      7.132937
  H      -2.450103      5.309872      6.487692
  H      -1.558247      4.155597      5.490690
  H      -2.825032      3.765675      8.255966
  H      -1.098111      3.602017      7.847351
  H      -4.585058      0.850712      9.494010
  H      -4.298785      2.578906      9.240056
  H      -2.676827      0.194744      8.199106
  H      -2.087096      1.497699      9.264772
  C      -3.493172     -0.453581      4.021688
  C      -2.658743     -0.426369      2.733588
  C      -2.928553      0.765240      1.832558
  O      -4.318819      0.684215      1.418532
  C      -4.678071      0.939806      0.135019
  C      -5.686367      0.154407     -0.402073
  C      -6.144414      0.402065     -1.709623
  N      -5.683549      1.359505     -2.500081
  C      -4.709825      2.160009     -1.981231
  C      -4.227152      3.237529     -2.765047
  C      -3.281437      4.087859     -2.239832
  C      -2.811215      3.854045     -0.927379
  N      -3.219193      2.856954     -0.157708
  C      -4.156813      2.008171     -0.663954
  C      -4.252485      4.985635      4.890608
  C      -5.320109      4.738987      3.837547
  C      -4.784009      4.026732      2.602396
  O      -5.742259      4.031404      1.528919
  C      -5.705153      5.036233      0.633932
  C      -4.912103      6.172342      0.715990
  C      -4.932685      7.104996     -0.342541
  N      -5.659854      6.998119     -1.442412
  C      -6.465266      5.897799     -1.529013
  C      -7.265454      5.721081     -2.684646
  C      -8.074886      4.611393     -2.782520
  C      -8.087874      3.681907     -1.717957
  N      -7.356345      3.799289     -0.621550
  C      -6.547512      4.886611     -0.519422
  C      -6.459317      1.431361      7.795010
  C      -7.135210      2.799194      8.032079
  C      -8.545779      2.838411      7.472945
  O      -8.414394      2.632939      6.050338
  C      -9.523827      2.523463      5.296215
  C     -10.825084      2.722852      5.726934
  C     -11.878759      2.589399      4.794677
  N     -11.732729      2.284406      3.515732
  C     -10.456181      2.075869      3.079375
  C     -10.233367      1.740050      1.720089
  C      -8.948714      1.523305      1.274389
  C      -7.881642      1.628883      2.188922
  N      -8.047855      1.935834      3.468266
  C      -9.310176      2.171979      3.925268
  H      -3.411112     -1.457163      4.478349
  H      -4.548429     -0.296111      3.771895
  H      -1.581839     -0.442379      2.964901
  H      -2.867968     -1.350742      2.172341
  H      -2.277937      0.745557      0.949985
  H      -2.768282      1.721377      2.351714
  H      -6.105543     -0.660222      0.189594
  H      -6.928695     -0.237869     -2.127049
  H      -4.641541      3.371363     -3.765360
  H      -2.903329      4.937855     -2.808614
  H      -2.067551      4.528354     -0.491323
  H      -3.425590      5.541698      4.409367
  H      -4.661547      5.659640      5.666415
  H      -5.699814      5.730284      3.543379
  H      -6.174316      4.184659      4.251336
  H      -4.608443      2.963901      2.797997
  H      -3.832782      4.463836      2.261478
  H      -4.263599      6.362234      1.569463
  H      -4.296098      7.992985     -0.267406
  H      -7.212703      6.477250     -3.469588
  H      -8.700422      4.440903     -3.659565
  H      -8.729784      2.797468     -1.782277
  H      -6.630851      0.769419      8.661198
  H      -6.919815      0.957878      6.920778
  H      -6.543356      3.577934      7.525574
  H      -7.169515      3.057909      9.100501
  H      -9.025417      3.811471      7.665009
  H      -9.181038      2.041659      7.896243
  H     -11.052450      2.988474      6.758081
  H     -12.904805      2.752268      5.139287
  H     -11.099289      1.667842      1.060205
  H      -8.734134      1.279263      0.235120
  H      -6.854428      1.464073      1.859453
  N      -5.691395      1.871406      4.833833
  H      -6.672998      1.886537      4.333080
100
Coordinates from ORCA-job orca E -6429.412033882064
  N      -3.092010      0.545835      5.025886
  Mo     -4.257915      1.952180      5.772824
  N      -5.017658      1.522231      7.543729
  C      -4.209409      1.582383      8.759959
  C      -2.763170      1.265995      8.423413
  N      -2.380882      2.014716      7.207152
  C      -1.282226      1.371094      6.455307
  C      -1.831172      0.188531      5.682169
  C      -2.126815      3.443834      7.474347
  C      -2.394256      4.246098      6.215480
  N      -3.653687      3.826944      5.578801
  H      -1.080535     -0.124335      4.938309
  H      -1.994989     -0.685641      6.341613
  H      -0.884777      2.112371      5.748181
  H      -0.461416      1.069961      7.129251
  H      -2.455732      5.312328      6.490873
  H      -1.562109      4.161027      5.491982
  H      -2.826755      3.765726      8.257429
  H      -1.099948      3.604632      7.847298
  H      -4.582062      0.846684      9.493283
  H      -4.298608      2.575603      9.241125
  H      -2.673783      0.195046      8.196414
  H      -2.085295      1.497664      9.263129
  C      -3.493577     -0.451491      4.020638
  C      -2.660203     -0.423922      2.731886
  C      -2.930191      0.768382      1.831840
  O      -4.321208      0.689370      1.419809
  C      -4.680726      0.941232      0.135596
  C      -5.689634      0.154980     -0.399007
  C      -6.147164      0.398725     -1.707508
  N      -5.685179      1.353045     -2.501044
  C      -4.711194      2.154734     -1.984520
  C      -4.227683      3.229429     -2.771659
  C      -3.281988      4.081177     -2.248659
  C      -2.812749      3.851697     -0.935093
  N      -3.221422      2.857183     -0.162429
  C      -4.158829      2.006944     -0.666527
  C      -4.257039      4.986841      4.892556
  C      -5.322922      4.739265      3.837942
  C      -4.784097      4.027916      2.603433
  O      -5.740455      4.032726      1.528223
  C      -5.701412      5.037334      0.633144
  C      -4.909043      6.173800      0.717090
  C      -4.927362      7.106379     -0.341550
  N      -5.651703      6.999093     -1.443254
  C      -6.456387      5.898374     -1.531784
  C      -7.253449      5.721162     -2.689493
  C      -8.062150      4.611134     -2.789396
  C      -8.077547      3.681766     -1.724756
  N      -7.348902      3.799571     -0.626468
  C      -6.540801      4.887268     -0.522319
  C      -6.458423      1.426796      7.796451
  C      -7.135757      2.793379      8.036395
  C      -8.546702      2.831963      7.478208
  O      -8.415965      2.629348      6.055120
  C      -9.525792      2.520903      5.301417
  C     -10.826909      2.718311      5.733457
  C     -11.881129      2.586215      4.801624
  N     -11.735725      2.284340      3.521870
  C     -10.459303      2.077923      3.084140
  C     -10.237208      1.745677      1.723868
  C      -8.952683      1.531156      1.276631
  C      -7.885058      1.635418      2.190696
  N      -8.050587      1.939031      3.470947
  C      -9.312785      2.172921      3.929479
  H      -3.410711     -1.454962      4.477377
  H      -4.549072     -0.294525      3.771516
  H      -1.583103     -0.440469      2.962282
  H      -2.870237     -1.347857      2.170227
  H      -2.280879      0.748472      0.948334
  H      -2.768272      1.724085      2.351286
  H      -6.109465     -0.657423      0.195252
  H      -6.931868     -0.241905     -2.123080
  H      -4.641470      3.360150     -3.772628
  H      -2.903117      4.929111     -2.820010
  H      -2.069353      4.527390     -0.500735
  H      -3.430533      5.544680      4.412716
  H      -4.668151      5.659533      5.668418
  H      -5.703483      5.730140      3.543478
  H      -6.177021      4.183707      4.250261
  H      -4.608503      2.965056      2.798837
  H      -3.832486      4.465679      2.264461
  H      -4.262767      6.364061      1.572170
  H      -4.291369      7.994665     -0.264871
  H      -7.198883      6.477282     -3.474363
  H      -8.685335      4.440283     -3.668043
  H      -8.718827      2.797001     -1.790703
  H      -6.628332      0.763161      8.661668
  H      -6.919084      0.954148      6.921844
  H      -6.545085      3.573681      7.530900
  H      -7.169742      3.050231      9.105282
  H      -9.027394      3.804062      7.672469
  H      -9.180720      2.033578      7.900288
  H     -11.053828      2.981216      6.765396
  H     -12.907064      2.747444      5.147328
  H     -11.103568      1.674374      1.064456
  H      -8.738584      1.289973      0.236601
  H      -6.857948      1.472389      1.860021
  N      -5.693205      1.871529      4.835084
  H      -6.675114      1.887789      4.335029
100
Coordinates from ORCA-job orca E -6429.412034379456
  N      -3.092578      0.549405      5.023741
  Mo     -4.259643      1.953479      5.773247
  N      -5.017060      1.519296      7.544129
  C      -4.207846      1.578895      8.759786
  C      -2.761308      1.265705      8.421553
  N      -2.381432      2.016991      7.206137
  C      -1.282611      1.376349      6.451985
  C      -1.830464      0.193623      5.678312
  C      -2.129415      3.446027      7.475422
  C      -2.398990      4.249912      6.218023
  N      -3.657659      3.829224      5.580887
  H      -1.080071     -0.117429      4.933447
  H      -1.992109     -0.681372      6.337209
  H      -0.887680      2.119227      5.745142
  H      -0.460237      1.075962      7.124355
  H      -2.462648      5.315524      6.495327
  H      -1.566898      4.167836      5.494100
  H      -2.829207      3.765582      8.259594
  H      -1.102477      3.607823      7.847778
  H      -4.578517      0.841268      9.492179
  H      -4.298548      2.571148      9.242645
  H      -2.670067      0.195264      8.192943
  H      -2.083201      1.497369      9.261085
  C      -3.494431     -0.448352      4.019059
  C      -2.662370     -0.420573      2.729513
  C      -2.932407      0.772635      1.830655
  O      -4.324316      0.696249      1.421079
  C      -4.684141      0.943283      0.136021
  C      -5.693903      0.156077     -0.395444
  C      -6.150694      0.394776     -1.705166
  N      -5.687134      1.344985     -2.502684
  C      -4.712745      2.148102     -1.989083
  C      -4.228013      3.219081     -2.780463
  C      -3.282328      4.072612     -2.260272
  C      -2.814371      3.848628     -0.945314
  N      -3.223989      2.857412     -0.168872
  C      -4.161262      2.005470     -0.670166
  C      -4.262248      4.988690      4.894954
  C      -5.325861      4.739975      3.838288
  C      -4.783593      4.029661      2.604702
  O      -5.737491      4.034451      1.527285
  C      -5.696087      5.038758      0.632013
  C      -4.904513      6.175629      0.718119
  C      -4.919990      7.107960     -0.340798
  N      -5.640801      6.999957     -1.444759
  C      -6.444675      5.898817     -1.535479
  C      -7.237827      5.720790     -2.695733
  C      -8.045769      4.610397     -2.797858
  C      -8.064372      3.681504     -1.732870
  N      -7.339280      3.799996     -0.632289
  C      -6.531895      4.888019     -0.525954
  C      -6.457426      1.421022      7.798100
  C      -7.136590      2.785971      8.041985
  C      -8.548095      2.823721      7.485177
  O      -8.418337      2.624864      6.061469
  C      -9.528704      2.517343      5.308441
  C     -10.829668      2.711794      5.742279
  C     -11.884638      2.580992      4.811106
  N     -11.740066      2.283057      3.530339
  C     -10.463768      2.079838      3.090719
  C     -10.242590      1.752197      1.729203
  C      -8.958182      1.541233      1.279877
  C      -7.889758      1.644365      2.193165
  N      -8.054459      1.943547      3.474599
  C      -9.316546      2.173924      3.935207
  H      -3.410633     -1.451675      4.475938
  H      -4.550221     -0.291963      3.770822
  H      -1.585007     -0.437940      2.958735
  H      -2.873544     -1.343998      2.167441
  H      -2.284689      0.752548      0.946020
  H      -2.768343      1.727708      2.350611
  H      -6.114786     -0.653340      0.202140
  H      -6.935972     -0.246707     -2.118338
  H      -4.640859      3.345711     -3.782337
  H      -2.902511      4.917925     -2.834871
  H      -2.071303      4.526041     -0.513096
  H      -3.436044      5.548426      4.416805
  H      -4.675729      5.659984      5.670744
  H      -5.707317      5.730345      3.543320
  H      -6.179933      4.183068      4.248798
  H      -4.607741      2.966779      2.799816
  H      -3.831504      4.468342      2.268250
  H      -4.260988      6.366393      1.575162
  H      -4.284757      7.996626     -0.262342
  H      -7.180931      6.476627     -3.480713
  H      -8.665980      4.438911     -3.678481
  H      -8.705067      2.796457     -1.800539
  H      -6.625396      0.755130      8.661968
  H      -6.918222      0.949624      6.922895
  H      -6.547549      3.568422      7.537907
  H      -7.170017      3.040191      9.111520
  H      -9.030217      3.794512      7.682409
  H      -9.180410      2.023188      7.905766
  H     -11.055963      2.971286      6.775219
  H     -12.910458      2.739805      5.158266
  H     -11.109571      1.681491      1.070539
  H      -8.744793      1.303737      0.238854
  H      -6.862732      1.484398      1.860776
  N      -5.695651      1.872230      4.836699
  H      -6.677993      1.889884      4.337615
100
Coordinates from ORCA-job orca E -6429.412023299597
  N      -3.093012      0.553884      5.021192
  Mo     -4.261277      1.955731      5.773065
  N      -5.016799      1.517331      7.543730
  C      -4.206869      1.576106      8.758973
  C      -2.760028      1.265922      8.419303
  N      -2.382240      2.019846      7.204902
  C      -1.283134      1.382134      6.448727
  C      -1.829813      0.199399      5.674277
  C      -2.132179      3.448749      7.476503
  C      -2.403585      4.254423      6.220647
  N      -3.661531      3.832493      5.582927
  H      -1.079557     -0.109807      4.928517
  H      -1.989569     -0.676487      6.332459
  H      -0.890394      2.126623      5.742367
  H      -0.459453      1.082340      7.119764
  H      -2.469255      5.319395      6.499937
  H      -1.571516      4.175251      5.496370
  H      -2.832036      3.765877      8.261597
  H      -1.105284      3.611443      7.848597
  H      -4.575840      0.836526      9.490256
  H      -4.298990      2.567340      9.243636
  H      -2.667092      0.196011      8.188954
  H      -2.081787      1.497381      9.258785
  C      -3.495179     -0.444386      4.017143
  C      -2.663042     -0.418378      2.727625
  C      -2.930737      0.775100      1.828394
  O      -4.323185      0.702666      1.419921
  C      -4.681688      0.942784      0.133166
  C      -5.693895      0.155923     -0.394031
  C      -6.148604      0.387783     -1.705737
  N      -5.680608      1.330877     -2.509085
  C      -4.703876      2.133899     -1.999731
  C      -4.214375      3.197795     -2.797648
  C      -3.266455      4.051557     -2.281859
  C      -2.801163      3.834921     -0.964736
  N      -3.215078      2.850176     -0.182316
  C      -4.154465      1.998069     -0.679261
  C      -4.267887      4.992002      4.898536
  C      -5.329469      4.743004      3.839903
  C      -4.784199      4.035000      2.606340
  O      -5.736212      4.040464      1.527283
  C      -5.693506      5.045612      0.633014
  C      -4.902793      6.182867      0.721923
  C      -4.916521      7.116228     -0.336114
  N      -5.634854      7.008823     -1.441759
  C      -6.437973      5.907368     -1.535211
  C      -7.228494      5.730002     -2.697357
  C      -8.035808      4.619403     -2.802199
  C      -8.056452      3.689630     -1.738034
  N      -7.333697      3.807397     -0.635822
  C      -6.526901      4.895607     -0.526796
  C      -6.456781      1.416228      7.798758
  C      -7.137756      2.779523      8.046688
  C      -8.550331      2.816019      7.492532
  O      -8.423087      2.619940      6.068217
  C      -9.534914      2.512255      5.317390
  C     -10.835210      2.703584      5.754615
  C     -11.892119      2.573011      4.825622
  N     -11.750008      2.278101      3.543891
  C     -10.474375      2.078088      3.100874
  C     -10.255839      1.753972      1.738106
  C      -8.972114      1.546459      1.285222
  C      -7.901695      1.649433      2.196203
  N      -8.063922      1.945194      3.478784
  C      -9.325332      2.172242      3.942894
  H      -3.411919     -1.447377      4.474868
  H      -4.550863     -0.287677      3.768702
  H      -1.585678     -0.437767      2.956736
  H      -2.875979     -1.341583      2.165851
  H      -2.283706      0.752957      0.943337
  H      -2.763778      1.729956      2.347850
  H      -6.118291     -0.648047      0.208413
  H      -6.935887     -0.253452     -2.115457
  H      -4.625321      3.319045     -3.800962
  H      -2.882910      4.891679     -2.861569
  H      -2.056602      4.512865     -0.535957
  H      -3.442317      5.554435      4.422478
  H      -4.683816      5.660925      5.675061
  H      -5.711900      5.733173      3.545501
  H      -6.183387      4.184340      4.248291
  H      -4.607651      2.972003      2.800187
  H      -3.831955      4.475231      2.272364
  H      -4.261240      6.373162      1.580553
  H      -4.282002      8.005203     -0.255432
  H      -7.170202      6.486556     -3.481547
  H      -8.654037      4.448422     -3.684313
  H      -8.696701      2.804440     -1.807803
  H      -6.622845      0.748041      8.661224
  H      -6.917706      0.946183      6.922906
  H      -6.550879      3.564053      7.543318
  H      -7.169781      3.031395      9.116827
  H      -9.033685      3.785634      7.692505
  H      -9.180530      2.013679      7.912860
  H     -11.059560      2.960457      6.788631
  H     -12.917408      2.729280      5.175507
  H     -11.124276      1.683123      1.081375
  H      -8.760777      1.311740      0.243155
  H      -6.875191      1.492452      1.860865
  N      -5.697776      1.874127      4.837277
  H      -6.680431      1.893327      4.339059
100
Coordinates from ORCA-job orca E -6429.412034482226
  N      -3.093952      0.553644      5.021106
  Mo     -4.261757      1.955577      5.773476
  N      -5.017051      1.517172      7.544304
  C      -4.206975      1.575586      8.759452
  C      -2.760238      1.265071      8.419556
  N      -2.382498      2.019000      7.205169
  C      -1.283705      1.381202      6.448592
  C      -1.830752      0.198724      5.673996
  C      -2.132202      3.447845      7.476898
  C      -2.403292      4.253627      6.221028
  N      -3.661375      3.832102      5.583228
  H      -1.080688     -0.110651      4.928132
  H      -1.990769     -0.677187      6.332082
  H      -0.891112      2.125751      5.742220
  H      -0.459853      1.081171      7.119308
  H      -2.468546      5.318673      6.500136
  H      -1.571224      4.173956      5.496795
  H      -2.832064      3.765037      8.261965
  H      -1.105296      3.610369      7.849063
  H      -4.576065      0.835995      9.490667
  H      -4.298797      2.566786      9.244233
  H      -2.667527      0.195137      8.189217
  H      -2.081859      1.496377      9.258972
  C      -3.496310     -0.443921      4.016446
  C      -2.664879     -0.416526      2.726513
  C      -2.933683      0.777745      1.828621
  O      -4.326328      0.704949      1.420971
  C      -4.686388      0.948320      0.135324
  C      -5.698557      0.162133     -0.392966
  C      -6.155139      0.397385     -1.703396
  N      -5.689090      1.343297     -2.504582
  C      -4.712413      2.145683     -1.994077
  C      -4.224987      3.212430     -2.789441
  C      -3.277128      4.065515     -2.272412
  C      -2.809735      3.845267     -0.956645
  N      -3.221660      2.857761     -0.176649
  C      -4.161065      2.006379     -0.674756
  C      -4.265854      4.991256      4.896606
  C      -5.327101      4.741666      3.837740
  C      -4.781593      4.031512      2.605560
  O      -5.732943      4.035373      1.525942
  C      -5.689147      5.038862      0.629797
  C      -4.897646      6.175692      0.716932
  C      -4.910114      7.107020     -0.342923
  N      -5.627878      6.997903     -1.448769
  C      -6.431734      5.896871     -1.540549
  C      -7.221744      5.717815     -2.702777
  C      -8.029961      4.607676     -2.805784
  C      -8.051997      3.680100     -1.739760
  N      -7.329676      3.799432     -0.637413
  C      -6.522018      4.887153     -0.530168
  C      -6.457040      1.416365      7.799369
  C      -7.137727      2.779793      8.047446
  C      -8.550155      2.816611      7.492938
  O      -8.422372      2.620960      6.068641
  C      -9.533780      2.512531      5.317343
  C     -10.834438      2.702679      5.753990
  C     -11.890810      2.571228      4.824498
  N     -11.747856      2.276517      3.542819
  C     -10.471827      2.077807      3.100324
  C     -10.252333      1.754046      1.737639
  C      -8.968180      1.548130      1.285296
  C      -7.898223      1.652262      2.196673
  N      -8.061401      1.947520      3.479253
  C      -9.323263      2.173028      3.942852
  H      -3.412500     -1.447269      4.473300
  H      -4.552184     -0.287380      3.768711
  H      -1.587361     -0.435561      2.955001
  H      -2.877653     -1.339365      2.164073
  H      -2.287171      0.757111      0.943151
  H      -2.766911      1.732041      2.349188
  H      -6.121596     -0.643901      0.207688
  H      -6.942362     -0.243383     -2.113946
  H      -4.637336      3.336226     -3.791867
  H      -2.895245      4.907770     -2.850114
  H      -2.065125      4.522521     -0.526870
  H      -3.439312      5.551817      4.419977
  H      -4.681203      5.661997      5.671856
  H      -5.708618      5.731693      3.541712
  H      -6.181649      4.184265      4.246578
  H      -4.605254      2.968779      2.801060
  H      -3.829031      4.470936      2.271401
  H      -4.256431      6.367104      1.575566
  H      -4.275058      7.995726     -0.263613
  H      -7.162445      6.472734     -3.488463
  H      -8.647849      4.435424     -3.687888
  H      -8.693151      2.795436     -1.807950
  H      -6.623320      0.748241      8.661841
  H      -6.918058      0.946457      6.923511
  H      -6.550621      3.564389      7.544452
  H      -7.169903      3.031333      9.117660
  H      -9.033561      3.786163      7.693089
  H      -9.180511      2.014178      7.912877
  H     -11.059448      2.959286      6.787936
  H     -12.916410      2.726556      5.173897
  H     -11.120426      1.682169      1.080570
  H      -8.756265      1.313704      0.243269
  H      -6.871369      1.496739      1.861741
  N      -5.698447      1.874286      4.838033
  H      -6.681278      1.892727      4.340006
100
Coordinates from ORCA-job orca E -6429.411850046110
  N      -3.096077      0.557129      5.023300
  Mo     -4.265759      1.955584      5.779466
  N      -5.017277      1.510792      7.550332
  C      -4.205946      1.568827      8.764717
  C      -2.758622      1.263585      8.422385
  N      -2.384642      2.021088      7.209028
  C      -1.285603      1.387824      6.448988
  C      -1.831016      0.204858      5.674004
  C      -2.137598      3.449883      7.483379
  C      -2.412114      4.257680      6.229513
  N      -3.669103      3.833658      5.591314
  H      -1.081266     -0.102272      4.926894
  H      -1.987880     -0.671899      6.331718
  H      -0.897024      2.134617      5.742783
  H      -0.459273      1.089192      7.117272
  H      -2.480790      5.321818      6.511339
  H      -1.580211      4.182550      5.504567
  H      -2.837098      3.763768      8.270104
  H      -1.110533      3.614147      7.854398
  H      -4.571834      0.826344      9.494613
  H      -4.300392      2.558602      9.251873
  H      -2.662743      0.194395      8.189944
  H      -2.080027      1.495317      9.261518
  C      -3.498975     -0.442971      4.021388
  C      -2.671204     -0.416009      2.729182
  C      -2.946158      0.775353      1.829322
  O      -4.339701      0.697381      1.425582
  C      -4.702033      0.927757      0.138234
  C      -5.710235      0.131877     -0.382958
  C      -6.166608      0.351862     -1.696124
  N      -5.704015      1.291683     -2.506363
  C      -4.732322      2.104399     -2.002681
  C      -4.249915      3.166016     -2.807834
  C      -3.307977      4.029828     -2.297705
  C      -2.841459      3.825460     -0.979098
  N      -3.248465      2.842900     -0.190257
  C      -4.181817      1.981047     -0.681397
  C      -4.275844      4.992605      4.906276
  C      -5.338002      4.742779      3.848266
  C      -4.792421      4.035934      2.614253
  O      -5.744452      4.041811      1.535151
  C      -5.701230      5.047104      0.641039
  C      -4.911024      6.184648      0.730979
  C      -4.924433      7.118577     -0.326599
  N      -5.641951      7.011207     -1.432789
  C      -6.444486      5.909425     -1.527282
  C      -7.233844      5.732101     -2.690184
  C      -8.040823      4.621305     -2.796011
  C      -8.062307      3.691368     -1.732060
  N      -7.340403      3.808940     -0.629223
  C      -6.533872      4.897213     -0.519312
  C      -6.456753      1.405315      7.805921
  C      -7.140842      2.765917      8.059507
  C      -8.548566      2.804531      7.493635
  O      -8.405986      2.622920      6.068904
  C      -9.508469      2.517870      5.304230
  C     -10.814943      2.696486      5.728142
  C     -11.859994      2.570248      4.785179
  N     -11.700854      2.291303      3.501858
  C     -10.418768      2.104996      3.071543
  C     -10.181975      1.799643      1.707540
  C      -8.891510      1.607378      1.267115
  C      -7.832518      1.706642      2.191805
  N      -8.011998      1.984491      3.476140
  C      -9.280440      2.196291      3.928228
  H      -3.411600     -1.445254      4.479862
  H      -4.555896     -0.289354      3.776169
  H      -1.592982     -0.430935      2.954853
  H      -2.882292     -1.340782      2.169309
  H      -2.302073      0.754821      0.942143
  H      -2.781120      1.731282      2.347478
  H      -6.129573     -0.670458      0.225201
  H      -6.950222     -0.296795     -2.101181
  H      -4.661406      3.277534     -3.812036
  H      -2.930070      4.868612     -2.883027
  H      -2.101909      4.511576     -0.554689
  H      -3.450415      5.554343      4.429033
  H      -4.690765      5.662403      5.682514
  H      -5.721989      5.732428      3.554318
  H      -6.190943      4.183020      4.257242
  H      -4.615028      2.972814      2.806801
  H      -3.840474      4.477094      2.280588
  H      -4.270175      6.374680      1.590185
  H      -4.290562      8.007909     -0.245026
  H      -7.174893      6.488827     -3.474160
  H      -8.658135      4.450287     -3.678750
  H      -8.702278      2.806040     -1.802557
  H      -6.621603      0.732978      8.665407
  H      -6.916421      0.938050      6.927945
  H      -6.551234      3.555062      7.566651
  H      -7.181318      3.009542      9.131273
  H      -9.036370      3.770869      7.698578
  H      -9.180416      1.996276      7.899995
  H     -11.053078      2.939721      6.762386
  H     -12.890327      2.716184      5.124540
  H     -11.042211      1.730753      1.039900
  H      -8.666492      1.387632      0.224611
  H      -6.800940      1.562160      1.866482
  N      -5.703762      1.872726      4.846363
  H      -6.687436      1.890968      4.350103
100
Coordinates from ORCA-job orca E -6429.412032269814
  N      -3.091781      0.551779      5.024351
  Mo     -4.258177      1.956101      5.774406
  N      -5.017597      1.520337      7.544111
  C      -4.209724      1.578232      8.760727
  C      -2.762997      1.264277      8.423730
  N      -2.381319      2.016344      7.209386
  C      -1.282457      1.375682      6.455305
  C      -1.830615      0.194261      5.679890
  C      -2.128373      3.444876      7.480404
  C      -2.395644      4.250236      6.223480
  N      -3.654024      3.831385      5.584523
  H      -1.079795     -0.116987      4.935569
  H      -1.993929     -0.681108      6.337878
  H      -0.886602      2.119044      5.749496
  H      -0.460713      1.073972      7.127848
  H      -2.458570      5.315688      6.501585
  H      -1.562818      4.167861      5.500422
  H      -2.828861      3.764219      8.264044
  H      -1.101747      3.605469      7.854167
  H      -4.581727      0.840105      9.491940
  H      -4.300307      2.570068      9.244453
  H      -2.672242      0.193948      8.194409
  H      -2.085646      1.494769      9.264202
  C      -3.494007     -0.445492      4.019334
  C      -2.662255     -0.417673      2.729605
  C      -2.934083      0.774593      1.829997
  O      -4.325946      0.695619      1.420868
  C      -4.687084      0.940894      0.135916
  C      -5.694959      0.150540     -0.394472
  C      -6.152828      0.386608     -1.704257
  N      -5.692190      1.337278     -2.502925
  C      -4.719834      2.143576     -1.990395
  C      -4.238474      3.215171     -2.782973
  C      -3.294995      4.071898     -2.264018
  C      -2.825789      3.850448     -0.949100
  N      -3.232246      2.858763     -0.171563
  C      -4.167354      2.003699     -0.671567
  C      -4.255436      4.991783      4.897417
  C      -5.320046      4.744669      3.841363
  C      -4.779839      4.032389      2.608094
  O      -5.734727      4.037065      1.531601
  C      -5.692951      5.040271      0.635002
  C      -4.898915      6.175615      0.718232
  C      -4.914739      7.106840     -0.341653
  N      -5.638184      6.999083     -1.443903
  C      -6.444582      5.899598     -1.531697
  C      -7.240874      5.722124     -2.689872
  C      -8.051774      4.613571     -2.788739
  C      -8.070144      3.686004     -1.722630
  N      -7.342003      3.803911     -0.623979
  C      -6.531682      4.890024     -0.520898
  C      -6.458308      1.421734      7.795966
  C      -7.138142      2.786572      8.038547
  C      -8.548879      2.823771      7.479664
  O      -8.417260      2.624125      6.056234
  C      -9.526684      2.515975      5.301927
  C     -10.828088      2.711310      5.734016
  C     -11.882034      2.580034      4.801757
  N     -11.736093      2.281000      3.521422
  C     -10.459349      2.077034      3.083431
  C     -10.236718      1.748491      1.722388
  C      -8.951863      1.537077      1.274642
  C      -7.884411      1.640333      2.189015
  N      -8.050546      1.940149      3.470140
  C      -9.313057      2.171317      3.929169
  H      -3.410245     -1.448939      4.475982
  H      -4.549843     -0.289000      3.771398
  H      -1.584789     -0.433653      2.958500
  H      -2.872504     -1.341761      2.168277
  H      -2.286547      0.755091      0.945238
  H      -2.771318      1.730166      2.349478
  H      -6.113423     -0.659485      0.203999
  H      -6.936443     -0.257516     -2.116471
  H      -4.651985      3.339561     -3.784850
  H      -2.917879      4.917731     -2.839623
  H      -2.084333      4.530281     -0.517902
  H      -3.427795      5.548690      4.418389
  H      -4.666707      5.665019      5.672669
  H      -5.699612      5.735597      3.545865
  H      -6.175055      4.189874      4.252834
  H      -4.604874      2.969488      2.804032
  H      -3.827517      4.469632      2.270394
  H      -4.253258      6.365924      1.573763
  H      -4.277598      7.994331     -0.265519
  H      -7.184124      6.476918     -3.475863
  H      -8.674487      4.442554     -3.667683
  H      -8.713338      2.802558     -1.787559
  H      -6.627548      0.755995      8.659709
  H      -6.917663      0.950122      6.920141
  H      -6.548602      3.569144      7.535259
  H      -7.173154      3.040889      9.108009
  H      -9.031501      3.794547      7.675745
  H      -9.181637      2.023407      7.899934
  H     -11.055427      2.972055      6.766417
  H     -12.908200      2.739630      5.147538
  H     -11.102995      1.677493      1.062835
  H      -8.737539      1.298886      0.233955
  H      -6.857028      1.480188      1.857836
  N      -5.693410      1.877288      4.836588
  H      -6.675415      1.895078      4.336744
100
Coordinates from ORCA-job orca E -6429.411909001593
  N      -3.090148      0.553039      5.013035
  Mo     -4.267525      1.945669      5.767631
  N      -5.015918      1.500136      7.539470
  C      -4.202637      1.560227      8.752484
  C      -2.754623      1.262152      8.407915
  N      -2.386246      2.022770      7.194827
  C      -1.283459      1.395881      6.435182
  C      -1.821641      0.209127      5.661032
  C      -2.147870      3.453236      7.469237
  C      -2.428237      4.259328      6.215545
  N      -3.682657      3.827187      5.577759
  H      -1.071013     -0.091591      4.912154
  H      -1.970868     -0.669368      6.318244
  H      -0.898979      2.144771      5.728918
  H      -0.455542      1.102571      7.103899
  H      -2.503442      5.322994      6.497311
  H      -1.596221      4.189592      5.490286
  H      -2.849376      3.762485      8.255957
  H      -1.121953      3.623870      7.840344
  H      -4.564282      0.815763      9.482459
  H      -4.300336      2.549204      9.240646
  H      -2.654224      0.193750      8.173811
  H      -2.075716      1.496287      9.246098
  C      -3.487275     -0.445805      4.007557
  C      -2.652715     -0.416750      2.719634
  C      -2.913934      0.782287      1.825876
  O      -4.307487      0.722852      1.419138
  C      -4.663175      0.963588      0.131476
  C      -5.682913      0.186036     -0.394825
  C      -6.135893      0.421991     -1.706548
  N      -5.658764      1.360060     -2.510461
  C      -4.673883      2.153618     -2.001928
  C      -4.173466      3.211711     -2.800756
  C      -3.217109      4.056292     -2.285396
  C      -2.755021      3.836725     -0.967586
  N      -3.179074      2.857002     -0.184294
  C      -4.126212      2.013494     -0.681365
  C      -4.300592      4.981583      4.894819
  C      -5.350182      4.722269      3.826966
  C      -4.787294      4.020128      2.597787
  O      -5.730535      4.016353      1.511197
  C      -5.691064      5.020880      0.616183
  C      -4.913613      6.166902      0.709779
  C      -4.928165      7.097932     -0.350348
  N      -5.635299      6.980597     -1.462296
  C      -6.425729      5.870307     -1.560337
  C      -7.204061      5.681765     -2.729014
  C      -7.998333      4.562250     -2.838463
  C      -8.018220      3.634520     -1.772402
  N      -7.306423      3.762576     -0.664344
  C      -6.512617      4.859914     -0.550500
  C      -6.454498      1.395182      7.800916
  C      -7.134830      2.754975      8.069703
  C      -8.551821      2.797275      7.527514
  O      -8.436105      2.622464      6.099533
  C      -9.554091      2.522933      5.356758
  C     -10.851502      2.699794      5.808619
  C     -11.915757      2.580038      4.886613
  N     -11.783323      2.308299      3.598686
  C     -10.510580      2.122763      3.141304
  C     -10.302119      1.823387      1.771237
  C      -9.021230      1.630349      1.303912
  C      -7.943472      1.723834      2.207391
  N      -8.096077      1.996612      3.496262
  C      -9.354720      2.208260      3.974889
  H      -3.402609     -1.449064      4.464517
  H      -4.542757     -0.291101      3.756992
  H      -1.575804     -0.442110      2.949986
  H      -2.869146     -1.336351      2.153262
  H      -2.267958      0.759459      0.940085
  H      -2.739792      1.733846      2.348945
  H      -6.115197     -0.613252      0.208223
  H      -6.929781     -0.211465     -2.115625
  H      -4.582792      3.336155     -3.804349
  H      -2.824625      4.891767     -2.865832
  H      -2.004294      4.507987     -0.539121
  H      -3.479666      5.557952      4.427742
  H      -4.732422      5.640899      5.670973
  H      -5.739945      5.708817      3.529708
  H      -6.201916      4.154493      4.227045
  H      -4.602670      2.958965      2.793756
  H      -3.836569      4.469693      2.272103
  H      -4.281852      6.366151      1.573631
  H      -4.303787      7.993752     -0.266006
  H      -7.147249      6.437263     -3.514337
  H      -8.607115      4.382782     -3.725468
  H      -8.648276      2.742343     -1.845566
  H      -6.614690      0.717122      8.656732
  H      -6.920289      0.934786      6.922492
  H      -6.552291      3.545974      7.571432
  H      -7.159002      2.993954      9.143022
  H      -9.034513      3.763460      7.744959
  H      -9.177686      1.988325      7.941490
  H     -11.068187      2.936912      6.848936
  H     -12.938767      2.724086      5.248265
  H     -11.175757      1.759387      1.120707
  H      -8.817340      1.414391      0.256384
  H      -6.919215      1.578291      1.860436
  N      -5.704811      1.853306      4.833511
  H      -6.687975      1.870839      4.337333
100
Coordinates from ORCA-job orca E -6429.412008896293
  N      -3.101336      0.558037      5.017428
  Mo     -4.268556      1.958459      5.773490
  N      -5.017844      1.517148      7.546310
  C      -4.204541      1.575139      8.759295
  C      -2.758312      1.267243      8.414994
  N      -2.385548      2.023134      7.200405
  C      -1.288173      1.388088      6.439534
  C      -1.835541      0.204974      5.666215
  C      -2.137037      3.452010      7.473381
  C      -2.411766      4.258787      6.218982
  N      -3.670025      3.835592      5.582452
  H      -1.087311     -0.103097      4.918012
  H      -1.992324     -0.671363      6.324545
  H      -0.899909      2.133912      5.732137
  H      -0.461199      1.089395      7.106985
  H      -2.478552      5.323466      6.499138
  H      -1.580773      4.181204      5.493271
  H      -2.836002      3.766959      8.260147
  H      -1.109700      3.615926      7.843802
  H      -4.570564      0.833953      9.490441
  H      -4.296614      2.565557      9.245583
  H      -2.664378      0.197671      8.183538
  H      -2.077964      1.498983      9.252698
  C      -3.506035     -0.439993      4.014212
  C      -2.675741     -0.416019      2.723518
  C      -2.938816      0.780582      1.826862
  O      -4.333051      0.719025      1.423249
  C      -4.693250      0.958660      0.137058
  C      -5.715211      0.181138     -0.385038
  C      -6.172227      0.414898     -1.695614
  N      -5.697266      1.351273     -2.502820
  C      -4.710320      2.145147     -1.998538
  C      -4.211948      3.201598     -2.800727
  C      -3.253123      4.046376     -2.290191
  C      -2.785849      3.827994     -0.974096
  N      -3.207629      2.849461     -0.187992
  C      -4.157974      2.006609     -0.679603
  C      -4.274478      4.993920      4.894212
  C      -5.331381      4.743391      3.831173
  C      -4.779658      4.036319      2.600063
  O      -5.726198      4.040728      1.516370
  C      -5.679789      5.046221      0.622476
  C      -4.890584      6.184110      0.715904
  C      -4.898871      7.117394     -0.342288
  N      -5.610307      7.008888     -1.452286
  C      -6.411989      5.906882     -1.550347
  C      -7.195124      5.728453     -2.717305
  C      -8.001284      4.617352     -2.826473
  C      -8.028238      3.688283     -1.761950
  N      -7.312053      3.806788     -0.655476
  C      -6.506413      4.895348     -0.542076
  C      -6.456823      1.413708      7.805600
  C      -7.138650      2.775646      8.058620
  C      -8.552526      2.810506      7.508024
  O      -8.427272      2.615768      6.083503
  C      -9.539656      2.501118      5.334769
  C     -10.840487      2.683136      5.774376
  C     -11.898195      2.544037      4.847531
  N     -11.756352      2.248852      3.565858
  C     -10.480042      2.058330      3.120452
  C     -10.261712      1.734103      1.757760
  C      -8.977270      1.537068      1.302485
  C      -7.905579      1.650616      2.210725
  N      -8.067630      1.945733      3.493550
  C      -9.330038      2.162368      3.959965
  H      -3.423447     -1.442943      4.472217
  H      -4.561862     -0.282143      3.767394
  H      -1.598016     -0.441006      2.950686
  H      -2.894050     -1.337463      2.160881
  H      -2.294865      0.756440      0.939646
  H      -2.763710      1.733145      2.347945
  H      -6.146402     -0.616649      0.220817
  H      -6.967684     -0.218966     -2.100936
  H      -4.624294      3.324285     -3.803281
  H      -2.862631      4.880952     -2.873244
  H      -2.032761      4.499004     -0.549405
  H      -3.447365      5.556117      4.420464
  H      -4.693186      5.663580      5.668539
  H      -5.713482      5.733095      3.534853
  H      -6.186513      4.184082      4.236137
  H      -4.601958      2.973498      2.793918
  H      -3.826411      4.478309      2.271151
  H      -4.254303      6.374807      1.578368
  H      -4.265798      8.007027     -0.257958
  H      -7.132534      6.484581     -3.501565
  H      -8.613883      4.445501     -3.712335
  H      -8.668201      2.803114     -1.834717
  H      -6.619671      0.743746      8.667303
  H      -6.919802      0.944934      6.930225
  H      -6.554412      3.562316      7.555576
  H      -7.168165      3.024828      9.129454
  H      -9.037490      3.778891      7.710050
  H      -9.180132      2.006466      7.929061
  H     -11.064637      2.938961      6.808710
  H     -12.923998      2.692777      5.199224
  H     -11.130989      1.654609      1.103147
  H      -8.766575      1.302404      0.260300
  H      -6.878558      1.503778      1.872725
  N      -5.707940      1.876119      4.842210
  H      -6.692092      1.894954      4.347658
100
Coordinates from ORCA-job orca E -6429.411480246727
  N      -3.068697      0.592725      5.019743
  Mo     -4.250434      1.975566      5.785865
  N      -5.007159      1.499669      7.545663
  C      -4.202504      1.548839      8.765073
  C      -2.750497      1.261774      8.425877
  N      -2.377014      2.038766      7.224484
  C      -1.269481      1.425539      6.460194
  C      -1.801263      0.246862      5.669273
  C      -2.142309      3.465375      7.519455
  C      -2.416652      4.287310      6.275123
  N      -3.665032      3.859782      5.623461
  H      -1.046381     -0.043970      4.920811
  H      -1.950125     -0.638933      6.316657
  H      -0.885486      2.184857      5.764922
  H      -0.442622      1.126273      7.127607
  H      -2.497732      5.346617      6.571507
  H      -1.579576      4.230739      5.554473
  H      -2.848156      3.763436      8.306648
  H      -1.118431      3.632178      7.897880
  H      -4.564676      0.792689      9.482697
  H      -4.309135      2.530720      9.265563
  H      -2.643904      0.196825      8.179221
  H      -2.078039      1.487977      9.271422
  C      -3.467391     -0.412131      4.020725
  C      -2.654304     -0.372917      2.719802
  C      -2.967411      0.807879      1.818807
  O      -4.364526      0.694641      1.434648
  C      -4.744180      0.877964      0.144214
  C      -5.714323      0.022096     -0.353076
  C      -6.178578      0.183260     -1.672113
  N      -5.759776      1.120655     -2.508139
  C      -4.830406      1.994116     -2.026982
  C      -4.402044      3.057448     -2.859883
  C      -3.508250      3.982902     -2.371539
  C      -3.036246      3.839502     -1.046822
  N      -3.392685      2.857896     -0.232621
  C      -4.276422      1.934140     -0.702899
  C      -4.278540      5.020243      4.947248
  C      -5.324526      4.768626      3.874132
  C      -4.758521      4.061950      2.648846
  O      -5.691420      4.074025      1.553037
  C      -5.621541      5.074938      0.656095
  C      -4.819245      6.203308      0.755147
  C      -4.805648      7.134599     -0.304644
  N      -5.508370      7.033665     -1.420873
  C      -6.322776      5.941284     -1.524463
  C      -7.097570      5.771168     -2.698186
  C      -7.916238      4.670154     -2.813786
  C      -7.964369      3.742591     -1.748467
  N      -7.257330      3.853898     -0.635441
  C      -6.438893      4.932529     -0.516022
  C      -6.446481      1.369394      7.790771
  C      -7.152946      2.716066      8.055057
  C      -8.560828      2.739370      7.487745
  O      -8.420275      2.575621      6.059973
  C      -9.526848      2.482482      5.299118
  C     -10.830107      2.655183      5.735328
  C     -11.882002      2.552808      4.797297
  N     -11.732381      2.305005      3.506589
  C     -10.453928      2.125024      3.063417
  C     -10.228109      1.857554      1.689595
  C      -8.941650      1.671899      1.234445
  C      -7.876366      1.738336      2.154801
  N      -8.045203      1.982060      3.447672
  C      -9.309198      2.189375      3.914573
  H      -3.361805     -1.413164      4.478181
  H      -4.528530     -0.272879      3.785226
  H      -1.573468     -0.365122      2.932275
  H      -2.853355     -1.303706      2.165544
  H      -2.334948      0.796374      0.923361
  H      -2.818306      1.770463      2.329448
  H      -6.093208     -0.783902      0.276317
  H      -6.929423     -0.513303     -2.059421
  H      -4.816927      3.121203     -3.866867
  H      -3.172012      4.823872     -2.978836
  H      -2.335730      4.575397     -0.639819
  H      -3.454514      5.597141      4.486381
  H      -4.711693      5.676092      5.725521
  H      -5.706975      5.757351      3.575045
  H      -6.181824      4.205825      4.269080
  H      -4.590504      2.997668      2.844139
  H      -3.799063      4.499926      2.333064
  H      -4.189016      6.388329      1.623264
  H      -4.162217      8.016384     -0.215687
  H      -7.017843      6.525561     -3.482605
  H      -8.522524      4.504661     -3.705183
  H      -8.611193      2.863216     -1.828312
  H      -6.605847      0.683826      8.640853
  H      -6.893513      0.905775      6.904292
  H      -6.574392      3.518642      7.570872
  H      -7.199499      2.949222      9.128883
  H      -9.061732      3.696673      7.703131
  H      -9.181423      1.918520      7.885949
  H     -11.060775      2.877495      6.775903
  H     -12.909380      2.694446      5.147145
  H     -11.093128      1.812781      1.026090
  H      -8.723926      1.482401      0.184400
  H      -6.847901      1.596340      1.818062
  N      -5.683867      1.898980      4.844832
  H      -6.665214      1.931419      4.346224
100
Coordinates from ORCA-job orca E -6429.412003968027
  N      -3.097021      0.558479      5.020130
  Mo     -4.261553      1.962802      5.773239
  N      -5.013965      1.522124      7.544589
  C      -4.202701      1.580585      8.758984
  C      -2.756124      1.271167      8.417137
  N      -2.380211      2.025132      7.202186
  C      -1.283374      1.386907      6.443087
  C      -1.832491      0.203975      5.670566
  C      -2.128340      3.453564      7.474117
  C      -2.400394      4.260126      6.219039
  N      -3.658519      3.838496      5.581635
  H      -1.084000     -0.106282      4.923506
  H      -1.991214     -0.671307      6.329809
  H      -0.892673      2.131157      5.735384
  H      -0.457782      1.087138      7.111784
  H      -2.466141      5.324859      6.499240
  H      -1.568761      4.181565      5.494167
  H      -2.826905      3.770983      8.260238
  H      -1.100794      3.615029      7.844976
  H      -4.570182      0.839897      9.489898
  H      -4.295181      2.571259      9.244682
  H      -2.663126      0.201299      8.186718
  H      -2.076749      1.502723      9.255677
  C      -3.504670     -0.442620      4.021241
  C      -2.676396     -0.423195      2.729387
  C      -2.936758      0.773851      1.832884
  O      -4.331942      0.718037      1.431352
  C      -4.690775      0.957741      0.144709
  C      -5.710211      0.178884     -0.380154
  C      -6.161859      0.410734     -1.693001
  N      -5.684501      1.346730     -2.499166
  C      -4.701366      2.143038     -1.991475
  C      -4.202324      3.200575     -2.791860
  C      -3.248490      4.048461     -2.277037
  C      -2.787084      3.832378     -0.958448
  N      -3.209611      2.852917     -0.173998
  C      -4.154498      2.006564     -0.670118
  C      -4.263474      4.997817      4.895444
  C      -5.324159      4.747943      3.835946
  C      -4.779395      4.035163      2.604802
  O      -5.731513      4.039490      1.525817
  C      -5.683994      5.038793      0.625247
  C      -4.886104      6.171675      0.705752
  C      -4.896124      7.098738     -0.357925
  N      -5.617242      6.989004     -1.461547
  C      -6.427472      5.892037     -1.546637
  C      -7.221434      5.712554     -2.706077
  C      -8.035947      4.606441     -2.802584
  C      -8.060489      3.683396     -1.732692
  N      -7.334813      3.803395     -0.632584
  C      -6.520805      4.887044     -0.531869
  C      -6.453096      1.411520      7.800142
  C      -7.143409      2.769425      8.050334
  C      -8.556246      2.795781      7.496299
  O      -8.428404      2.606034      6.071046
  C      -9.540620      2.491758      5.321742
  C     -10.841707      2.664057      5.764634
  C     -11.900000      2.531813      4.837540
  N     -11.758460      2.254010      3.551996
  C     -10.481996      2.074080      3.102797
  C     -10.264373      1.772937      1.734691
  C      -8.979820      1.588230      1.274360
  C      -7.907646      1.689486      2.183479
  N      -8.068859      1.963360      3.471233
  C      -9.331300      2.169491      3.942652
  H      -3.423432     -1.444295      4.482226
  H      -4.560400     -0.283264      3.775146
  H      -1.598464     -0.451456      2.954964
  H      -2.898707     -1.344236      2.167683
  H      -2.294291      0.746993      0.944756
  H      -2.757533      1.725953      2.353360
  H      -6.142002     -0.619502      0.224461
  H      -6.954713     -0.224554     -2.101267
  H      -4.610738      3.322055     -3.796165
  H      -2.857242      4.883699     -2.858675
  H      -2.038877      4.506416     -0.529950
  H      -3.437086      5.559085      4.419488
  H      -4.679820      5.667885      5.670708
  H      -5.704485      5.737906      3.538202
  H      -6.179617      4.192149      4.244933
  H      -4.605396      2.972250      2.801561
  H      -3.826041      4.472523      2.270085
  H      -4.241764      6.363188      1.562015
  H      -4.256102      7.984317     -0.283825
  H      -7.159785      6.463830     -3.495074
  H      -8.656773      4.433805     -3.682547
  H      -8.705494      2.801225     -1.796216
  H      -6.614481      0.740752      8.661529
  H      -6.911172      0.939792      6.923716
  H      -6.562331      3.559200      7.548441
  H      -7.177375      3.019050      9.120944
  H      -9.047901      3.760462      7.699884
  H      -9.179411      1.986657      7.914137
  H     -11.065745      2.907553      6.801944
  H     -12.925877      2.672752      5.192171
  H     -11.134182      1.701955      1.079784
  H      -8.769202      1.372892      0.227936
  H      -6.880614      1.551116      1.841683
  N      -5.700363      1.885437      4.840538
  H      -6.683829      1.911299      4.345776
100
Coordinates from ORCA-job orca E -6429.411815146854
  N      -3.093180      0.547755      5.021841
  Mo     -4.268072      1.947918      5.766560
  N      -5.022941      1.515428      7.539451
  C      -4.212349      1.576792      8.754100
  C      -2.765237      1.269338      8.414811
  N      -2.390514      2.022988      7.199573
  C      -1.287533      1.389044      6.446344
  C      -1.827973      0.201547      5.675492
  C      -2.147635      3.453580      7.468661
  C      -2.419396      4.254207      6.209927
  N      -3.674685      3.826209      5.570626
  H      -1.076461     -0.105613      4.930175
  H      -1.983247     -0.673436      6.335946
  H      -0.897730      2.133407      5.738202
  H      -0.463099      1.095259      7.119091
  H      -2.489011      5.319954      6.485186
  H      -1.585541      4.175266      5.487736
  H      -2.851218      3.769314      8.251001
  H      -1.122557      3.621932      7.843142
  H      -4.580004      0.837958      9.486756
  H      -4.305594      2.568628      9.237292
  H      -2.669619      0.199370      8.185742
  H      -2.087311      1.504012      9.253635
  C      -3.489180     -0.455700      4.020426
  C      -2.654751     -0.429381      2.732222
  C      -2.928617      0.758585      1.827634
  O      -4.318411      0.671946      1.413480
  C      -4.676731      0.917686      0.127695
  C      -5.680431      0.124599     -0.406510
  C      -6.139011      0.364235     -1.715409
  N      -5.683025      1.320878     -2.509668
  C      -4.713683      2.128647     -1.993817
  C      -4.236260      3.205360     -2.781962
  C      -3.294839      4.062460     -2.260084
  C      -2.823804      3.836447     -0.946554
  N      -3.227206      2.840723     -0.172675
  C      -4.160364      1.985063     -0.675799
  C      -4.281520      4.983047      4.881740
  C      -5.333378      4.733473      3.813881
  C      -4.775044      4.035591      2.580417
  O      -5.718151      4.045166      1.493784
  C      -5.672650      5.057200      0.607186
  C      -4.881833      6.193432      0.706427
  C      -4.891868      7.133931     -0.345296
  N      -5.607348      7.034982     -1.453545
  C      -6.411281      5.935062     -1.556755
  C      -7.201187      5.767659     -2.720864
  C      -8.010945      4.659660     -2.834128
  C      -8.034086      3.722231     -1.776763
  N      -7.311716      3.830382     -0.673451
  C      -6.502962      4.916080     -0.555865
  C      -6.462212      1.417810      7.799374
  C      -7.136935      2.781811      8.061588
  C      -8.552784      2.824906      7.517740
  O      -8.431115      2.634114      6.092944
  C      -9.543686      2.518971      5.344767
  C     -10.845305      2.699214      5.782784
  C     -11.901433      2.555245      4.854838
  N     -11.757252      2.255405      3.574379
  C     -10.479913      2.065340      3.131644
  C     -10.258382      1.732453      1.771510
  C      -8.972633      1.533686      1.320642
  C      -7.902819      1.655170      2.230290
  N      -8.067465      1.958721      3.510646
  C      -9.331469      2.176090      3.972188
  H      -3.400967     -1.456809      4.481404
  H      -4.545354     -0.305724      3.770344
  H      -1.577789     -0.440952      2.963423
  H      -2.860811     -1.356346      2.174069
  H      -2.277622      0.738756      0.945311
  H      -2.771693      1.716739      2.344191
  H      -6.096308     -0.689169      0.188639
  H      -6.919915     -0.281434     -2.130274
  H      -4.650979      3.332950     -3.782971
  H      -2.920532      4.911678     -2.832518
  H      -2.083574      4.516252     -0.513175
  H      -3.454635      5.549832      4.413233
  H      -4.706177      5.649136      5.656001
  H      -5.717360      5.723703      3.521478
  H      -6.188390      4.169392      4.212480
  H      -4.595439      2.972156      2.768747
  H      -3.822024      4.481956      2.257300
  H      -4.242642      6.377436      1.568170
  H      -4.256674      8.021696     -0.256804
  H      -7.141460      6.529959     -3.499347
  H      -8.629570      4.496833     -3.717515
  H      -8.677972      2.839950     -1.851952
  H      -6.626534      0.744771      8.658336
  H      -6.929196      0.955172      6.922778
  H      -6.551506      3.567865      7.559000
  H      -7.160715      3.026581      9.133587
  H      -9.032913      3.794850      7.723869
  H      -9.182008      2.021928      7.938213
  H     -11.071263      2.957033      6.816181
  H     -12.928037      2.702176      5.204964
  H     -11.126030      1.647539      1.115413
  H      -8.759036      1.292053      0.280844
  H      -6.875246      1.507717      1.894935
  N      -5.702106      1.856079      4.827216
  H      -6.681761      1.865137      4.325550
100
Coordinates from ORCA-job orca E -6429.412031020101
  N      -3.097364      0.557410      5.020624
  Mo     -4.264050      1.960172      5.773084
  N      -5.015692      1.521153      7.545284
  C      -4.203929      1.580339      8.759282
  C      -2.757400      1.271434      8.417069
  N      -2.382755      2.025484      7.201827
  C      -1.284865      1.388582      6.443215
  C      -1.832176      0.204754      5.670918
  C      -2.133334      3.454549      7.473152
  C      -2.406091      4.259761      6.217406
  N      -3.664047      3.836607      5.580357
  H      -1.083455     -0.104411      4.923652
  H      -1.989700     -0.670750      6.330169
  H      -0.894935      2.133098      5.735345
  H      -0.459056      1.090162      7.112239
  H      -2.472423      5.324812      6.496203
  H      -1.574432      4.180840      5.492630
  H      -2.832961      3.771188      8.258655
  H      -1.106318      3.618044      7.844576
  H      -4.571062      0.840149      9.490854
  H      -4.296207      2.571322      9.244377
  H      -2.663864      0.201539      8.186949
  H      -2.077795      1.503842      9.255189
  C      -3.502701     -0.443531      4.020492
  C      -2.673348     -0.422494      2.729172
  C      -2.938577      0.771131      1.829504
  O      -4.332292      0.704459      1.424648
  C      -4.692345      0.945294      0.138505
  C      -5.708247      0.162264     -0.387146
  C      -6.164115      0.395944     -1.698145
  N      -5.694024      1.337450     -2.502182
  C      -4.713643      2.136933     -1.994176
  C      -4.221674      3.199391     -2.792510
  C      -3.270130      4.049820     -2.277853
  C      -2.803606      3.831144     -0.961500
  N      -3.219518      2.847432     -0.178891
  C      -4.162635      1.998762     -0.674667
  C      -4.268814      4.994730      4.892094
  C      -5.326758      4.743885      3.830269
  C      -4.777190      4.034836      2.599255
  O      -5.725166      4.040754      1.516673
  C      -5.678568      5.046147      0.622675
  C      -4.886171      6.181985      0.714201
  C      -4.894375      7.115212     -0.343991
  N      -5.608957      7.008960     -1.452125
  C      -6.414123      5.909263     -1.548098
  C      -7.201291      5.733696     -2.712755
  C      -8.011050      4.625119     -2.820007
  C      -8.037411      3.695533     -1.755876
  N      -7.317777      3.811492     -0.651329
  C      -6.508675      4.897753     -0.539795
  C      -6.454816      1.414066      7.802124
  C      -7.140862      2.773884      8.054551
  C      -8.554390      2.804746      7.502518
  O      -8.428031      2.614142      6.077393
  C      -9.540323      2.498410      5.328521
  C     -10.841488      2.673405      5.770082
  C     -11.899438      2.535665      4.843371
  N     -11.757561      2.248701      3.559845
  C     -10.480959      2.065448      3.112336
  C     -10.262746      1.751246      1.747234
  C      -8.978007      1.561564      1.289559
  C      -7.906040      1.672332      2.197770
  N      -8.067810      1.958341      3.482710
  C      -9.330543      2.168013      3.951597
  H      -3.419585     -1.445243      4.481104
  H      -4.558778     -0.286438      3.773937
  H      -1.595512     -0.445585      2.955671
  H      -2.891095     -1.345737      2.169297
  H      -2.293785      0.746039      0.942902
  H      -2.766261      1.725524      2.348129
  H      -6.134897     -0.640086      0.215858
  H      -6.954309     -0.242472     -2.106631
  H      -4.633665      3.322324     -3.795198
  H      -2.884758      4.888869     -2.857902
  H      -2.056393      4.506504     -0.533320
  H      -3.441940      5.556586      4.417643
  H      -4.687220      5.664754      5.666304
  H      -5.708068      5.733738      3.533239
  H      -6.182165      4.185869      4.236431
  H      -4.601366      2.971804      2.793768
  H      -3.823523      4.474701      2.269065
  H      -4.247293      6.371145      1.575060
  H      -4.258380      8.002932     -0.261258
  H      -7.138850      6.490026     -3.496837
  H      -8.627015      4.455671     -3.703999
  H      -8.680172      2.812308     -1.827377
  H      -6.617293      0.743120      8.663141
  H      -6.915197      0.944551      6.925747
  H      -6.558349      3.562356      7.552353
  H      -7.172304      3.022638      9.125435
  H      -9.042922      3.771014      7.706109
  H      -9.179511      1.997700      7.921436
  H     -11.065742      2.923094      6.805873
  H     -12.925457      2.678606      5.196809
  H     -11.132259      1.673567      1.092704
  H      -8.767079      1.335146      0.245551
  H      -6.878899      1.530429      1.857787
  N      -5.702634      1.878868      4.840240
  H      -6.686047      1.898404      4.345314
100
Coordinates from ORCA-job orca E -6429.412014196380
  N      -3.096145      0.553865      5.020920
  Mo     -4.260733      1.959202      5.771797
  N      -5.020205      1.522011      7.541319
  C      -4.212140      1.577813      8.757933
  C      -2.765701      1.263131      8.420564
  N      -2.383782      2.015969      7.206829
  C      -1.285765      1.374823      6.452002
  C      -1.835295      0.194470      5.676062
  C      -2.129262      3.444030      7.479046
  C      -2.394908      4.250472      6.222518
  N      -3.653734      3.833559      5.583116
  H      -1.084970     -0.117087      4.931404
  H      -1.999570     -0.681161      6.333466
  H      -0.889489      2.118228      5.746480
  H      -0.464069      1.071925      7.124056
  H      -2.456464      5.315907      6.500980
  H      -1.562035      4.167211      5.499617
  H      -2.829857      3.763594      8.262515
  H      -1.102671      3.603190      7.853507
  H      -4.584718      0.839181      9.488317
  H      -4.301850      2.569151      9.242801
  H      -2.675740      0.192917      8.190421
  H      -2.088039      1.492535      9.261081
  C      -3.499424     -0.442045      4.014926
  C      -2.665012     -0.416549      2.726838
  C      -2.929845      0.777444      1.827501
  O      -4.320588      0.703487      1.413825
  C      -4.677401      0.953891      0.128654
  C      -5.686364      0.168370     -0.406791
  C      -6.139712      0.409481     -1.717200
  N      -5.673931      1.360912     -2.511949
  C      -4.700491      2.162684     -1.994443
  C      -4.213884      3.235220     -2.782578
  C      -3.269145      4.087542     -2.258751
  C      -2.803795      3.860595     -0.943401
  N      -3.215263      2.867899     -0.169827
  C      -4.151920      2.017227     -0.674565
  C      -4.251824      4.993970      4.893244
  C      -5.319134      4.746461      3.840053
  C      -4.784253      4.024798      2.609978
  O      -5.740960      4.027523      1.535104
  C      -5.696242      5.025360      0.632568
  C      -4.895145      6.156341      0.706780
  C      -4.908312      7.081322     -0.358574
  N      -5.635521      6.971371     -1.458078
  C      -6.448910      5.876385     -1.537005
  C      -7.249669      5.697094     -2.691779
  C      -8.067718      4.593051     -2.781731
  C      -8.088752      3.671916     -1.710145
  N      -7.356699      3.791701     -0.614226
  C      -6.539334      4.873327     -0.519947
  C      -6.460642      1.421529      7.794009
  C      -7.140971      2.784689      8.044436
  C      -8.553173      2.822091      7.489572
  O      -8.423622      2.626140      6.065664
  C      -9.533345      2.517774      5.311951
  C     -10.834880      2.712421      5.743947
  C     -11.888510      2.581667      4.811220
  N     -11.742024      2.284018      3.530590
  C     -10.465033      2.080672      3.092938
  C     -10.241450      1.754025      1.731621
  C      -8.956170      1.543236      1.284685
  C      -7.889322      1.644407      2.200071
  N      -8.056353      1.942285      3.481539
  C      -9.319187      2.173902      3.939296
  H      -3.419257     -1.445803      4.471576
  H      -4.554422     -0.282636      3.765152
  H      -1.588102     -0.437003      2.957908
  H      -2.877760     -1.339480      2.164559
  H      -2.279598      0.756471      0.944754
  H      -2.765109      1.731889      2.348445
  H      -6.109279     -0.641883      0.188226
  H      -6.924165     -0.231080     -2.133348
  H      -4.624544      3.363883     -3.785095
  H      -2.888075      4.933895     -2.830982
  H      -2.061013      4.536550     -0.508353
  H      -3.422827      5.545905      4.410818
  H      -4.659301      5.671449      5.666780
  H      -5.694498      5.737600      3.539883
  H      -6.176081      4.197914      4.255831
  H      -4.613422      2.962213      2.811477
  H      -3.830500      4.455764      2.268307
  H      -4.245925      6.347786      1.559342
  H      -4.265536      7.965326     -0.289558
  H      -7.190617      6.446848     -3.482406
  H      -8.694042      4.420756     -3.657855
  H      -8.737549      2.792114     -1.768175
  H      -6.628607      0.751698      8.654836
  H      -6.920877      0.953798      6.916584
  H      -6.553749      3.569936      7.542665
  H      -7.173201      3.034486      9.115049
  H      -9.036561      3.791805      7.689027
  H      -9.183923      2.019829      7.909236
  H     -11.062443      2.973081      6.776307
  H     -12.914832      2.740832      5.156746
  H     -11.107224      1.683927      1.071310
  H      -8.741057      1.306692      0.243738
  H      -6.861848      1.484595      1.869098
  N      -5.695519      1.883987      4.832776
  H      -6.676301      1.902414      4.332062
100
Coordinates from ORCA-job orca E -6429.412033856043
  N      -3.092402      0.552789      5.024252
  Mo     -4.259080      1.957402      5.773161
  N      -5.017234      1.521592      7.543406
  C      -4.209031      1.580502      8.759763
  C      -2.762146      1.267848      8.422323
  N      -2.381953      2.019784      7.207448
  C      -1.282904      1.379779      6.453106
  C      -1.830327      0.197145      5.679071
  C      -2.130265      3.448669      7.477861
  C      -2.397903      4.253106      6.220497
  N      -3.655709      3.832725      5.581374
  H      -1.079766     -0.113828      4.934400
  H      -1.992255     -0.677903      6.337835
  H      -0.888333      2.122999      5.746433
  H      -0.460374      1.079486      7.125318
  H      -2.461905      5.318683      6.497882
  H      -1.564841      4.171098      5.497678
  H      -2.831363      3.767698      8.261089
  H      -1.103939      3.610375      7.851942
  H      -4.580137      0.842248      9.491282
  H      -4.300313      2.572373      9.243254
  H      -2.670425      0.197502      8.193502
  H      -2.084581      1.499528      9.262291
  C      -3.495430     -0.446439      4.021473
  C      -2.664190     -0.422145      2.731361
  C      -2.933162      0.769951      1.830751
  O      -4.325574      0.694940      1.422891
  C      -4.687041      0.941329      0.138234
  C      -5.699409      0.155752     -0.390636
  C      -6.157750      0.393722     -1.699919
  N      -5.693498      1.341897     -2.499469
  C      -4.716475      2.143486     -1.988442
  C      -4.230665      3.212370     -2.782008
  C      -3.282052      4.064356     -2.264650
  C      -2.812133      3.840800     -0.950332
  N      -3.222696      2.851558     -0.171882
  C      -4.163040      2.001238     -0.670297
  C      -4.256897      4.992064      4.892132
  C      -5.319796      4.743809      3.834654
  C      -4.777603      4.031757      2.602094
  O      -5.731005      4.036603      1.524285
  C      -5.689428      5.041171      0.629113
  C      -4.895950      6.176743      0.714368
  C      -4.911501      7.109424     -0.344215
  N      -5.634305      7.002959     -1.446981
  C      -6.440381      5.903395     -1.536662
  C      -7.236218      5.727504     -2.695371
  C      -8.046898      4.618975     -2.796144
  C      -8.065500      3.689836     -1.731427
  N      -7.337725      3.806170     -0.632325
  C      -6.527635      4.892285     -0.527354
  C      -6.457552      1.419382      7.795871
  C      -7.140085      2.782042      8.042974
  C      -8.551848      2.816870      7.486560
  O      -8.421769      2.621912      6.062384
  C      -9.531907      2.510724      5.309582
  C     -10.833539      2.698195      5.744495
  C     -11.888402      2.564529      4.813638
  N     -11.743115      2.270319      3.532107
  C     -10.466077      2.074282      3.091338
  C     -10.244062      1.751448      1.728828
  C      -8.958843      1.548158      1.278353
  C      -7.890360      1.653700      2.191285
  N      -8.055806      1.948274      3.473747
  C      -9.318789      2.171540      3.935411
  H      -3.412280     -1.448979      4.480262
  H      -4.551251     -0.289727      3.773572
  H      -1.586647     -0.440881      2.959580
  H      -2.877378     -1.346303      2.171260
  H      -2.286351      0.747547      0.945502
  H      -2.766889      1.725518      2.349138
  H      -6.121322     -0.651883      0.208634
  H      -6.945071     -0.246664     -2.110887
  H      -4.644937      3.338616     -3.783345
  H      -2.901394      4.908011     -2.841117
  H      -2.066461      4.516772     -0.520325
  H      -3.428815      5.548954      4.413866
  H      -4.669641      5.665762      5.666190
  H      -5.699276      5.734535      3.538310
  H      -6.175238      4.188900      4.245029
  H      -4.602452      2.968870      2.797876
  H      -3.824893      4.469332      2.265935
  H      -4.250879      6.366163      1.570525
  H      -4.274617      7.996972     -0.266531
  H      -7.179430      6.483458     -3.480240
  H      -8.669333      4.449204     -3.675527
  H      -8.708655      2.806476     -1.797928
  H      -6.624866      0.750910      8.657884
  H      -6.916638      0.949303      6.919101
  H      -6.553344      3.567288      7.540630
  H      -7.173861      3.033508      9.113148
  H      -9.037074      3.785663      7.686008
  H      -9.181535      2.013483      7.905657
  H     -11.060356      2.954849      6.778028
  H     -12.914783      2.717670      5.161700
  H     -11.111038      1.678196      1.070441
  H      -8.744930      1.314698      0.236503
  H      -6.862833      1.500254      1.857429
  N      -5.694612      1.877466      4.835641
  H      -6.676455      1.893705      4.336559
100
Coordinates from ORCA-job orca E -6429.412033179947
  N      -3.098776      0.560139      5.018533
  Mo     -4.265615      1.961021      5.774246
  N      -5.016847      1.517677      7.545574
  C      -4.205075      1.574856      8.759648
  C      -2.758437      1.267158      8.416752
  N      -2.384208      2.023764      7.202983
  C      -1.286397      1.388713      6.442721
  C      -1.833540      0.206362      5.668034
  C      -2.135105      3.452331      7.477203
  C      -2.408011      4.260116      6.223117
  N      -3.665676      3.837823      5.584986
  H      -1.084773     -0.101149      4.920111
  H      -1.990903     -0.670519      6.325500
  H      -0.896939      2.134836      5.736288
  H      -0.460266      1.089126      7.110825
  H      -2.474806      5.324583      6.504095
  H      -1.576248      4.183001      5.498254
  H      -2.834802      3.767166      8.263357
  H      -1.108125      3.615317      7.848962
  H      -4.571945      0.833164      9.489839
  H      -4.297674      2.564909      9.246577
  H      -2.664432      0.197746      8.184609
  H      -2.078900      1.498261      9.255284
  C      -3.503606     -0.438304      4.015736
  C      -2.672964     -0.414974      2.725265
  C      -2.937671      0.779752      1.826744
  O      -4.331037      0.713172      1.420736
  C      -4.690058      0.952397      0.134031
  C      -5.705134      0.168148     -0.391426
  C      -6.159922      0.399626     -1.703182
  N      -5.689444      1.340070     -2.508215
  C      -4.710056      2.140916     -2.000382
  C      -4.218048      3.202464     -2.799825
  C      -3.267823      4.054537     -2.285409
  C      -2.802728      3.838436     -0.968145
  N      -3.218679      2.855512     -0.184484
  C      -4.160355      2.005175     -0.680065
  C      -4.269024      4.996419      4.896291
  C      -5.327227      4.745879      3.834665
  C      -4.778484      4.034153      2.604845
  O      -5.726554      4.038102      1.522424
  C      -5.678588      5.040359      0.625026
  C      -4.884069      6.175077      0.711975
  C      -4.891467      7.104602     -0.349509
  N      -5.606979      6.995519     -1.456816
  C      -6.413978      5.896786     -1.548358
  C      -7.201907      5.717987     -2.712026
  C      -8.013436      4.610219     -2.814714
  C      -8.040915      3.684810     -1.746969
  N      -7.320543      3.803851     -0.643283
  C      -6.509623      4.889179     -0.536313
  C      -6.455992      1.410680      7.802397
  C      -7.141184      2.770519      8.057092
  C      -8.554536      2.803499      7.504802
  O      -8.427924      2.613858      6.079581
  C      -9.540059      2.501651      5.329974
  C     -10.840930      2.681292      5.770485
  C     -11.898628      2.547331      4.842921
  N     -11.756751      2.259830      3.559510
  C     -10.480465      2.071816      3.113058
  C     -10.262238      1.756767      1.748149
  C      -8.977838      1.562146      1.291581
  C      -7.906265      1.668688      2.200801
  N      -8.068125      1.955553      3.485534
  C      -9.330416      2.170143      3.953307
  H      -3.421254     -1.441020      4.474302
  H      -4.559368     -0.280342      3.768482
  H      -1.595316     -0.438195      2.952791
  H      -2.889920     -1.337466      2.163834
  H      -2.292195      0.755806      0.940638
  H      -2.766058      1.733606      2.346575
  H      -6.131942     -0.633523      0.212377
  H      -6.949430     -0.239792     -2.111440
  H      -4.628836      3.323331     -3.803248
  H      -2.882488      4.892999     -2.866331
  H      -2.056532      4.515127     -0.540285
  H      -3.441442      5.556970      4.421465
  H      -4.686561      5.667398      5.670132
  H      -5.707356      5.735754      3.536308
  H      -6.183270      4.189426      4.241586
  H      -4.603593      2.971399      2.801569
  H      -3.824422      4.472522      2.273514
  H      -4.244144      6.366053      1.571666
  H      -4.253953      7.991558     -0.270377
  H      -7.138552      6.471177     -3.499050
  H      -8.629893      4.438231     -3.697872
  H      -8.684845      2.802151     -1.814857
  H      -6.618765      0.738350      8.662282
  H      -6.916636      0.942926      6.925234
  H      -6.557994      3.559366      7.556263
  H      -7.172573      3.017582      9.128365
  H      -9.041945      3.770156      7.709213
  H      -9.180747      1.996791      7.922755
  H     -11.065100      2.931812      6.806102
  H     -12.924409      2.694085      5.195491
  H     -11.131478      1.682353      1.092882
  H      -8.766932      1.334693      0.247815
  H      -6.879373      1.522693      1.861916
  N      -5.704294      1.881197      4.841493
  H      -6.688048      1.900914      4.346599
100
Coordinates from ORCA-job orca E -6429.412035329206
  N      -3.095370      0.558587      5.020354
  Mo     -4.262732      1.960212      5.773850
  N      -5.016902      1.518350      7.544310
  C      -4.206792      1.575760      8.759489
  C      -2.759820      1.267033      8.418841
  N      -2.383346      2.022750      7.205184
  C      -1.284664      1.386718      6.446988
  C      -1.831281      0.204384      5.671917
  C      -2.133879      3.451366      7.478854
  C      -2.404725      4.258534      6.223925
  N      -3.661953      3.836713      5.584657
  H      -1.081555     -0.103817      4.925252
  H      -1.990105     -0.672137      6.329500
  H      -0.893517      2.132285      5.740897
  H      -0.459848      1.086892      7.116609
  H      -2.471155      5.323206      6.504223
  H      -1.572149      4.180498      5.500092
  H      -2.834454      3.767064      8.263886
  H      -1.107313      3.614030      7.851882
  H      -4.575130      0.834753      9.489632
  H      -4.299457      2.566160      9.245710
  H      -2.666133      0.197446      8.187350
  H      -2.081350      1.498159      9.258231
  C      -3.499394     -0.440352      4.017714
  C      -2.669167     -0.416403      2.726984
  C      -2.936443      0.777213      1.827792
  O      -4.329925      0.707504      1.422674
  C      -4.691010      0.947742      0.136743
  C      -5.705600      0.162398     -0.388075
  C      -6.162654      0.394495     -1.698913
  N      -5.694896      1.336568     -2.503618
  C      -4.715926      2.138316     -1.996456
  C      -4.226620      3.201351     -2.795614
  C      -3.276569      4.054054     -2.281959
  C      -2.808889      3.837109     -0.965747
  N      -3.222414      2.852996     -0.182310
  C      -4.163953      2.002015     -0.677123
  C      -4.264653      4.995628      4.895968
  C      -5.324171      4.745837      3.835464
  C      -4.777206      4.034327      2.604719
  O      -5.726867      4.038549      1.523668
  C      -5.681228      5.041862      0.627337
  C      -4.887711      6.177275      0.714395
  C      -4.898088      7.108288     -0.345741
  N      -5.615726      7.000164     -1.451751
  C      -6.421776      5.900738     -1.543333
  C      -7.211935      5.722944     -2.705640
  C      -8.022491      4.614489     -2.808395
  C      -8.046748      3.687356     -1.742056
  N      -7.324278      3.805454     -0.639647
  C      -6.514286      4.891474     -0.532659
  C      -6.456519      1.412420      7.799182
  C      -7.141311      2.772854      8.052029
  C      -8.554056      2.806439      7.498152
  O      -8.425959      2.615770      6.073212
  C      -9.537173      2.504332      5.322089
  C     -10.838486      2.686531      5.760216
  C     -11.894814      2.553278      4.830969
  N     -11.751212      2.264218      3.548085
  C     -10.474480      2.073569      3.104055
  C     -10.254311      1.756679      1.739871
  C      -8.969414      1.559197      1.285884
  C      -7.899336      1.664674      2.196988
  N      -8.063050      1.953450      3.481030
  C      -9.325775      2.170907      3.946214
  H      -3.416223     -1.442961      4.476364
  H      -4.555320     -0.283245      3.770582
  H      -1.591422     -0.437622      2.954147
  H      -2.884764     -1.339585      2.166174
  H      -2.291414      0.753718      0.941327
  H      -2.766334      1.731804      2.346751
  H      -6.130196     -0.640616      0.215498
  H      -6.951757     -0.245736     -2.106685
  H      -4.639319      3.322780     -3.798187
  H      -2.893223      4.893545     -2.862710
  H      -2.062622      4.514165     -0.538555
  H      -3.436911      5.555250      4.420324
  H      -4.680922      5.667235      5.669948
  H      -5.704284      5.735953      3.537894
  H      -6.179950      4.189584      4.243244
  H      -4.602094      2.971524      2.801043
  H      -3.823633      4.472707      2.272025
  H      -4.246407      6.367752      1.573160
  H      -4.261323      7.995779     -0.266549
  H      -7.150978      6.477424     -3.491618
  H      -8.640584      4.443242     -3.690552
  H      -8.689827      2.804077     -1.810065
  H      -6.620834      0.740796      8.659323
  H      -6.916268      0.944266      6.921748
  H      -6.557052      3.560952      7.551261
  H      -7.173779      3.020764      9.123072
  H      -9.040948      3.773616      7.701330
  H      -9.181349      2.000483      7.915920
  H     -11.064015      2.938580      6.795162
  H     -12.920944      2.702170      5.181611
  H     -11.122458      1.683216      1.083052
  H      -8.756975      1.330306      0.242733
  H      -6.872048      1.516186      1.860261
  N      -5.699835      1.880399      4.838697
  H      -6.682667      1.898971      4.341732
100
Coordinates from ORCA-job orca E -6429.412035257721
  N      -3.095105      0.556505      5.021608
  Mo     -4.262047      1.959146      5.773838
  N      -5.017049      1.519311      7.544433
  C      -4.207271      1.577252      8.759799
  C      -2.760419      1.267264      8.419819
  N      -2.383086      2.021718      7.205629
  C      -1.284454      1.384371      6.448469
  C      -1.831481      0.201906      5.673880
  C      -2.132873      3.450450      7.478111
  C      -2.402982      4.256687      6.222432
  N      -3.660449      3.835228      5.583413
  H      -1.081643     -0.107076      4.927643
  H      -1.991049     -0.674184      6.331853
  H      -0.892314      2.129173      5.742117
  H      -0.460245      1.084406      7.118778
  H      -2.468680      5.321648      6.501804
  H      -1.570368      4.177469      5.498777
  H      -2.833489      3.767228      8.262671
  H      -1.106327      3.612846      7.851289
  H      -4.576320      0.837165      9.490512
  H      -4.299367      2.568147      9.245126
  H      -2.667424      0.197431      8.189171
  H      -2.082006      1.498603      9.259195
  C      -3.498767     -0.442286      4.018672
  C      -2.667702     -0.418239      2.728464
  C      -2.935139      0.774843      1.828627
  O      -4.328032      0.703329      1.421815
  C      -4.688422      0.945692      0.136075
  C      -5.701098      0.159458     -0.391156
  C      -6.157585      0.393379     -1.701855
  N      -5.691090      1.338076     -2.504213
  C      -4.713970      2.140560     -1.994699
  C      -4.226106      3.206192     -2.791301
  C      -3.277901      4.059505     -2.275283
  C      -2.810634      3.840624     -0.959239
  N      -3.222952      2.854219     -0.178069
  C      -4.162638      2.002534     -0.675270
  C      -4.262725      4.994153      4.894377
  C      -5.323188      4.744729      3.834733
  C      -4.777678      4.032797      2.603553
  O      -5.728428      4.037197      1.523455
  C      -5.683663      5.040662      0.627251
  C      -4.889521      6.175713      0.713372
  C      -4.901206      7.107035     -0.346467
  N      -5.620748      6.999645     -1.451301
  C      -6.427427      5.900599     -1.541922
  C      -7.219705      5.723626     -2.702915
  C      -8.030909      4.615576     -2.804705
  C      -8.053676      3.688001     -1.738705
  N      -7.329270      3.805359     -0.637497
  C      -6.518626      4.890995     -0.531478
  C      -6.456837      1.414728      7.798899
  C      -7.140719      2.775974      8.049861
  C      -8.553207      2.810147      7.495339
  O      -8.424745      2.618036      6.070610
  C      -9.535810      2.506735      5.319232
  C     -10.837093      2.690603      5.756745
  C     -11.893234      2.557353      4.827293
  N     -11.749492      2.266786      3.544763
  C     -10.472812      2.074387      3.101372
  C     -10.252507      1.755708      1.737616
  C      -8.967671      1.556287      1.284308
  C      -7.897810      1.661699      2.195662
  N      -8.061634      1.952280      3.479266
  C      -9.324285      2.171577      3.943799
  H      -3.416001     -1.444963      4.477247
  H      -4.554521     -0.284978      3.770924
  H      -1.590128     -0.438732      2.956414
  H      -2.882360     -1.341724      2.167792
  H      -2.289039      0.751648      0.942926
  H      -2.766647      1.729834      2.347355
  H      -6.124535     -0.645688      0.210380
  H      -6.945136     -0.247537     -2.111560
  H      -4.638468      3.329032     -3.793842
  H      -2.895678      4.900866     -2.854065
  H      -2.065746      4.518062     -0.530229
  H      -3.434862      5.552953      4.417990
  H      -4.678070      5.666456      5.668257
  H      -5.703009      5.735027      3.537376
  H      -6.178940      4.188975      4.243265
  H      -4.602820      2.969981      2.800021
  H      -3.824286      4.470746      2.269780
  H      -4.246764      6.365700      1.571155
  H      -4.263888      7.994202     -0.268043
  H      -7.159802      6.478398     -3.488693
  H      -8.650623      4.444971     -3.685849
  H      -8.697191      2.804988     -1.806012
  H      -6.621954      0.744192      8.659734
  H      -6.916613      0.945921      6.921816
  H      -6.555606      3.563007      7.548408
  H      -7.173451      3.025154      9.120601
  H      -9.039319      3.777966      7.697339
  H      -9.181387      2.005165      7.913639
  H     -11.062725      2.943948      6.791351
  H     -12.919331      2.707590      5.177453
  H     -11.120486      1.682493      1.080543
  H      -8.755092      1.325974      0.241497
  H      -6.870551      1.511547      1.859550
  N      -5.698949      1.879184      4.838378
  H      -6.681739      1.896811      4.341149
100
Coordinates from ORCA-job orca E -6429.412035446723
  N      -3.095427      0.558579      5.020468
  Mo     -4.262776      1.960176      5.774032
  N      -5.016940      1.518226      7.544472
  C      -4.206833      1.575555      8.759659
  C      -2.759863      1.266874      8.418974
  N      -2.383434      2.022665      7.205345
  C      -1.284729      1.386703      6.447131
  C      -1.831302      0.204405      5.671971
  C      -2.134026      3.451286      7.479077
  C      -2.404840      4.258506      6.224180
  N      -3.661982      3.836659      5.584784
  H      -1.081559     -0.103652      4.925260
  H      -1.990043     -0.672194      6.329471
  H      -0.893550      2.132333      5.741122
  H      -0.459931      1.086839      7.116760
  H      -2.471365      5.323155      6.504553
  H      -1.572209      4.180601      5.500396
  H      -2.834677      3.766916      8.264067
  H      -1.107498      3.613969      7.852191
  H      -4.575164      0.834504      9.489759
  H      -4.299495      2.565921      9.245950
  H      -2.666167      0.197307      8.187393
  H      -2.081370      1.497963      9.258355
  C      -3.499355     -0.440260      4.017691
  C      -2.668925     -0.416258      2.727085
  C      -2.936364      0.777142      1.827651
  O      -4.329745      0.706968      1.422278
  C      -4.690668      0.947153      0.136281
  C      -5.704575      0.161156     -0.388889
  C      -6.161433      0.393090     -1.699826
  N      -5.694103      1.335580     -2.504290
  C      -4.715825      2.137945     -1.996777
  C      -4.227050      3.201419     -2.795677
  C      -3.277766      4.054748     -2.281639
  C      -2.810355      3.838030     -0.965292
  N      -3.223405      2.853538     -0.182078
  C      -4.164132      2.001892     -0.677306
  C      -4.264567      4.995539      4.895932
  C      -5.323947      4.745772      3.835289
  C      -4.776871      4.034228      2.604591
  O      -5.726485      4.038361      1.523506
  C      -5.680891      5.041655      0.627156
  C      -4.887299      6.177030      0.714093
  C      -4.897809      7.108049     -0.346032
  N      -5.615666      7.000012     -1.451908
  C      -6.421795      5.900634     -1.543364
  C      -7.212219      5.722934     -2.705509
  C      -8.022880      4.614553     -2.808130
  C      -8.046977      3.687381     -1.741814
  N      -7.324258      3.805389     -0.639565
  C      -6.514154      4.891348     -0.532709
  C      -6.456563      1.412341      7.799342
  C      -7.141310      2.772796      8.052180
  C      -8.554026      2.806534      7.498234
  O      -8.425912      2.615990      6.073270
  C      -9.537130      2.504679      5.322138
  C     -10.838426      2.686949      5.760286
  C     -11.894765      2.553881      4.831031
  N     -11.751198      2.264930      3.548118
  C     -10.474492      2.074181      3.104071
  C     -10.254365      1.757369      1.739859
  C      -8.969499      1.559734      1.285845
  C      -7.899408      1.665021      2.196957
  N      -8.063078      1.953781      3.481004
  C      -9.325772      2.171349      3.946233
  H      -3.416304     -1.442914      4.476270
  H      -4.555227     -0.283062      3.770395
  H      -1.591221     -0.437240      2.954412
  H      -2.884261     -1.339547      2.166347
  H      -2.291165      0.753616      0.941310
  H      -2.766622      1.731912      2.346394
  H      -6.128732     -0.642265      0.214448
  H      -6.949985     -0.247639     -2.107889
  H      -4.639548      3.322671     -3.798353
  H      -2.894821      4.894558     -2.862194
  H      -2.064726      4.515614     -0.537822
  H      -3.436733      5.555128      4.420417
  H      -4.680965      5.667195      5.669801
  H      -5.704002      5.735903      3.537688
  H      -6.179784      4.189512      4.242936
  H      -4.601795      2.971449      2.801080
  H      -3.823301      4.472623      2.271922
  H      -4.245840      6.367485      1.572744
  H      -4.260966      7.995495     -0.266942
  H      -7.151383      6.477439     -3.491473
  H      -8.641182      4.443391     -3.690157
  H      -8.690121      2.804144     -1.809730
  H      -6.620889      0.740695      8.659464
  H      -6.916324      0.944222      6.921891
  H      -6.556966      3.560853      7.551444
  H      -7.173824      3.020693      9.123225
  H      -9.040791      3.773767      7.701454
  H      -9.181445      2.000629      7.915904
  H     -11.063931      2.938897      6.795262
  H     -12.920877      2.702836      5.181697
  H     -11.122515      1.684109      1.083019
  H      -8.757085      1.330875      0.242682
  H      -6.872128      1.516409      1.860254
  N      -5.699900      1.880313      4.838906
  H      -6.682829      1.898510      4.342001
100
Coordinates from ORCA-job orca E -6429.412034976821
  N      -3.095604      0.559323      5.020136
  Mo     -4.263007      1.960635      5.774152
  N      -5.016928      1.517956      7.544524
  C      -4.206728      1.575021      8.759667
  C      -2.759723      1.266746      8.418753
  N      -2.383572      2.022987      7.205320
  C      -1.284861      1.387460      6.446750
  C      -1.831318      0.205250      5.671371
  C      -2.134389      3.451560      7.479488
  C      -2.405356      4.259140      6.224857
  N      -3.662353      3.837202      5.585250
  H      -1.081607     -0.102487      4.924497
  H      -1.989797     -0.671534      6.328691
  H      -0.893960      2.133370      5.740884
  H      -0.459885      1.087581      7.116154
  H      -2.472165      5.323677      6.505598
  H      -1.572680      4.181698      5.501072
  H      -2.835084      3.766819      8.264589
  H      -1.107882      3.614297      7.852639
  H      -4.574848      0.833638      9.489536
  H      -4.299558      2.565199      9.246308
  H      -2.665823      0.197270      8.186840
  H      -2.081198      1.497721      9.258139
  C      -3.499663     -0.439514      4.017413
  C      -2.669403     -0.415618      2.726698
  C      -2.936790      0.777832      1.827312
  O      -4.330330      0.708137      1.422407
  C      -4.691390      0.947588      0.136310
  C      -5.705530      0.161510     -0.388276
  C      -6.162402      0.392711     -1.699344
  N      -5.694853      1.334537     -2.504457
  C      -4.716381      2.137026     -1.997503
  C      -4.227399      3.199870     -2.797108
  C      -3.277990      4.053386     -2.283600
  C      -2.810679      3.837493     -0.967084
  N      -3.223879      2.853558     -0.183244
  C      -4.164703      2.001729     -0.677954
  C      -4.264907      4.996069      4.896344
  C      -5.323936      4.746235      3.835365
  C      -4.776417      4.034698      2.604856
  O      -5.725703      4.038735      1.523490
  C      -5.679772      5.041902      0.627020
  C      -4.886134      6.177239      0.714051
  C      -4.896239      7.108108     -0.346209
  N      -5.613740      6.999957     -1.452306
  C      -6.419925      5.900628     -1.543857
  C      -7.209971      5.722805     -2.706240
  C      -8.020707      4.614489     -2.808952
  C      -8.045263      3.687499     -1.742489
  N      -7.322877      3.805606     -0.640032
  C      -6.512693      4.891503     -0.533081
  C      -6.456502      1.411594      7.799497
  C      -7.141593      2.771758      8.052938
  C      -8.554377      2.805313      7.499155
  O      -8.426354      2.615326      6.074108
  C      -9.537605      2.503929      5.323046
  C     -10.838924      2.685573      5.761389
  C     -11.895307      2.552489      4.832186
  N     -11.751763      2.264088      3.549146
  C     -10.475032      2.073976      3.104899
  C     -10.254923      1.757799      1.740538
  C      -8.970028      1.560835      1.286305
  C      -7.899880      1.666162      2.197348
  N      -8.063539      1.954319      3.481537
  C      -9.326265      2.171220      3.946989
  H      -3.416637     -1.442165      4.476006
  H      -4.555548     -0.282244      3.770217
  H      -1.591665     -0.436789      2.953848
  H      -2.884983     -1.338866      2.165983
  H      -2.291882      0.754082      0.940767
  H      -2.766597      1.732574      2.345957
  H      -6.129841     -0.641423      0.215601
  H      -6.951140     -0.248081     -2.106948
  H      -4.639836      3.320518     -3.799881
  H      -2.894877      4.892744     -2.864697
  H      -2.065005      4.515289     -0.540030
  H      -3.437008      5.555803      4.421114
  H      -4.681619      5.667612      5.670141
  H      -5.703973      5.736335      3.537638
  H      -6.179855      4.189898      4.242729
  H      -4.601350      2.971937      2.801457
  H      -3.822774      4.473164      2.272485
  H      -4.244931      6.367773      1.572877
  H      -4.259363      7.995522     -0.267042
  H      -7.148800      6.477176     -3.492306
  H      -8.638729      4.443241     -3.691158
  H      -8.688478      2.804323     -1.810468
  H      -6.620554      0.739564      8.659371
  H      -6.916223      0.943690      6.921911
  H      -6.557519      3.560169      7.552445
  H      -7.174069      3.019233      9.124082
  H      -9.041376      3.772344      7.702782
  H      -9.181538      1.999085      7.916588
  H     -11.064418      2.937033      6.796486
  H     -12.921437      2.700941      5.183011
  H     -11.123113      1.684478      1.083757
  H      -8.757637      1.332469      0.243029
  H      -6.872573      1.518121      1.860479
  N      -5.700198      1.880864      4.839119
  H      -6.683196      1.899093      4.342321
