101
Coordinates from ORCA-job orca E -6484.071389579066
  N      -2.889888      0.554319      4.654278
  Mo     -3.558285      2.372925      4.833364
  N      -4.873888      1.998412      6.206399
  C      -4.415329      1.786637      7.570361
  C      -2.993370      1.222056      7.561964
  N      -2.168413      1.975370      6.606675
  C      -1.057227      1.161611      6.104402
  C      -1.609664      0.097114      5.134634
  C      -1.661901      3.220517      7.201056
  C      -1.721162      4.285174      6.097961
  N      -3.026321      4.163270      5.494467
  H      -0.893619     -0.049194      4.313126
  H      -1.719957     -0.869309      5.649392
  H      -0.373433      1.822998      5.568014
  H      -0.513778      0.687172      6.931071
  H      -1.544021      5.281237      6.516691
  H      -0.941806      4.091508      5.346393
  H      -2.327943      3.528734      8.010502
  H      -0.650904      3.092945      7.600667
  H      -5.070868      1.077920      8.096300
  H      -4.446734      2.732100      8.133510
  H      -3.040289      0.180505      7.235956
  H      -2.554118      1.252466      8.566192
  C      -3.848583     -0.490341      4.427423
  C      -3.471455     -1.399772      3.243044
  C      -3.406462     -0.617948      1.937557
  O      -4.743359     -0.245000      1.578035
  C      -4.890934      0.183903      0.271756
  C      -5.668630     -0.553526     -0.602116
  C      -5.826446     -0.098591     -1.911224
  N      -5.271070      0.993863     -2.384043
  C      -4.513321      1.735059     -1.551604
  C      -3.918589      2.921881     -2.021608
  C      -3.164795      3.675999     -1.148891
  C      -3.020649      3.243781      0.168560
  N      -3.551660      2.135809      0.646696
  C      -4.289468      1.379496     -0.191089
  C      -3.937177      5.230364      5.830588
  C      -4.999684      5.387774      4.744543
  C      -4.362366      5.793022      3.411490
  O      -5.042880      5.217927      2.304011
  C      -6.272731      5.684510      1.944579
  C      -6.815823      6.899757      2.311568
  C      -8.037135      7.285093      1.756169
  N      -8.709585      6.584817      0.875747
  C      -8.214551      5.387735      0.511434
  C      -8.891786      4.619061     -0.458907
  C      -8.386272      3.383598     -0.786866
  C      -7.260429      2.916219     -0.106356
  N      -6.577642      3.610452      0.777596
  C      -7.019036      4.855730      1.061615
  C      -6.306232      1.905075      6.120218
  C      -7.058274      3.071437      6.803353
  C      -8.269421      3.473777      5.972279
  O      -7.803753      3.962147      4.708889
  C      -8.716246      3.802133      3.678360
  C      -9.676104      4.769547      3.428579
  C     -10.572517      4.571140      2.386320
  N     -10.587534      3.496394      1.624064
  C      -9.680976      2.529851      1.865315
  C      -9.701977      1.353571      1.095357
  C      -8.779059      0.358285      1.369688
  C      -7.834256      0.573244      2.359595
  N      -7.766866      1.672386      3.103233
  C      -8.688839      2.639428      2.879493
  H      -3.956553     -1.129308      5.324342
  H      -4.818993     -0.026441      4.211776
  H      -2.498720     -1.858921      3.419213
  H      -4.219579     -2.187603      3.145519
  H      -2.984218     -1.242939      1.140714
  H      -2.789929      0.284531      2.049023
  H      -6.141638     -1.462963     -0.266838
  H      -6.428252     -0.656378     -2.616133
  H      -4.075301      3.211067     -3.048843
  H      -2.694354      4.592307     -1.469435
  H      -2.436808      3.809291      0.881980
  H      -3.389199      6.179075      5.926271
  H      -4.442751      5.038815      6.794096
  H      -5.751533      6.115905      5.052258
  H      -5.496953      4.422276      4.603333
  H      -3.356627      5.360358      3.343312
  H      -4.289020      6.879927      3.301213
  H      -6.316073      7.565219      2.995546
  H      -8.481262      8.232460      2.030792
  H      -9.784436      5.018241     -0.912124
  H      -8.855925      2.761468     -1.531492
  H      -6.894648      1.915222     -0.285938
  H      -6.657453      0.955394      6.560772
  H      -6.584900      1.908901      5.065684
  H      -6.394936      3.934679      6.870930
  H      -7.391107      2.804528      7.806022
  H      -8.847818      4.262799      6.470998
  H      -8.925547      2.608743      5.811725
  H      -9.716862      5.661658      4.033659
  H     -11.322584      5.313959      2.154008
  H     -10.448735      1.246291      0.325292
  H      -8.777175     -0.564963      0.812174
  H      -7.073910     -0.167084      2.575798
  N      -4.656158      2.767613      3.051287
  N      -5.301480      2.999608      2.003795
  H      -4.724252      3.480895      1.305334
101
Coordinates from ORCA-job orca E -6484.123382417555
  N      -2.913334      0.510312      4.653690
  Mo     -3.558112      2.348163      4.825316
  N      -4.884371      2.011221      6.202461
  C      -4.423885      1.807921      7.572454
  C      -3.013237      1.222417      7.572601
  N      -2.173778      1.954696      6.606512
  C      -1.071914      1.116514      6.110218
  C      -1.635080      0.048425      5.148046
  C      -1.646390      3.202873      7.188031
  C      -1.687390      4.254369      6.072990
  N      -2.996980      4.154187      5.466368
  H      -0.913656     -0.110222      4.330979
  H      -1.756776     -0.915919      5.669726
  H      -0.378345      1.766872      5.567541
  H      -0.532797      0.642944      6.944048
  H      -1.491992      5.254631      6.481443
  H      -0.907149      4.036832      5.325397
  H      -2.308602      3.531230      7.995675
  H      -0.635141      3.060868      7.591640
  H      -5.091212      1.114223      8.108149
  H      -4.439998      2.762437      8.126445
  H      -3.075049      0.176032      7.257944
  H      -2.572074      1.257688      8.579137
  C      -3.884642     -0.531321      4.416009
  C      -3.494386     -1.444884      3.234126
  C      -3.392010     -0.675825      1.920768
  O      -4.713966     -0.285629      1.505954
  C      -4.801199      0.135178      0.193360
  C      -5.556590     -0.600815     -0.703226
  C      -5.664286     -0.155275     -2.027429
  N      -5.079532      0.933736     -2.494654
  C      -4.341384      1.676385     -1.636484
  C      -3.720561      2.863972     -2.093136
  C      -2.992385      3.622744     -1.198320
  C      -2.892162      3.196618      0.129650
  N      -3.448981      2.089057      0.597502
  C      -4.167011      1.326007     -0.260801
  C      -3.893814      5.249923      5.794103
  C      -4.969373      5.461161      4.725223
  C      -4.365628      5.896476      3.383471
  O      -5.091089      5.349175      2.289773
  C      -6.332064      5.776104      1.959438
  C      -6.901932      6.976949      2.346069
  C      -8.150216      7.329354      1.821231
  N      -8.824383      6.609871      0.947812
  C      -8.300377      5.420427      0.567762
  C      -8.990246      4.638170     -0.386799
  C      -8.477712      3.407816     -0.731380
  C      -7.324503      2.951233     -0.084388
  N      -6.616413      3.652070      0.785936
  C      -7.072215      4.910432      1.089587
  C      -6.324547      1.937613      6.120588
  C      -7.071996      3.113217      6.803031
  C      -8.294844      3.517099      5.990245
  O      -7.862037      4.012644      4.714453
  C      -8.797331      3.833551      3.715805
  C      -9.789301      4.771732      3.483695
  C     -10.713289      4.536309      2.462250
  N     -10.715780      3.452744      1.702500
  C      -9.763993      2.516027      1.926943
  C      -9.750075      1.335710      1.155958
  C      -8.778418      0.380912      1.408217
  C      -7.814796      0.636032      2.385264
  N      -7.781840      1.737232      3.128788
  C      -8.750338      2.664898      2.921037
  H      -4.010843     -1.167392      5.314558
  H      -4.849575     -0.059360      4.187975
  H      -2.524436     -1.911122      3.431993
  H      -4.248124     -2.231890      3.125605
  H      -2.954025     -1.314504      1.140052
  H      -2.767693      0.220860      2.042782
  H      -6.054188     -1.505661     -0.375087
  H      -6.251389     -0.718911     -2.748343
  H      -3.842100      3.149655     -3.131210
  H      -2.505006      4.540745     -1.503335
  H      -2.325856      3.769538      0.860419
  H      -3.324701      6.189580      5.894776
  H      -4.396066      5.057554      6.761539
  H      -5.700029      6.202105      5.064435
  H      -5.492821      4.507778      4.574307
  H      -3.366312      5.458797      3.257962
  H      -4.285648      6.989387      3.304279
  H      -6.401756      7.656070      3.024277
  H      -8.614646      8.268011      2.113937
  H      -9.907037      5.024546     -0.813627
  H      -8.966230      2.775129     -1.463066
  H      -6.955794      1.948537     -0.279141
  H      -6.680120      0.993165      6.572896
  H      -6.608204      1.931799      5.063919
  H      -6.404032      3.977855      6.865586
  H      -7.398933      2.847333      7.812512
  H      -8.869514      4.305689      6.499395
  H      -8.951197      2.646974      5.842131
  H      -9.837947      5.673722      4.081998
  H     -11.492821      5.261103      2.245736
  H     -10.508532      1.199638      0.394608
  H      -8.747070     -0.543601      0.843714
  H      -7.010355     -0.073317      2.579219
  N      -4.616786      2.726272      3.067055
  N      -5.239123      2.953805      2.020530
  H      -4.649364      3.416768      1.322760
101
Coordinates from ORCA-job orca E -6484.160776376450
  N      -2.897415      0.486399      4.656281
  Mo     -3.543231      2.339544      4.835053
  N      -4.886468      2.011985      6.203683
  C      -4.427727      1.811311      7.580149
  C      -3.020573      1.223254      7.592437
  N      -2.170436      1.954000      6.626937
  C      -1.064057      1.109868      6.134838
  C      -1.617476      0.037230      5.169375
  C      -1.642618      3.209573      7.208183
  C      -1.673304      4.256499      6.088448
  N      -2.981555      4.166852      5.469475
  H      -0.883522     -0.117931      4.360235
  H      -1.738826     -0.930060      5.691103
  H      -0.367100      1.763722      5.595690
  H      -0.527123      0.638430      6.974556
  H      -1.474731      5.260508      6.494063
  H      -0.884362      4.029825      5.349490
  H      -2.309951      3.541835      8.012713
  H      -0.632199      3.062715      7.620955
  H      -5.101154      1.120038      8.115613
  H      -4.443870      2.769619      8.132642
  H      -3.080374      0.174266      7.279259
  H      -2.583640      1.260559      8.603738
  C      -3.861208     -0.569555      4.397963
  C      -3.464716     -1.485129      3.215827
  C      -3.355469     -0.726893      1.898394
  O      -4.680753     -0.333929      1.476045
  C      -4.778173      0.089346      0.169846
  C      -5.559706     -0.631339     -0.717918
  C      -5.692932     -0.173614     -2.041788
  N      -5.108475      0.919726     -2.518150
  C      -4.342247      1.647580     -1.663211
  C      -3.722232      2.842921     -2.119239
  C      -2.968805      3.588939     -1.231828
  C      -2.834808      3.143304      0.091830
  N      -3.389758      2.028492      0.560443
  C      -4.138004      1.279462     -0.291023
  C      -3.881474      5.271068      5.781698
  C      -4.957260      5.496984      4.714683
  C      -4.370492      5.945341      3.370585
  O      -5.112626      5.407359      2.279034
  C      -6.355262      5.808085      1.962019
  C      -6.958783      6.990363      2.363273
  C      -8.222995      7.313442      1.841561
  N      -8.880550      6.584401      0.953786
  C      -8.313636      5.408868      0.564116
  C      -8.979328      4.609475     -0.396904
  C      -8.433513      3.392643     -0.745767
  C      -7.263583      2.962866     -0.097948
  N      -6.574452      3.679139      0.779253
  C      -7.069147      4.926669      1.085523
  C      -6.331969      1.942575      6.112706
  C      -7.084840      3.115214      6.799684
  C      -8.316693      3.524215      6.005296
  O      -7.908436      4.040823      4.724571
  C      -8.856465      3.865504      3.745060
  C      -9.861740      4.791913      3.536010
  C     -10.804654      4.552362      2.521430
  N     -10.805100      3.477175      1.743667
  C      -9.827152      2.552752      1.943529
  C      -9.789423      1.387183      1.145194
  C      -8.791761      0.453245      1.364614
  C      -7.817572      0.710046      2.345707
  N      -7.807898      1.794505      3.113016
  C      -8.801673      2.703316      2.931101
  H      -3.990735     -1.204374      5.298294
  H      -4.827874     -0.102522      4.164020
  H      -2.491922     -1.952132      3.419146
  H      -4.219501     -2.277044      3.107595
  H      -2.914087     -1.370666      1.120869
  H      -2.731097      0.170693      2.019666
  H      -6.063315     -1.535928     -0.383794
  H      -6.305635     -0.731642     -2.752528
  H      -3.868382      3.143821     -3.154320
  H      -2.482239      4.514181     -1.531312
  H      -2.243237      3.709522      0.815364
  H      -3.306517      6.210494      5.888507
  H      -4.390141      5.078235      6.747733
  H      -5.683342      6.241079      5.066681
  H      -5.488420      4.546357      4.557691
  H      -3.371131      5.512484      3.216161
  H      -4.293803      7.042728      3.305723
  H      -6.472666      7.676392      3.051901
  H      -8.712182      8.240073      2.149629
  H      -9.911171      4.972830     -0.822397
  H      -8.910347      2.743560     -1.478337
  H      -6.867740      1.964989     -0.296599
  H      -6.686631      0.995959      6.565036
  H      -6.612244      1.934160      5.052253
  H      -6.415841      3.983178      6.868632
  H      -7.409574      2.840280      7.811712
  H      -8.889543      4.305724      6.531805
  H      -8.972639      2.651102      5.856161
  H      -9.910324      5.693948      4.141868
  H     -11.597347      5.275920      2.327129
  H     -10.550870      1.253905      0.379786
  H      -8.740187     -0.458390      0.772655
  H      -6.987325      0.014337      2.508566
  N      -4.538655      2.698118      3.119958
  N      -5.125080      2.921367      2.068630
  H      -4.523963      3.390583      1.381396
101
Coordinates from ORCA-job orca E -6484.187673055694
  N      -2.955164      0.455422      4.643963
  Mo     -3.571896      2.334862      4.837427
  N      -4.922387      2.040689      6.212657
  C      -4.455196      1.839824      7.589278
  C      -3.060761      1.224937      7.599571
  N      -2.198728      1.936080      6.626044
  C      -1.108764      1.068641      6.129004
  C      -1.677775      0.001112      5.166148
  C      -1.644213      3.189400      7.198886
  C      -1.658829      4.230646      6.073112
  N      -2.971958      4.174490      5.455688
  H      -0.939973     -0.160417      4.359871
  H      -1.808591     -0.967138      5.687467
  H      -0.403842      1.713903      5.586756
  H      -0.573880      0.591969      6.968865
  H      -1.435496      5.234149      6.472037
  H      -0.873628      3.980737      5.335675
  H      -2.302166      3.537200      8.006093
  H      -0.634395      3.021073      7.610232
  H      -5.139475      1.163270      8.132271
  H      -4.451253      2.802269      8.137623
  H      -3.139157      0.174740      7.290479
  H      -2.617318      1.258827      8.609891
  C      -3.918453     -0.600012      4.364971
  C      -3.507179     -1.507626      3.180808
  C      -3.366630     -0.748238      1.867383
  O      -4.682160     -0.342212      1.414749
  C      -4.764109      0.090703      0.115689
  C      -5.553249     -0.616259     -0.777613
  C      -5.687396     -0.149513     -2.100471
  N      -5.097508      0.945558     -2.574777
  C      -4.322916      1.660732     -1.712000
  C      -3.700762      2.860284     -2.161895
  C      -2.941489      3.598936     -1.274091
  C      -2.797566      3.141882      0.048427
  N      -3.355296      2.022430      0.514743
  C      -4.113306      1.281327     -0.340229
  C      -3.848073      5.301397      5.759671
  C      -4.924954      5.552462      4.699947
  C      -4.344607      5.993157      3.352480
  O      -5.114385      5.471306      2.267341
  C      -6.348617      5.889218      1.972169
  C      -6.928141      7.082584      2.379040
  C      -8.200100      7.422474      1.877355
  N      -8.888565      6.700188      1.003810
  C      -8.339922      5.510106      0.614888
  C      -9.035076      4.708085     -0.323111
  C      -8.515366      3.478578     -0.665041
  C      -7.332625      3.038542     -0.035360
  N      -6.615843      3.754587      0.819045
  C      -7.091938      5.010906      1.116211
  C      -6.371573      1.993637      6.125845
  C      -7.117254      3.177547      6.801235
  C      -8.349763      3.560778      6.000690
  O      -7.935348      4.044476      4.705777
  C      -8.861650      3.817626      3.723440
  C      -9.878959      4.708028      3.446125
  C     -10.794942      4.395798      2.417746
  N     -10.755264      3.286225      1.689294
  C      -9.756774      2.396485      1.958151
  C      -9.661137      1.197191      1.212622
  C      -8.646387      0.305345      1.499581
  C      -7.704330      0.632446      2.501056
  N      -7.748306      1.747680      3.217535
  C      -8.761359      2.617423      2.964248
  H      -4.060395     -1.238093      5.261790
  H      -4.881453     -0.128402      4.124157
  H      -2.537157     -1.980222      3.397298
  H      -4.263019     -2.299919      3.057622
  H      -2.913433     -1.392904      1.096139
  H      -2.739385      0.145428      2.003878
  H      -6.065678     -1.520251     -0.447444
  H      -6.308995     -0.703000     -2.810651
  H      -3.853290      3.169533     -3.196061
  H      -2.453678      4.528807     -1.566765
  H      -2.196636      3.705709      0.770098
  H      -3.249629      6.229000      5.865161
  H      -4.359699      5.123441      6.728341
  H      -5.631351      6.312629      5.062952
  H      -5.482310      4.613843      4.542819
  H      -3.355897      5.542308      3.180148
  H      -4.247467      7.090819      3.289997
  H      -6.415929      7.764146      3.056925
  H      -8.666773      8.360927      2.193290
  H      -9.973244      5.080081     -0.733491
  H      -9.021876      2.823516     -1.375913
  H      -6.956253      2.029836     -0.230297
  H      -6.730727      1.052935      6.589075
  H      -6.655832      1.975609      5.065202
  H      -6.445371      4.046982      6.858510
  H      -7.443158      2.920870      7.820216
  H      -8.935167      4.349298      6.504735
  H      -8.996496      2.676266      5.870293
  H      -9.960729      5.640735      4.003770
  H     -11.597505      5.096367      2.172742
  H     -10.393701      1.012042      0.426539
  H      -8.549493     -0.629709      0.946769
  H      -6.859527     -0.034074      2.712808
  N      -4.522503      2.685564      3.192640
  N      -5.093701      2.908976      2.137431
  H      -4.491592      3.362163      1.436643
101
Coordinates from ORCA-job orca E -6484.206874901320
  N      -2.899484      0.429644      4.655851
  Mo     -3.537298      2.318670      4.852405
  N      -4.902856      2.024903      6.215482
  C      -4.438063      1.833815      7.596026
  C      -3.038664      1.230428      7.621503
  N      -2.173674      1.946245      6.651391
  C      -1.072151      1.084556      6.161858
  C      -1.619483      0.004024      5.198660
  C      -1.636037      3.212838      7.220185
  C      -1.653769      4.249455      6.088683
  N      -2.962259      4.187089      5.458431
  H      -0.867431     -0.149757      4.402617
  H      -1.739379     -0.965031      5.723484
  H      -0.370814      1.738108      5.623171
  H      -0.535991      0.618386      7.007649
  H      -1.440494      5.257536      6.484434
  H      -0.857524      4.001736      5.361357
  H      -2.303856      3.556179      8.021861
  H      -0.627709      3.053297      7.641458
  H      -5.122471      1.155425      8.137839
  H      -4.444366      2.799398      8.140162
  H      -3.102259      0.177790      7.315108
  H      -2.602668      1.272695      8.635659
  C      -3.838258     -0.644972      4.361937
  C      -3.421872     -1.550082      3.181051
  C      -3.291749     -0.789107      1.871545
  O      -4.616186     -0.384826      1.433693
  C      -4.721692      0.058152      0.145291
  C      -5.550808     -0.625371     -0.730539
  C      -5.723368     -0.142020     -2.042974
  N      -5.136062      0.950846     -2.526952
  C      -4.320453      1.641712     -1.680436
  C      -3.700727      2.840025     -2.137248
  C      -2.900198      3.557655     -1.270655
  C      -2.707192      3.078946      0.039831
  N      -3.261968      1.960277      0.514753
  C      -4.065109      1.242943     -0.321076
  C      -3.855392      5.304907      5.746202
  C      -4.936075      5.539037      4.686768
  C      -4.374663      6.000093      3.341077
  O      -5.134976      5.467919      2.248042
  C      -6.381884      5.838159      1.953553
  C      -7.022291      6.995517      2.373778
  C      -8.305858      7.282576      1.861835
  N      -8.950757      6.550738      0.962399
  C      -8.338653      5.393191      0.563215
  C      -8.980860      4.570598     -0.394764
  C      -8.404117      3.368171     -0.736290
  C      -7.212378      2.973283     -0.086978
  N      -6.544819      3.713452      0.783634
  C      -7.079171      4.941287      1.076580
  C      -6.350382      1.973733      6.111498
  C      -7.095432      3.153426      6.791069
  C      -8.338233      3.557778      6.016594
  O      -7.968488      4.083482      4.717971
  C      -8.938301      3.893843      3.772489
  C      -9.968759      4.791700      3.595262
  C     -10.946944      4.526647      2.608157
  N     -10.951063      3.461408      1.820017
  C      -9.928871      2.569729      1.976215
  C      -9.861935      1.427498      1.142007
  C      -8.819981      0.539688      1.297864
  C      -7.820214      0.810461      2.264806
  N      -7.839924      1.866878      3.063867
  C      -8.876862      2.736195      2.935073
  H      -3.975446     -1.280649      5.261495
  H      -4.806547     -0.186454      4.118131
  H      -2.446882     -2.017743      3.392627
  H      -4.171959     -2.350412      3.062060
  H      -2.840061     -1.427192      1.093612
  H      -2.670185      0.108730      2.006917
  H      -6.068233     -1.524773     -0.392439
  H      -6.379371     -0.680987     -2.734639
  H      -3.890079      3.164819     -3.161605
  H      -2.412705      4.487982     -1.566815
  H      -2.068877      3.628245      0.741649
  H      -3.270309      6.242053      5.857754
  H      -4.371885      5.121901      6.712295
  H      -5.655982      6.284204      5.056865
  H      -5.477833      4.591096      4.527585
  H      -3.376344      5.575881      3.158338
  H      -4.305265      7.100843      3.285768
  H      -6.548705      7.687804      3.070152
  H      -8.816726      8.194155      2.191526
  H      -9.929917      4.904497     -0.816069
  H      -8.873691      2.694164     -1.456451
  H      -6.791949      1.980811     -0.280180
  H      -6.709275      1.030490      6.571268
  H      -6.626652      1.954668      5.049029
  H      -6.419556      4.020477      6.858983
  H      -7.417033      2.884814      7.809772
  H      -8.907464      4.336275      6.554217
  H      -8.994862      2.680786      5.879753
  H     -10.017016      5.699767      4.198295
  H     -11.761882      5.239863      2.451533
  H     -10.635669      1.291662      0.383974
  H      -8.739593     -0.348072      0.667994
  H      -6.949849      0.147473      2.362295
  N      -4.430099      2.635021      3.262611
  N      -4.973318      2.849902      2.185613
  H      -4.370330      3.315101      1.494537
101
Coordinates from ORCA-job orca E -6484.221467672063
  N      -2.927869      0.406351      4.655666
  Mo     -3.556148      2.308582      4.866470
  N      -4.926346      2.037611      6.232136
  C      -4.455122      1.851431      7.609884
  C      -3.061514      1.232964      7.636165
  N      -2.189458      1.934526      6.663211
  C      -1.099140      1.059674      6.172092
  C      -1.653398     -0.019094      5.211278
  C      -1.642717      3.203894      7.219186
  C      -1.653732      4.232707      6.078731
  N      -2.961100      4.189324      5.442939
  H      -0.895184     -0.178752      4.421501
  H      -1.777526     -0.987448      5.737019
  H      -0.393026      1.707268      5.632387
  H      -0.563394      0.593180      7.017866
  H      -1.426554      5.241027      6.466157
  H      -0.857112      3.970309      5.357153
  H      -2.307459      3.555383      8.019688
  H      -0.636317      3.037439      7.642202
  H      -5.145063      1.183290      8.157268
  H      -4.451209      2.819667      8.148685
  H      -3.132951      0.179956      7.332998
  H      -2.623831      1.275244      8.649484
  C      -3.853954     -0.667564      4.334959
  C      -3.429282     -1.557198      3.148777
  C      -3.283614     -0.777148      1.854609
  O      -4.605487     -0.354097      1.424266
  C      -4.722201      0.112617      0.149165
  C      -5.603177     -0.526709     -0.709214
  C      -5.806201     -0.017758     -2.005819
  N      -5.203179      1.061535     -2.493464
  C      -4.335055      1.708478     -1.665381
  C      -3.697623      2.891777     -2.128718
  C      -2.841288      3.569038     -1.287066
  C      -2.608376      3.061158      0.006684
  N      -3.180105      1.957580      0.490093
  C      -4.040491      1.281385     -0.323275
  C      -3.841829      5.317544      5.712418
  C      -4.921737      5.547598      4.649785
  C      -4.358427      6.001892      3.303573
  O      -5.118734      5.478580      2.201380
  C      -6.364190      5.868815      1.916474
  C      -6.986555      7.031229      2.349716
  C      -8.270031      7.338867      1.850223
  N      -8.935413      6.625110      0.952523
  C      -8.344329      5.460261      0.544295
  C      -9.009462      4.641682     -0.401692
  C      -8.457564      3.426640     -0.738994
  C      -7.260740      3.019939     -0.104530
  N      -6.576425      3.758323      0.752485
  C      -7.089037      4.988973      1.042900
  C      -6.372666      1.995463      6.129663
  C      -7.106838      3.185385      6.799495
  C      -8.357185      3.569158      6.030923
  O      -7.987831      4.062117      4.719138
  C      -8.944085      3.833778      3.769403
  C      -9.971789      4.721579      3.536776
  C     -10.930439      4.415678      2.542409
  N     -10.917507      3.324771      1.793490
  C      -9.893821      2.444934      1.999744
  C      -9.796000      1.283457      1.195742
  C      -8.751406      0.409707      1.398060
  C      -7.779350      0.712405      2.383142
  N      -7.827010      1.788008      3.152550
  C      -8.865187      2.646223      2.974704
  H      -4.000337     -1.310842      5.227702
  H      -4.821075     -0.208017      4.088438
  H      -2.458303     -2.033341      3.359724
  H      -4.178949     -2.355129      3.013896
  H      -2.834271     -1.404080      1.066872
  H      -2.658076      0.114928      2.006269
  H      -6.139991     -1.412226     -0.366359
  H      -6.504475     -0.524968     -2.679224
  H      -3.918315      3.237220     -3.139564
  H      -2.337505      4.487971     -1.590610
  H      -1.922567      3.578764      0.685843
  H      -3.248775      6.250148      5.820732
  H      -4.365185      5.152299      6.678539
  H      -5.636846      6.296765      5.020265
  H      -5.472731      4.604020      4.493304
  H      -3.362323      5.571770      3.127473
  H      -4.283293      7.101505      3.244173
  H      -6.497428      7.711508      3.046541
  H      -8.762063      8.255892      2.192362
  H      -9.960445      4.985485     -0.810066
  H      -8.953766      2.749789     -1.437892
  H      -6.859328      2.019514     -0.294044
  H      -6.733633      1.057825      6.599337
  H      -6.651971      1.965070      5.068422
  H      -6.429195      4.051975      6.850400
  H      -7.420452      2.935504      7.825343
  H      -8.928895      4.355418      6.553626
  H      -9.010465      2.687149      5.913702
  H     -10.029919      5.655947      4.096731
  H     -11.741123      5.123529      2.345475
  H     -10.542207      1.129394      0.414689
  H      -8.643643     -0.489606      0.789675
  H      -6.905919      0.061376      2.510929
  N      -4.425134      2.615299      3.313872
  N      -4.957505      2.826981      2.221276
  H      -4.355285      3.279623      1.524462
101
Coordinates from ORCA-job orca E -6484.231729018597
  N      -2.930737      0.391100      4.675869
  Mo     -3.563625      2.298625      4.904993
  N      -4.942809      2.041957      6.263485
  C      -4.472201      1.858653      7.640116
  C      -3.080416      1.232160      7.671648
  N      -2.198110      1.925639      6.702993
  C      -1.112611      1.046380      6.213800
  C      -1.663747     -0.029597      5.250758
  C      -1.652192      3.199978      7.247513
  C      -1.654457      4.219816      6.097332
  N      -2.955603      4.190633      5.448434
  H      -0.894453     -0.191997      4.471650
  H      -1.790233     -0.998503      5.775454
  H      -0.402176      1.692537      5.678255
  H      -0.578302      0.580098      7.060473
  H      -1.418357      5.228804      6.477579
  H      -0.852651      3.946092      5.385967
  H      -2.319630      3.556260      8.043403
  H      -0.649058      3.033154      7.677284
  H      -5.166750      1.196131      8.188347
  H      -4.465202      2.827709      8.176577
  H      -3.153192      0.179623      7.367819
  H      -2.647681      1.273182      8.686991
  C      -3.825428     -0.695358      4.321093
  C      -3.360537     -1.564632      3.136805
  C      -3.214567     -0.776887      1.848521
  O      -4.547938     -0.399565      1.407167
  C      -4.687062      0.067512      0.138055
  C      -5.575273     -0.586141     -0.701763
  C      -5.821308     -0.080863     -1.991031
  N      -5.258035      1.011378     -2.488877
  C      -4.384645      1.673822     -1.679587
  C      -3.796376      2.875197     -2.153820
  C      -2.936864      3.572087     -1.335313
  C      -2.649030      3.061013     -0.052945
  N      -3.175203      1.944639      0.441324
  C      -4.041344      1.250196     -0.349477
  C      -3.823828      5.328857      5.697521
  C      -4.903308      5.551372      4.632434
  C      -4.340559      5.996708      3.283778
  O      -5.102261      5.480716      2.175186
  C      -6.348645      5.891678      1.910942
  C      -6.950621      7.054006      2.371884
  C      -8.234423      7.388549      1.892696
  N      -8.922935      6.702280      0.992433
  C      -8.356475      5.535368      0.558995
  C      -9.042986      4.736082     -0.388709
  C      -8.511664      3.516935     -0.746387
  C      -7.312492      3.086748     -0.132489
  N      -6.613260      3.810924      0.723670
  C      -7.103714      5.039801      1.033042
  C      -6.386626      2.007681      6.145068
  C      -7.118639      3.203813      6.799998
  C      -8.370200      3.573538      6.027374
  O      -7.998543      4.054118      4.710690
  C      -8.945208      3.811420      3.753701
  C      -9.975441      4.693377      3.507823
  C     -10.926312      4.378623      2.510610
  N     -10.904809      3.285475      1.767349
  C      -9.874593      2.415464      1.978728
  C      -9.761601      1.258229      1.171128
  C      -8.704124      0.398461      1.369099
  C      -7.741691      0.707219      2.359539
  N      -7.808957      1.774667      3.137946
  C      -8.854209      2.623797      2.959568
  H      -3.972370     -1.348773      5.206622
  H      -4.800646     -0.257540      4.065055
  H      -2.382566     -2.019430      3.361674
  H      -4.083685     -2.382847      2.985118
  H      -2.740269     -1.387323      1.063210
  H      -2.618731      0.133332      2.007093
  H      -6.085090     -1.482215     -0.347669
  H      -6.524518     -0.603406     -2.646550
  H      -4.058240      3.218354     -3.155001
  H      -2.472267      4.507199     -1.649464
  H      -1.957512      3.594363      0.606192
  H      -3.223298      6.257021      5.800694
  H      -4.355007      5.185502      6.663520
  H      -5.614289      6.303563      5.003776
  H      -5.461480      4.612901      4.482992
  H      -3.346217      5.560834      3.114282
  H      -4.260795      7.094940      3.217261
  H      -6.444324      7.714869      3.074101
  H      -8.706302      8.306530      2.258358
  H      -9.993645      5.097011     -0.781768
  H      -9.025728      2.855830     -1.445640
  H      -6.927405      2.084524     -0.338198
  H      -6.755764      1.073729      6.615783
  H      -6.655594      1.971312      5.081637
  H      -6.441177      4.070163      6.846301
  H      -7.433061      2.966886      7.828548
  H      -8.947013      4.361656      6.540683
  H      -9.020706      2.689095      5.916506
  H     -10.040519      5.631005      4.059720
  H     -11.738814      5.082776      2.309888
  H     -10.502786      1.100611      0.386500
  H      -8.579805     -0.493928      0.754905
  H      -6.860179      0.067273      2.483305
  N      -4.427549      2.600474      3.362136
  N      -4.949569      2.810222      2.258450
  H      -4.350332      3.266956      1.563357
101
Coordinates from ORCA-job orca E -6484.239880340050
  N      -2.925421      0.370428      4.696108
  Mo     -3.566889      2.278572      4.935374
  N      -4.952620      2.037638      6.288531
  C      -4.481834      1.864636      7.665022
  C      -3.090473      1.236684      7.702534
  N      -2.201236      1.921127      6.733910
  C      -1.118372      1.037026      6.249110
  C      -1.664623     -0.043611      5.289708
  C      -1.660283      3.204878      7.260076
  C      -1.656202      4.208471      6.095554
  N      -2.950672      4.183055      5.433556
  H      -0.885455     -0.213227      4.521229
  H      -1.792557     -1.010316      5.819367
  H      -0.405373      1.680442      5.713415
  H      -0.583376      0.575940      7.098589
  H      -1.414682      5.220903      6.464047
  H      -0.848180      3.922926      5.395579
  H      -2.331786      3.568270      8.049522
  H      -0.659182      3.045066      7.697236
  H      -5.177366      1.206929      8.218416
  H      -4.474424      2.836934      8.195497
  H      -3.161621      0.182875      7.402687
  H      -2.662353      1.282350      8.719873
  C      -3.796564     -0.723046      4.311270
  C      -3.314737     -1.562104      3.114651
  C      -3.178636     -0.744502      1.844028
  O      -4.520740     -0.368580      1.422686
  C      -4.690491      0.121321      0.168512
  C      -5.642005     -0.486430     -0.636374
  C      -5.932915      0.045363     -1.905429
  N      -5.355620      1.123086     -2.416261
  C      -4.418270      1.739973     -1.642248
  C      -3.810589      2.924789     -2.131410
  C      -2.882585      3.576777     -1.352790
  C      -2.546110      3.033317     -0.094334
  N      -3.089435      1.934205      0.413272
  C      -4.024152      1.285319     -0.337488
  C      -3.811200      5.330428      5.657880
  C      -4.892146      5.538073      4.590254
  C      -4.331248      5.970989      3.237171
  O      -5.090045      5.452842      2.123653
  C      -6.337888      5.871403      1.870751
  C      -6.932803      7.029745      2.351008
  C      -8.217555      7.377170      1.883909
  N      -8.916852      6.707155      0.980127
  C      -8.361649      5.542071      0.528542
  C      -9.060579      4.752631     -0.418835
  C      -8.541391      3.531607     -0.789902
  C      -7.337864      3.089825     -0.193972
  N      -6.630054      3.807421      0.661414
  C      -7.107840      5.035376      0.986795
  C      -6.395402      2.005197      6.160345
  C      -7.125093      3.207702      6.803956
  C      -8.383801      3.565635      6.038262
  O      -8.018660      4.034148      4.715993
  C      -8.962042      3.780698      3.759150
  C      -9.987814      4.664958      3.499558
  C     -10.934567      4.347178      2.500340
  N     -10.911371      3.249857      1.762975
  C      -9.881630      2.381225      1.982429
  C      -9.758579      1.227968      1.170784
  C      -8.697276      0.372211      1.371560
  C      -7.746351      0.678316      2.373194
  N      -7.825504      1.740401      3.157742
  C      -8.869222      2.589621      2.971893
  H      -3.943036     -1.392918      5.185011
  H      -4.777863     -0.297539      4.056101
  H      -2.332814     -2.011955      3.333148
  H      -4.025236     -2.387187      2.943932
  H      -2.706125     -1.332023      1.040627
  H      -2.590800      0.167835      2.017521
  H      -6.167335     -1.367598     -0.267758
  H      -6.686199     -0.443679     -2.530863
  H      -4.112281      3.290814     -3.113191
  H      -2.401300      4.497928     -1.682557
  H      -1.798208      3.529855      0.531519
  H      -3.206439      6.257131      5.749367
  H      -4.348219      5.212346      6.625079
  H      -5.601813      6.293003      4.959059
  H      -5.453531      4.600864      4.453166
  H      -3.336664      5.532800      3.077404
  H      -4.250165      7.068177      3.159323
  H      -6.420492      7.679501      3.058936
  H      -8.680642      8.293053      2.266058
  H     -10.013765      5.120743     -0.799161
  H      -9.070470      2.876932     -1.483930
  H      -6.962089      2.086758     -0.410727
  H      -6.768839      1.075213      6.636087
  H      -6.658099      1.959480      5.095483
  H      -6.448706      4.075315      6.839329
  H      -7.432120      2.983333      7.837903
  H      -8.959762      4.356901      6.547651
  H      -9.033734      2.679580      5.938188
  H     -10.049817      5.608923      4.040815
  H     -11.743314      5.054028      2.293065
  H     -10.490232      1.075208      0.376192
  H      -8.561418     -0.514681      0.751911
  H      -6.862365      0.041770      2.499428
  N      -4.430036      2.566911      3.385650
  N      -4.936644      2.762235      2.274348
  H      -4.338355      3.221813      1.579771
101
Coordinates from ORCA-job orca E -6484.246699499524
  N      -2.934984      0.363129      4.710121
  Mo     -3.580545      2.271748      4.969306
  N      -4.970235      2.043287      6.317636
  C      -4.499746      1.872050      7.693498
  C      -3.111146      1.239094      7.730953
  N      -2.214342      1.917022      6.764050
  C      -1.136118      1.029180      6.279452
  C      -1.681084     -0.049616      5.320960
  C      -1.673174      3.205409      7.277276
  C      -1.657013      4.196108      6.103157
  N      -2.944809      4.182254      5.428454
  H      -0.893184     -0.226829      4.562267
  H      -1.813509     -1.015489      5.852689
  H      -0.419442      1.670645      5.745839
  H      -0.601022      0.567809      7.129340
  H      -1.404915      5.209137      6.464500
  H      -0.844261      3.897907      5.413229
  H      -2.346990      3.575587      8.061971
  H      -0.674221      3.047415      7.720755
  H      -5.196710      1.217591      8.249944
  H      -4.488741      2.844703      8.223709
  H      -3.184517      0.185772      7.429562
  H      -2.686030      1.282645      8.750117
  C      -3.775834     -0.744497      4.295641
  C      -3.249499     -1.562139      3.104020
  C      -3.124431     -0.740240      1.836499
  O      -4.477320     -0.433781      1.386312
  C      -4.647450      0.042805      0.130563
  C      -5.567417     -0.604655     -0.680915
  C      -5.859552     -0.097837     -1.960632
  N      -5.315514      0.995564     -2.475509
  C      -4.412086      1.653714     -1.693186
  C      -3.846546      2.859264     -2.182792
  C      -2.954581      3.554026     -1.399161
  C      -2.610077      3.029747     -0.132963
  N      -3.115776      1.915116      0.374600
  C      -4.016669      1.224578     -0.380753
  C      -3.787068      5.344730      5.637836
  C      -4.871139      5.554805      4.575515
  C      -4.313044      5.976836      3.219186
  O      -5.083166      5.468760      2.106804
  C      -6.330371      5.903755      1.881946
  C      -6.907659      7.056333      2.397289
  C      -8.196289      7.426778      1.958386
  N      -8.917241      6.783884      1.051893
  C      -8.381606      5.622703      0.567133
  C      -9.104768      4.858066     -0.381978
  C      -8.607054      3.638292     -0.784731
  C      -7.397042      3.172199     -0.221526
  N      -6.667670      3.867974      0.634576
  C      -7.124455      5.094570      0.993586
  C      -6.412008      2.017601      6.178588
  C      -7.140292      3.225020      6.811787
  C      -8.402128      3.571726      6.047161
  O      -8.040006      4.034258      4.721973
  C      -8.978038      3.771272      3.763920
  C     -10.009366      4.649067      3.501261
  C     -10.953458      4.325028      2.501451
  N     -10.920374      3.228249      1.762221
  C      -9.879867      2.371038      1.978399
  C      -9.738950      1.227441      1.155720
  C      -8.662167      0.388166      1.346337
  C      -7.717996      0.697018      2.354089
  N      -7.817649      1.746552      3.153396
  C      -8.872161      2.584169      2.973030
  H      -3.918954     -1.425957      5.161243
  H      -4.765753     -0.345623      4.030132
  H      -2.256933     -1.979395      3.339905
  H      -3.924373     -2.413690      2.918322
  H      -2.616237     -1.307894      1.040823
  H      -2.580393      0.197286      2.014657
  H      -6.063864     -1.501672     -0.309875
  H      -6.585014     -0.623007     -2.590348
  H      -4.152926      3.206106     -3.170475
  H      -2.510026      4.492653     -1.731421
  H      -1.889203      3.560592      0.497219
  H      -3.168985      6.263963      5.718511
  H      -4.325498      5.252132      6.608007
  H      -5.570290      6.317779      4.948968
  H      -5.445401      4.624538      4.448814
  H      -3.323676      5.527175      3.058574
  H      -4.220074      7.072653      3.135502
  H      -6.379789      7.686414      3.111648
  H      -8.642772      8.338952      2.369147
  H     -10.061286      5.242652     -0.737929
  H      -9.159153      3.001959     -1.478442
  H      -7.038507      2.169703     -0.463683
  H      -6.793191      1.090618      6.654832
  H      -6.665702      1.967699      5.111634
  H      -6.465582      4.094498      6.840650
  H      -7.443307      3.010682      7.849652
  H      -8.981279      4.363614      6.552361
  H      -9.049215      2.682815      5.952979
  H     -10.076740      5.594212      4.040766
  H     -11.768059      5.026383      2.296637
  H     -10.466410      1.073843      0.357101
  H      -8.509189     -0.487521      0.714595
  H      -6.821302      0.075192      2.471492
  N      -4.447269      2.557097      3.418723
  N      -4.939183      2.748189      2.304242
  H      -4.345119      3.221057      1.613164
101
Coordinates from ORCA-job orca E -6484.252704385224
  N      -2.926152      0.350807      4.732453
  Mo     -3.586395      2.252492      5.005485
  N      -4.979771      2.034553      6.348644
  C      -4.512756      1.871328      7.726510
  C      -3.124090      1.240520      7.767759
  N      -2.223057      1.913738      6.800049
  C      -1.143358      1.024810      6.320449
  C      -1.680143     -0.058372      5.363955
  C      -1.688052      3.210090      7.298489
  C      -1.657899      4.183015      6.111382
  N      -2.937010      4.169376      5.419330
  H      -0.882303     -0.244012      4.617354
  H      -1.818230     -1.021403      5.900484
  H      -0.424750      1.665666      5.788378
  H      -0.608811      0.567463      7.173342
  H      -1.401505      5.198902      6.462623
  H      -0.837571      3.873212      5.435001
  H      -2.368524      3.588390      8.073788
  H      -0.692157      3.060341      7.752573
  H      -5.208656      1.218770      8.287106
  H      -4.503455      2.846273      8.253030
  H      -3.195272      0.186254      7.468818
  H      -2.702543      1.287033      8.788684
  C      -3.740797     -0.764764      4.284290
  C      -3.188910     -1.548493      3.081126
  C      -3.084571     -0.702647      1.827953
  O      -4.449422     -0.426423      1.387881
  C      -4.649097      0.059076      0.141118
  C      -5.606693     -0.570227     -0.641356
  C      -5.936359     -0.053329     -1.908139
  N      -5.396040      1.035387     -2.438107
  C      -4.456204      1.676519     -1.684330
  C      -3.893073      2.878290     -2.186931
  C      -2.963778      3.557607     -1.433726
  C      -2.579242      3.019867     -0.183929
  N      -3.081180      1.908941      0.334463
  C      -4.019617      1.234325     -0.389320
  C      -3.766860      5.345100      5.606788
  C      -4.852261      5.551040      4.545548
  C      -4.294573      5.958535      3.185303
  O      -5.071385      5.452351      2.075329
  C      -6.318842      5.890929      1.860199
  C      -6.893616      7.037693      2.391886
  C      -8.183812      7.415773      1.963203
  N      -8.910575      6.783664      1.053623
  C      -8.378128      5.627288      0.553063
  C      -9.109355      4.874614     -0.398875
  C      -8.616872      3.659644     -0.821228
  C      -7.401538      3.186313     -0.275919
  N      -6.665498      3.870376      0.584360
  C      -7.117232      5.093394      0.965346
  C      -6.421023      2.009675      6.198512
  C      -7.150346      3.222827      6.818561
  C      -8.414979      3.563184      6.055280
  O      -8.057056      4.022584      4.727307
  C      -8.992315      3.756646      3.767920
  C     -10.021946      4.635820      3.501372
  C     -10.962147      4.314803      2.496515
  N     -10.925154      3.220126      1.753418
  C      -9.883505      2.364144      1.970421
  C      -9.734389      1.227168      1.139676
  C      -8.654794      0.391358      1.328435
  C      -7.718980      0.693239      2.347036
  N      -7.828371      1.733927      3.156635
  C      -8.882166      2.572077      2.974091
  H      -3.879098     -1.466186      5.134639
  H      -4.737264     -0.382762      4.018118
  H      -2.188016     -1.947283      3.314334
  H      -3.840949     -2.413891      2.876997
  H      -2.567372     -1.244093      1.019763
  H      -2.564893      0.245441      2.018558
  H      -6.102816     -1.461950     -0.256484
  H      -6.690305     -0.566825     -2.513885
  H      -4.231925      3.234759     -3.160847
  H      -2.521499      4.493004     -1.778401
  H      -1.828029      3.537772      0.421697
  H      -3.138538      6.258899      5.671204
  H      -4.304882      5.280046      6.579788
  H      -5.544404      6.321816      4.916639
  H      -5.435061      4.624240      4.431607
  H      -3.308931      5.499768      3.026755
  H      -4.191939      7.053000      3.093079
  H      -6.363636      7.659507      3.112004
  H      -8.626637      8.323730      2.387692
  H     -10.068613      5.264443     -0.742501
  H      -9.177037      3.032476     -1.517180
  H      -7.044892      2.186729     -0.535265
  H      -6.809562      1.086406      6.676382
  H      -6.664326      1.953581      5.129410
  H      -6.477610      4.094497      6.837822
  H      -7.448447      3.018628      7.860307
  H      -8.992992      4.357280      6.558748
  H      -9.062088      2.673549      5.966400
  H     -10.089591      5.580905      4.041522
  H     -11.777005      5.016205      2.291725
  H     -10.457057      1.078209      0.335361
  H      -8.494047     -0.477669      0.688970
  H      -6.821512      0.072931      2.466138
  N      -4.450658      2.524478      3.449186
  N      -4.924461      2.701717      2.327747
  H      -4.331925      3.189183      1.645375
101
Coordinates from ORCA-job orca E -6484.258001210063
  N      -2.925695      0.340088      4.755084
  Mo     -3.598612      2.231868      5.039348
  N      -4.992213      2.029080      6.381378
  C      -4.527854      1.875603      7.761215
  C      -3.139644      1.244537      7.804889
  N      -2.236427      1.909795      6.832656
  C      -1.156954      1.017134      6.358937
  C      -1.689352     -0.070420      5.406751
  C      -1.703032      3.212515      7.313813
  C      -1.655589      4.164048      6.111351
  N      -2.927025      4.149857      5.403489
  H      -0.883751     -0.268261      4.671764
  H      -1.837706     -1.028814      5.949322
  H      -0.436079      1.654802      5.826267
  H      -0.623697      0.563852      7.214958
  H      -1.392984      5.182793      6.449431
  H      -0.829904      3.839242      5.448440
  H      -2.388677      3.603688      8.078105
  H      -0.710830      3.069328      7.778622
  H      -5.222776      1.227276      8.327948
  H      -4.518220      2.853877      8.281584
  H      -3.211801      0.188905      7.510810
  H      -2.718400      1.294947      8.825879
  C      -3.719020     -0.777033      4.272623
  C      -3.139041     -1.525837      3.060574
  C      -3.048132     -0.655715      1.823023
  O      -4.418962     -0.413179      1.378030
  C      -4.633343      0.077048      0.136529
  C      -5.608001     -0.546466     -0.630010
  C      -5.952686     -0.031419     -1.892869
  N      -5.412983      1.051484     -2.435633
  C      -4.457708      1.688130     -1.697766
  C      -3.894577      2.884397     -2.212388
  C      -2.948812      3.560179     -1.477035
  C      -2.548025      3.023577     -0.231897
  N      -3.048921      1.917269      0.296870
  C      -4.003967      1.246733     -0.408255
  C      -3.739948      5.341167      5.569693
  C      -4.829058      5.543587      4.512243
  C      -4.275193      5.929549      3.144699
  O      -5.065491      5.424457      2.043403
  C      -6.312950      5.870595      1.842243
  C      -6.877304      7.014180      2.391560
  C      -8.170012      7.403471      1.981065
  N      -8.909646      6.783590      1.073624
  C      -8.386953      5.630496      0.555445
  C      -9.133992      4.892319     -0.395048
  C      -8.652348      3.680865     -0.838660
  C      -7.430849      3.197967     -0.316290
  N      -6.680832      3.867904      0.542779
  C      -7.122682      5.087261      0.946724
  C      -6.433267      2.008284      6.223610
  C      -7.159710      3.229670      6.829097
  C      -8.426842      3.563015      6.067165
  O      -8.072893      4.015323      4.735479
  C      -9.009671      3.746705      3.778335
  C     -10.040977      4.624994      3.514625
  C     -10.983125      4.304151      2.511727
  N     -10.944629      3.211686      1.765311
  C      -9.898887      2.359366      1.975958
  C      -9.745227      1.228746      1.137292
  C      -8.659282      0.399538      1.316214
  C      -7.724492      0.697971      2.336997
  N      -7.840488      1.729469      3.157282
  C      -8.897428      2.564918      2.980627
  H      -3.857508     -1.498727      5.105492
  H      -4.718249     -0.405633      4.002105
  H      -2.131523     -1.906323      3.295357
  H      -3.768017     -2.403014      2.835222
  H      -2.513038     -1.169373      1.008609
  H      -2.557493      0.303546      2.030860
  H      -6.103573     -1.434434     -0.235838
  H      -6.718221     -0.542619     -2.485784
  H      -4.246849      3.239900     -3.181908
  H      -2.507049      4.491613     -1.832965
  H      -1.783443      3.537975      0.359725
  H      -3.097578      6.246459      5.611479
  H      -4.271642      5.307739      6.547695
  H      -5.510335      6.325684      4.879455
  H      -5.422789      4.622194      4.414983
  H      -3.296069      5.457561      2.985308
  H      -4.159275      7.021777      3.040701
  H      -6.338207      7.626143      3.113231
  H      -8.603673      8.308876      2.419990
  H     -10.095960      5.290335     -0.721133
  H      -9.224497      3.064320     -1.534150
  H      -7.079821      2.201262     -0.593810
  H      -6.830477      1.090860      6.705364
  H      -6.668971      1.945633      5.153099
  H      -6.487517      4.102167      6.834232
  H      -7.451499      3.039344      7.875219
  H      -9.002190      4.361076      6.567369
  H      -9.074768      2.673315      5.986091
  H     -10.107748      5.569420      4.055896
  H     -11.801324      5.002815      2.311294
  H     -10.469341      1.080934      0.334063
  H      -8.493814     -0.462454      0.668608
  H      -6.822985      0.082819      2.450485
  N      -4.465079      2.489478      3.478267
  N      -4.927113      2.650207      2.349513
  H      -4.339970      3.153175      1.672728
101
Coordinates from ORCA-job orca E -6484.262793045166
  N      -2.918258      0.334822      4.776962
  Mo     -3.609266      2.212369      5.074453
  N      -5.005703      2.019502      6.412503
  C      -4.547277      1.872828      7.795173
  C      -3.158551      1.242795      7.843472
  N      -2.252621      1.903960      6.870108
  C      -1.169749      1.011249      6.403153
  C      -1.693616     -0.078155      5.450844
  C      -1.723440      3.211472      7.340037
  C      -1.655031      4.144486      6.125370
  N      -2.916353      4.128677      5.397168
  H      -0.878653     -0.285488      4.729025
  H      -1.854247     -1.033089      5.996476
  H      -0.446540      1.648606      5.873482
  H      -0.639843      0.560230      7.262590
  H      -1.389817      5.165694      6.453652
  H      -0.821745      3.807860      5.477999
  H      -2.417710      3.613360      8.090902
  H      -0.736967      3.074312      7.819435
  H      -5.242231      1.226584      8.364322
  H      -4.539778      2.853416      8.311358
  H      -3.230148      0.186300      7.551790
  H      -2.739130      1.295134      8.865241
  C      -3.687070     -0.784362      4.258258
  C      -3.075518     -1.494740      3.038500
  C      -3.008305     -0.602798      1.815468
  O      -4.386858     -0.412352      1.367410
  C      -4.626158      0.077284      0.131866
  C      -5.610826     -0.555721     -0.614745
  C      -5.981888     -0.049054     -1.872819
  N      -5.461378      1.035899     -2.430465
  C      -4.498636      1.683271     -1.711913
  C      -3.956473      2.882872     -2.239899
  C      -3.003733      3.570371     -1.524634
  C      -2.574571      3.041730     -0.285813
  N      -3.054026      1.931582      0.254187
  C      -4.016455      1.250160     -0.429463
  C      -3.714493      5.333834      5.543525
  C      -4.804008      5.535932      4.487354
  C      -4.250020      5.905754      3.115466
  O      -5.049945      5.405261      2.019368
  C      -6.296336      5.858920      1.827553
  C      -6.851611      6.999921      2.391477
  C      -8.145406      7.399479      1.995052
  N      -8.895230      6.790347      1.088544
  C      -8.380421      5.640559      0.554888
  C      -9.139572      4.916397     -0.396841
  C      -8.665429      3.709859     -0.861553
  C      -7.438783      3.218931     -0.359212
  N      -6.678557      3.874385      0.502343
  C      -7.114060      5.088947      0.928805
  C      -6.446382      2.002969      6.244699
  C      -7.170480      3.231521      6.837262
  C      -8.437582      3.560593      6.073735
  O      -8.081042      4.007078      4.740729
  C      -9.016647      3.739404      3.782191
  C     -10.046897      4.618775      3.517711
  C     -10.986142      4.301060      2.511058
  N     -10.944141      3.211647      1.760158
  C      -9.897666      2.359954      1.969873
  C      -9.738083      1.234696      1.124894
  C      -8.649727      0.408298      1.301352
  C      -7.720824      0.701010      2.329497
  N      -7.844664      1.724620      3.158267
  C      -8.901053      2.560461      2.980618
  H      -3.822292     -1.526944      5.072818
  H      -4.689875     -0.426705      3.983088
  H      -2.058554     -1.848242      3.274714
  H      -3.674278     -2.387754      2.793389
  H      -2.450682     -1.083237      0.996067
  H      -2.557885      0.372115      2.039029
  H      -6.091502     -1.446773     -0.209090
  H      -6.753259     -0.569650     -2.450092
  H      -4.330432      3.232078     -3.203700
  H      -2.578681      4.505288     -1.891843
  H      -1.804342      3.565201      0.290336
  H      -3.059048      6.230488      5.566382
  H      -4.240911      5.327596      6.524992
  H      -5.476175      6.327673      4.850468
  H      -5.407170      4.619906      4.400740
  H      -3.277027      5.421519      2.955683
  H      -4.121109      6.996052      3.004604
  H      -6.304981      7.602507      3.115325
  H      -8.571518      8.302614      2.446014
  H     -10.103385      5.321915     -0.708044
  H      -9.245728      3.103854     -1.559541
  H      -7.090644      2.226747     -0.656183
  H      -6.853208      1.090256      6.727280
  H      -6.672817      1.936923      5.172205
  H      -6.497658      4.103841      6.830839
  H      -7.458727      3.053486      7.886552
  H      -9.011272      4.362330      6.570096
  H      -9.086862      2.671580      5.996338
  H     -10.114283      5.561850      4.061357
  H     -11.805440      4.998771      2.311138
  H     -10.459782      1.089288      0.318905
  H      -8.478887     -0.448078      0.647558
  H      -6.817916      0.087880      2.443475
  N      -4.472280      2.458293      3.510338
  N      -4.920531      2.604372      2.373581
  H      -4.340269      3.131488      1.708803
101
Coordinates from ORCA-job orca E -6484.267146206966
  N      -2.918091      0.329679      4.797351
  Mo     -3.623706      2.192768      5.103780
  N      -5.019165      2.016017      6.443331
  C      -4.563532      1.879678      7.828033
  C      -3.175521      1.247298      7.879749
  N      -2.268658      1.899037      6.900559
  C      -1.185536      1.002200      6.441317
  C      -1.706647     -0.089510      5.492775
  C      -1.739144      3.210642      7.355209
  C      -1.650148      4.122023      6.126534
  N      -2.903259      4.103399      5.381809
  H      -0.884968     -0.311149      4.783288
  H      -1.883559     -1.038522      6.043777
  H      -0.459290      1.635502      5.911375
  H      -0.659207      0.554134      7.304465
  H      -1.381270      5.146103      6.441954
  H      -0.811933      3.771425      5.493428
  H      -2.439971      3.627522      8.091636
  H      -0.758661      3.078170      7.848512
  H      -5.258808      1.238945      8.402898
  H      -4.554694      2.864322      8.336351
  H      -3.250349      0.189181      7.594390
  H      -2.754507      1.303904      8.900614
  C      -3.666547     -0.787828      4.243325
  C      -3.025536     -1.459622      3.017250
  C      -2.976797     -0.545699      1.809709
  O      -4.356858     -0.401135      1.349490
  C      -4.605771      0.088279      0.117277
  C      -5.591900     -0.551668     -0.622540
  C      -5.967635     -0.054761     -1.882294
  N      -5.451476      1.027491     -2.449649
  C      -4.489661      1.682987     -1.737455
  C      -3.952081      2.879851     -2.274931
  C      -3.000076      3.575741     -1.566857
  C      -2.567849      3.058728     -0.324643
  N      -3.041709      1.950300      0.223472
  C      -4.002768      1.260571     -0.452792
  C      -3.686323      5.321599      5.510529
  C      -4.780649      5.520092      4.460098
  C      -4.231419      5.869400      3.081024
  O      -5.045253      5.371794      1.994400
  C      -6.289432      5.838136      1.815494
  C      -6.827161      6.981050      2.392430
  C      -8.122238      7.394741      2.016176
  N      -8.889810      6.796512      1.117503
  C      -8.390930      5.646740      0.569273
  C      -9.169952      4.936808     -0.377072
  C      -8.710324      3.732452     -0.861193
  C      -7.478179      3.230686     -0.384055
  N      -6.700238      3.871739      0.472662
  C      -7.123188      5.083060      0.920098
  C      -6.459638      2.006517      6.269701
  C      -7.176009      3.247136      6.844297
  C      -8.444110      3.570235      6.079563
  O      -8.088026      4.002200      4.741388
  C      -9.028095      3.732488      3.787219
  C     -10.060679      4.610646      3.527898
  C     -11.004578      4.291835      2.526166
  N     -10.963730      3.203583      1.773636
  C      -9.913725      2.354649      1.975885
  C      -9.754611      1.232226      1.127015
  C      -8.661153      0.410699      1.293700
  C      -7.729020      0.702579      2.319019
  N      -7.854645      1.720714      3.154257
  C      -8.913556      2.554709      2.983209
  H      -3.800988     -1.550502      5.038816
  H      -4.670751     -0.439042      3.962718
  H      -2.001370     -1.788577      3.257008
  H      -3.595663     -2.365063      2.750526
  H      -2.394677     -0.992341      0.988464
  H      -2.564582      0.441146      2.052301
  H      -6.067263     -1.442943     -0.211275
  H      -6.738014     -0.582233     -2.454633
  H      -4.328586      3.220627     -3.240717
  H      -2.578567      4.508905     -1.942559
  H      -1.798699      3.588743      0.246781
  H      -3.017920      6.208879      5.509400
  H      -4.202368      5.343352      6.497227
  H      -5.442375      6.322113      4.819159
  H      -5.393061      4.609314      4.387996
  H      -3.265869      5.371250      2.919573
  H      -4.088670      6.956968      2.960128
  H      -6.266026      7.574049      3.112846
  H      -8.534399      8.298769      2.477932
  H     -10.135309      5.352422     -0.669293
  H      -9.303897      3.137275     -1.557035
  H      -7.138415      2.241758     -0.700071
  H      -6.876908      1.101943      6.758455
  H      -6.680278      1.932856      5.196516
  H      -6.499726      4.116651      6.818683
  H      -7.458586      3.088817      7.898205
  H      -9.013512      4.379421      6.568737
  H      -9.096733      2.682906      6.012664
  H     -10.126330      5.553329      4.072355
  H     -11.827547      4.986628      2.331497
  H     -10.481329      1.084871      0.325964
  H      -8.489881     -0.441815      0.635157
  H      -6.822594      0.093378      2.426508
  N      -4.490232      2.425220      3.538511
  N      -4.933345      2.551593      2.396448
  H      -4.364752      3.098505      1.736082
101
Coordinates from ORCA-job orca E -6484.271091606215
  N      -2.902793      0.328928      4.817696
  Mo     -3.630296      2.174537      5.135257
  N      -5.030717      2.004921      6.470708
  C      -4.583097      1.874291      7.858643
  C      -3.194459      1.243222      7.917996
  N      -2.284610      1.892165      6.939591
  C      -1.196007      0.996382      6.489881
  C      -1.707275     -0.095741      5.538635
  C      -1.761256      3.207453      7.387527
  C      -1.647981      4.102532      6.149812
  N      -2.888379      4.079698      5.381802
  H      -0.875491     -0.327656      4.844663
  H      -1.901639     -1.040524      6.091151
  H      -0.466296      1.629892      5.965309
  H      -0.676224      0.549539      7.357648
  H      -1.381406      5.129270      6.457974
  H      -0.800533      3.743467      5.534434
  H      -2.474365      3.634485      8.106193
  H      -0.789892      3.080332      7.900407
  H      -5.279987      1.234826      8.432987
  H      -4.577625      2.860839      8.363259
  H      -3.268228      0.184310      7.634714
  H      -2.776492      1.301563      8.940033
  C      -3.626989     -0.787779      4.226581
  C      -2.959558     -1.420074      2.993735
  C      -2.943451     -0.488089      1.799039
  O      -4.327881     -0.400404      1.337674
  C      -4.607289      0.086987      0.112508
  C      -5.601053     -0.567369     -0.605243
  C      -6.009309     -0.079614     -1.857847
  N      -5.520626      1.008320     -2.438946
  C      -4.554538      1.679587     -1.747819
  C      -4.047931      2.884123     -2.297587
  C      -3.094362      3.597874     -1.609676
  C      -2.629088      3.091256     -0.375460
  N      -3.071463      1.974966      0.182526
  C      -4.033870      1.267283     -0.472530
  C      -3.663208      5.306646      5.493624
  C      -4.756809      5.503034      4.443043
  C      -4.204665      5.842492      3.062260
  O      -5.022940      5.351069      1.976530
  C      -6.264570      5.826454      1.800424
  C      -6.794255      6.969421      2.385002
  C      -8.088823      7.391508      2.017165
  N      -8.864002      6.800719      1.120112
  C      -8.371746      5.653163      0.561484
  C      -9.158506      4.953737     -0.386553
  C      -8.702959      3.754509     -0.886974
  C      -7.466866      3.247907     -0.425812
  N      -6.682878      3.877601      0.434275
  C      -7.103535      5.082979      0.900342
  C      -6.470594      2.000820      6.287252
  C      -7.182054      3.250170      6.848228
  C      -8.449294      3.570456      6.080764
  O      -8.087456      3.991997      4.740876
  C      -9.026943      3.725413      3.785179
  C     -10.056283      4.606670      3.523488
  C     -10.996067      4.292774      2.516265
  N     -10.952861      3.207424      1.759588
  C      -9.905524      2.355693      1.964397
  C      -9.742943      1.236542      1.111849
  C      -8.651679      0.412623      1.281832
  C      -7.727207      0.696929      2.316240
  N      -7.857400      1.710705      3.155970
  C      -8.911678      2.549121      2.979204
  H      -3.757151     -1.569858      5.003272
  H      -4.633663     -0.450321      3.941617
  H      -1.925865     -1.718294      3.232357
  H      -3.497602     -2.340244      2.711159
  H      -2.340038     -0.896707      0.973502
  H      -2.575134      0.511874      2.056456
  H      -6.055274     -1.464423     -0.182709
  H      -6.783737     -0.619598     -2.412945
  H      -4.449683      3.217053     -3.255969
  H      -2.697302      4.537942     -1.994743
  H      -1.859175      3.635998      0.180940
  H      -2.986169      6.187251      5.477315
  H      -4.174919      5.348001      6.481933
  H      -5.413987      6.310362      4.798103
  H      -5.374304      4.595449      4.375853
  H      -3.243965      5.334544      2.902412
  H      -4.051010      6.928350      2.938780
  H      -6.227225      7.555492      3.106307
  H      -8.494651      8.294969      2.485665
  H     -10.124846      5.374499     -0.668028
  H      -9.300914      3.167371     -1.585903
  H      -7.127618      2.264565     -0.759736
  H      -6.897935      1.101593      6.777095
  H      -6.682868      1.923745      5.212487
  H      -6.502141      4.116551      6.808695
  H      -7.461819      3.106951      7.905009
  H      -9.016375      4.385021      6.563765
  H      -9.104731      2.684913      6.018394
  H     -10.121773      5.548331      4.069798
  H     -11.817459      4.989101      2.319944
  H     -10.465592      1.092705      0.306417
  H      -8.477263     -0.437008      0.620245
  H      -6.823176      0.085119      2.428500
  N      -4.491060      2.397299      3.566591
  N      -4.922821      2.508777      2.417960
  H      -4.367730      3.088460      1.774021
101
Coordinates from ORCA-job orca E -6484.274732561859
  N      -2.900410      0.325492      4.834296
  Mo     -3.642332      2.157486      5.156978
  N      -5.042713      2.004780      6.495930
  C      -4.598225      1.884337      7.885840
  C      -3.211235      1.249673      7.950139
  N      -2.299997      1.887591      6.965817
  C      -1.211751      0.985840      6.526389
  C      -1.722285     -0.108249      5.579461
  C      -1.775492      3.206118      7.399546
  C      -1.639154      4.079734      6.149653
  N      -2.870174      4.053460      5.365059
  H      -0.884188     -0.358311      4.899858
  H      -1.938521     -1.044684      6.138008
  H      -0.477298      1.613427      6.001757
  H      -0.698091      0.541550      7.399052
  H      -1.370765      5.109361      6.445800
  H      -0.786806      3.707309      5.549821
  H      -2.496673      3.649529      8.100075
  H      -0.812751      3.082323      7.929565
  H      -5.296929      1.250970      8.464728
  H      -4.590688      2.874738      8.382689
  H      -3.289369      0.188999      7.674153
  H      -2.791930      1.312769      8.971325
  C      -3.604898     -0.787384      4.209167
  C      -2.912632     -1.383424      2.972424
  C      -2.918157     -0.435195      1.790238
  O      -4.299625     -0.392556      1.316023
  C      -4.587623      0.096062      0.094714
  C      -5.578657     -0.565518     -0.621066
  C      -5.987056     -0.085830     -1.876203
  N      -5.501011      1.000477     -2.463248
  C      -4.540132      1.680116     -1.773294
  C      -4.035857      2.882396     -2.329752
  C      -3.088074      3.605130     -1.643335
  C      -2.627983      3.111042     -0.402229
  N      -3.066554      1.996133      0.161055
  C      -4.021451      1.278314     -0.493574
  C      -3.634446      5.289707      5.463241
  C      -4.734823      5.481645      4.420247
  C      -4.188640      5.804420      3.033203
  O      -5.020389      5.316728      1.956019
  C      -6.258524      5.806895      1.791482
  C      -6.769243      6.953878      2.385071
  C      -8.064702      7.389183      2.036760
  N      -8.858515      6.807180      1.150613
  C      -8.383539      5.658432      0.580128
  C      -9.189535      4.970473     -0.360120
  C      -8.748171      3.773124     -0.876944
  C      -7.506821      3.257232     -0.441139
  N      -6.705874      3.875397      0.411825
  C      -7.114490      5.077208      0.896485
  C      -6.482519      2.009857      6.308541
  C      -7.183480      3.272961      6.850353
  C      -8.452606      3.586566      6.082879
  O      -8.091754      3.987814      4.736368
  C      -9.037251      3.718973      3.787069
  C     -10.070091      4.597847      3.531269
  C     -11.015426      4.281150      2.530149
  N     -10.973680      3.196195      1.772825
  C      -9.922590      2.347452      1.970789
  C      -9.761921      1.229009      1.116998
  C      -8.666303      0.409251      1.279150
  C      -7.737765      0.694770      2.309410
  N      -7.867499      1.706066      3.152251
  C      -8.923987      2.542732      2.980570
  H      -3.734502     -1.586906      4.967426
  H      -4.611740     -0.455911      3.918408
  H      -1.872574     -1.655168      3.214027
  H      -3.422378     -2.314338      2.673533
  H      -2.291861     -0.808820      0.965292
  H      -2.588494      0.573513      2.064506
  H      -6.027778     -1.464055     -0.196235
  H      -6.757523     -0.632475     -2.430234
  H      -4.434404      3.206318     -3.292512
  H      -2.692392      4.543243     -2.034722
  H      -1.864093      3.663755      0.154590
  H      -2.947714      6.162011      5.424615
  H      -4.134573      5.353496      6.456017
  H      -5.383850      6.296305      4.773029
  H      -5.358950      4.578090      4.365199
  H      -3.235267      5.283444      2.871940
  H      -4.022012      6.887364      2.901457
  H      -6.186970      7.532232      3.100257
  H      -8.455483      8.295067      2.513197
  H     -10.157173      5.399741     -0.623598
  H      -9.358873      3.195390     -1.572545
  H      -7.175908      2.277506     -0.793406
  H      -6.920321      1.120198      6.806492
  H      -6.691235      1.923508      5.233765
  H      -6.498151      4.133835      6.787867
  H      -7.456230      3.153158      7.911792
  H      -9.015026      4.409915      6.556350
  H      -9.111730      2.702924      6.034347
  H     -10.134401      5.539575      4.077594
  H     -11.840622      4.974522      2.339460
  H     -10.490501      1.081088      0.317750
  H      -8.492697     -0.438932      0.615542
  H      -6.831368      0.085608      2.416464
  N      -4.508182      2.367877      3.589046
  N      -4.940652      2.459224      2.438154
  H      -4.405483      3.061753      1.796676
101
Coordinates from ORCA-job orca E -6484.278104512024
  N      -2.886023      0.322587      4.851748
  Mo     -3.646982      2.140555      5.179778
  N      -5.052156      1.998727      6.517723
  C      -4.615207      1.885806      7.910702
  C      -3.229036      1.250377      7.983611
  N      -2.314435      1.881419      6.997997
  C      -1.223042      0.977019      6.570583
  C      -1.727548     -0.118628      5.624003
  C      -1.793418      3.203255      7.422919
  C      -1.631477      4.058898      6.164416
  N      -2.850017      4.028560      5.359548
  H      -0.880688     -0.384532      4.961677
  H      -1.966302     -1.047336      6.186171
  H      -0.483587      1.601442      6.049563
  H      -0.717568      0.534620      7.448957
  H      -1.364765      5.091163      6.452393
  H      -0.771548      3.676414      5.582637
  H      -2.526473      3.659516      8.102680
  H      -0.841675      3.083614      7.973666
  H      -5.316836      1.255745      8.489715
  H      -4.609265      2.878609      8.402711
  H      -3.308196      0.188365      7.712657
  H      -2.812280      1.317295      9.005606
  C      -3.567839     -0.786991      4.193229
  C      -2.852556     -1.345213      2.952164
  C      -2.889437     -0.383509      1.780820
  O      -4.268938     -0.392072      1.300661
  C      -4.580323      0.096710      0.085878
  C      -5.573234     -0.578025     -0.615653
  C      -6.004957     -0.105738     -1.865314
  N      -5.541411      0.985927     -2.460846
  C      -4.581673      1.680010     -1.784140
  C      -4.102551      2.888600     -2.349144
  C      -3.159044      3.628291     -1.675334
  C      -2.678519      3.145526     -0.437447
  N      -3.091252      2.024208      0.132183
  C      -4.040591      1.288077     -0.510302
  C      -3.609122      5.270524      5.445536
  C      -4.712263      5.458583      4.405522
  C      -4.165997      5.773318      3.016645
  O      -5.003582      5.291573      1.941093
  C      -6.238001      5.793235      1.780072
  C      -6.737573      6.942287      2.379066
  C      -8.032707      7.386409      2.040998
  N      -8.836722      6.810982      1.160018
  C      -8.371324      5.662911      0.580597
  C      -9.187144      4.983820     -0.357585
  C      -8.752527      3.790101     -0.887949
  C      -7.507427      3.269026     -0.469429
  N      -6.698298      3.878094      0.382521
  C      -7.102039      5.074808      0.883572
  C      -6.491420      2.012036      6.322933
  C      -7.184037      3.286415      6.848121
  C      -8.453587      3.595889      6.079423
  O      -8.090800      3.980195      4.728491
  C      -9.039423      3.713089      3.781967
  C     -10.072418      4.592586      3.528692
  C     -11.018393      4.277876      2.527489
  N     -10.976610      3.195058      1.767047
  C      -9.925736      2.345494      1.963051
  C      -9.765496      1.228693      1.107081
  C      -8.670594      0.407774      1.268439
  C      -7.743885      0.689152      2.301444
  N      -7.873576      1.698398      3.146807
  C      -8.927717      2.537773      2.974059
  H      -3.694171     -1.603803      4.932880
  H      -4.575787     -0.463669      3.897436
  H      -1.804694     -1.584870      3.193523
  H      -3.330771     -2.288752      2.641384
  H      -2.243176     -0.718974      0.954990
  H      -2.602945      0.634008      2.069727
  H      -6.004017     -1.482416     -0.184258
  H      -6.775562     -0.663516     -2.407943
  H      -4.517312      3.203755     -3.307968
  H      -2.782994      4.571488     -2.073882
  H      -1.919261      3.713037      0.110835
  H      -2.916488      6.137335      5.391884
  H      -4.102468      5.349818      6.440283
  H      -5.358259      6.276381      4.756246
  H      -5.339421      4.556869      4.355419
  H      -3.217706      5.242980      2.856402
  H      -3.989162      6.854283      2.882357
  H      -6.147329      7.514938      3.092188
  H      -8.414620      8.293270      2.522742
  H     -10.155653      5.417814     -0.609880
  H      -9.369690      3.219810     -1.583957
  H      -7.179255      2.294260     -0.837850
  H      -6.939764      1.130364      6.825700
  H      -6.694413      1.918797      5.247602
  H      -6.493606      4.141783      6.767432
  H      -7.452097      3.186107      7.912729
  H      -9.012597      4.426348      6.544429
  H      -9.116016      2.714201      6.040686
  H     -10.136014      5.533620      4.076322
  H     -11.843919      4.971537      2.339153
  H     -10.494669      1.081409      0.308286
  H      -8.496938     -0.439164      0.603222
  H      -6.839183      0.077679      2.409309
  N      -4.512059      2.340961      3.610053
  N      -4.941616      2.416029      2.456436
  H      -4.430285      3.051095      1.826039
101
Coordinates from ORCA-job orca E -6484.281237417427
  N      -2.873790      0.318238      4.866048
  Mo     -3.651489      2.125139      5.195395
  N      -5.060972      1.996753      6.533829
  C      -4.631076      1.892612      7.929715
  C      -3.246520      1.255056      8.011524
  N      -2.328391      1.876449      7.023191
  C      -1.235547      0.967155      6.608965
  C      -1.736644     -0.130856      5.665603
  C      -1.808709      3.201331      7.437419
  C      -1.621145      4.037768      6.170266
  N      -2.828110      4.004044      5.347695
  H      -0.882199     -0.416430      5.021563
  H      -2.000340     -1.049284      6.233202
  H      -0.490390      1.586180      6.090000
  H      -0.738687      0.527297      7.493494
  H      -1.354522      5.072429      6.449293
  H      -0.755193      3.643882      5.605985
  H      -2.552539      3.671842      8.095493
  H      -0.868329      3.085328      8.008369
  H      -5.336166      1.267263      8.509710
  H      -4.625603      2.888219      8.416035
  H      -3.328090      0.191376      7.747512
  H      -2.831737      1.327133      9.033978
  C      -3.532940     -0.788075      4.177095
  C      -2.794476     -1.307451      2.932853
  C      -2.863252     -0.333892      1.772624
  O      -4.237559     -0.394157      1.284388
  C      -4.567438      0.096432      0.076320
  C      -5.559922     -0.587941     -0.617034
  C      -6.005672     -0.120708     -1.863329
  N      -5.556070      0.974090     -2.464227
  C      -4.598559      1.678149     -1.794737
  C      -4.133134      2.889177     -2.366049
  C      -3.193750      3.640157     -1.699130
  C      -2.705131      3.167249     -0.460382
  N      -3.103080      2.043299      0.113613
  C      -4.046309      1.294460     -0.523212
  C      -3.582738      5.250757      5.424666
  C      -4.690903      5.434867      4.389836
  C      -4.147463      5.741784      2.998229
  O      -4.993583      5.265768      1.926365
  C      -6.224389      5.779614      1.772298
  C      -6.710313      6.930479      2.378754
  C      -8.005883      7.384164      2.055282
  N      -8.823092      6.816104      1.182024
  C      -8.369722      5.668859      0.591694
  C      -9.198723      4.999202     -0.341543
  C      -8.773487      3.809069     -0.887006
  C      -7.523752      3.282148     -0.490029
  N      -6.703310      3.881976      0.357752
  C      -7.099524      5.073455      0.876711
  C      -6.499794      2.019611      6.333365
  C      -7.182351      3.305987      6.841486
  C      -8.454153      3.610192      6.074406
  O      -8.093261      3.974926      4.717702
  C      -9.047645      3.707891      3.777360
  C     -10.083938      4.585343      3.530223
  C     -11.033140      4.270086      2.532203
  N     -10.991357      3.189285      1.768763
  C      -9.938099      2.341383      1.959538
  C      -9.778832      1.225916      1.101650
  C      -8.682208      0.406427      1.258983
  C      -7.754335      0.686507      2.291270
  N      -7.883129      1.694093      3.138743
  C      -8.937548      2.533572      2.968088
  H      -3.654936     -1.621676      4.898044
  H      -4.542062     -0.473483      3.876195
  H      -1.739536     -1.512582      3.174895
  H      -3.239034     -2.263413      2.610533
  H      -2.197207     -0.629499      0.947446
  H      -2.622760      0.691102      2.076882
  H      -5.977690     -1.496802     -0.182228
  H      -6.775186     -0.686314     -2.399386
  H      -4.555103      3.196686     -3.324213
  H      -2.827841      4.584803     -2.103741
  H      -1.951119      3.745351      0.084073
  H      -2.885071      6.112410      5.355490
  H      -4.067230      5.344303      6.422260
  H      -5.333732      6.255331      4.739912
  H      -5.320546      4.534660      4.345527
  H      -3.204682      5.201989      2.837170
  H      -3.960675      6.820599      2.860775
  H      -6.109890      7.496799      3.088331
  H      -8.376855      8.291784      2.544103
  H     -10.168660      5.438102     -0.579487
  H      -9.399858      3.247007     -1.581449
  H      -7.200345      2.312433     -0.875618
  H      -6.958558      1.147266      6.843008
  H      -6.698979      1.917859      5.258040
  H      -6.486939      4.155196      6.740178
  H      -7.443240      3.226706      7.909586
  H      -9.008919      4.448202      6.530831
  H      -9.119621      2.730246      6.048743
  H     -10.147502      5.525508      4.079362
  H     -11.861298      4.962050      2.349063
  H     -10.511203      1.076920      0.306138
  H      -8.508877     -0.439466      0.592273
  H      -6.849759      0.074659      2.397322
  N      -4.518965      2.315255      3.625352
  N      -4.950571      2.373884      2.471121
  H      -4.468578      3.037149      1.845462
101
Coordinates from ORCA-job orca E -6484.284135249452
  N      -2.859573      0.310980      4.881048
  Mo     -3.652718      2.109274      5.208231
  N      -5.067696      1.994842      6.545885
  C      -4.646145      1.900286      7.944993
  C      -3.263582      1.260393      8.037704
  N      -2.340959      1.871032      7.047148
  C      -1.247117      0.955880      6.647755
  C      -1.745602     -0.145504      5.708949
  C      -1.822317      3.198802      7.450861
  C      -1.609310      4.016148      6.175945
  N      -2.804856      3.979372      5.336643
  H      -0.883982     -0.453156      5.085016
  H      -2.035989     -1.051766      6.282688
  H      -0.495635      1.568355      6.130481
  H      -0.759677      0.519364      7.539147
  H      -1.342091      5.052892      6.446315
  H      -0.737995      3.610886      5.628898
  H      -2.576701      3.683083      8.086552
  H      -0.893786      3.086734      8.041832
  H      -5.355557      1.280218      8.525452
  H      -4.641496      2.898874      8.425187
  H      -3.347537      0.194858      7.781724
  H      -2.851774      1.338773      9.060884
  C      -3.496156     -0.791596      4.163810
  C      -2.735365     -1.271752      2.917324
  C      -2.834949     -0.286564      1.768892
  O      -4.202297     -0.395205      1.271327
  C      -4.551982      0.097684      0.070343
  C      -5.543777     -0.598259     -0.613092
  C      -6.007471     -0.136722     -1.854510
  N      -5.576349      0.962499     -2.460932
  C      -4.621173      1.678379     -1.800785
  C      -4.174942      2.893511     -2.378740
  C      -3.240627      3.658308     -1.720796
  C      -2.739073      3.195947     -0.483009
  N      -3.117385      2.068031      0.095795
  C      -4.053476      1.303713     -0.533338
  C      -3.556814      5.229394      5.406475
  C      -4.669315      5.409266      4.376024
  C      -4.127951      5.711022      2.982693
  O      -4.981174      5.240857      1.913442
  C      -6.208640      5.765569      1.765208
  C      -6.682719      6.917512      2.378600
  C      -7.978688      7.379339      2.068283
  N      -8.807164      6.817962      1.201681
  C      -8.363918      5.672177      0.601006
  C      -9.204186      5.011234     -0.328117
  C      -8.786893      3.825081     -0.887958
  C      -7.532845      3.293673     -0.510897
  N      -6.702819      3.885051      0.333569
  C      -7.092832      5.070854      0.869705
  C      -6.505906      2.027616      6.339363
  C      -7.177596      3.326177      6.829950
  C      -8.452440      3.625702      6.065991
  O      -8.095565      3.969888      4.703048
  C      -9.056938      3.703377      3.770046
  C     -10.097371      4.578453      3.531574
  C     -11.051013      4.263209      2.537819
  N     -11.009958      3.185208      1.770304
  C      -9.953970      2.339055      1.953663
  C      -9.796864      1.225491      1.092901
  C      -8.698641      0.407037      1.244509
  C      -7.768099      0.685244      2.274873
  N      -7.894279      1.691157      3.124705
  C      -8.949356      2.530723      2.958279
  H      -3.614307     -1.641229      4.866030
  H      -4.506058     -0.485421      3.857190
  H      -1.674746     -1.442761      3.160860
  H      -3.145796     -2.238740      2.582821
  H      -2.150906     -0.541968      0.945277
  H      -2.639363      0.742868      2.089286
  H      -5.945486     -1.512434     -0.174310
  H      -6.775929     -0.711538     -2.382212
  H      -4.607823      3.192592     -3.334700
  H      -2.889311      4.605772     -2.131779
  H      -1.990937      3.786739      0.055915
  H      -2.855839      6.087183      5.323954
  H      -4.033367      5.334685      6.406500
  H      -5.310854      6.230789      4.725676
  H      -5.299700      4.509393      4.335762
  H      -3.189969      5.163390      2.820554
  H      -3.932766      6.788033      2.843470
  H      -6.073796      7.478179      3.085292
  H      -8.340171      8.287178      2.563740
  H     -10.175550      5.453814     -0.552992
  H      -9.421391      3.270684     -1.581141
  H      -7.213090      2.329312     -0.912678
  H      -6.975359      1.165467      6.856632
  H      -6.701673      1.916373      5.264341
  H      -6.477309      4.168606      6.707543
  H      -7.430377      3.267981      7.901312
  H      -9.001829      4.471611      6.514208
  H      -9.121389      2.748009      6.054812
  H     -10.160556      5.517194      4.083170
  H     -11.882176      4.953392      2.361615
  H     -10.533281      1.075635      0.301335
  H      -8.526644     -0.437510      0.575736
  H      -6.863721      0.072813      2.377696
  N      -4.522195      2.289375      3.637356
  N      -4.957588      2.332692      2.483633
  H      -4.510851      3.026123      1.863618
101
Coordinates from ORCA-job orca E -6484.286813400371
  N      -2.842839      0.303940      4.893534
  Mo     -3.651390      2.095125      5.216598
  N      -5.072623      1.993074      6.551945
  C      -4.660349      1.907405      7.954459
  C      -3.279717      1.265562      8.059104
  N      -2.352101      1.866167      7.067399
  C      -1.256893      0.946004      6.682954
  C      -1.752918     -0.158966      5.749397
  C      -1.835031      3.196591      7.462120
  C      -1.598028      3.996663      6.181136
  N      -2.782594      3.957326      5.326200
  H      -0.884980     -0.489699      5.146381
  H      -2.070402     -1.051982      6.329234
  H      -0.499502      1.552243      6.167251
  H      -0.778615      0.513164      7.581099
  H      -1.330067      5.035111      6.444084
  H      -0.721927      3.581453      5.650007
  H      -2.599711      3.692724      8.075964
  H      -0.918378      3.088872      8.072296
  H      -5.374491      1.292195      8.534374
  H      -4.657206      2.908679      8.429094
  H      -3.365508      0.198257      7.810965
  H      -2.871773      1.350373      9.083310
  C      -3.455377     -0.796314      4.150872
  C      -2.672763     -1.236393      2.902995
  C      -2.807647     -0.243320      1.765139
  O      -4.166316     -0.404591      1.259994
  C      -4.537417      0.089979      0.067136
  C      -5.527644     -0.617713     -0.607173
  C      -6.009297     -0.160695     -1.843065
  N      -5.596811      0.943576     -2.453652
  C      -4.644172      1.670596     -1.801930
  C      -4.215743      2.889704     -2.385084
  C      -3.285965      3.666557     -1.734892
  C      -2.772622      3.213268     -0.498412
  N      -3.132869      2.081695      0.084002
  C      -4.061965      1.303945     -0.538871
  C      -3.533756      5.209175      5.392160
  C      -4.649961      5.385982      4.365580
  C      -4.110420      5.686487      2.971408
  O      -4.970000      5.223441      1.903793
  C      -6.194501      5.758040      1.761924
  C      -6.657448      6.910157      2.383058
  C      -7.954019      7.379318      2.086286
  N      -8.793273      6.824396      1.226201
  C      -8.359356      5.680821      0.614592
  C      -9.210492      5.028626     -0.310569
  C      -8.800422      3.847380     -0.885811
  C      -7.541797      3.312505     -0.529326
  N      -6.702577      3.895241      0.312222
  C      -7.087019      5.074578      0.866362
  C      -6.510083      2.035973      6.338888
  C      -7.170980      3.345852      6.813171
  C      -8.449775      3.641008      6.054031
  O      -8.098588      3.964799      4.684871
  C      -9.067501      3.699001      3.759911
  C     -10.112950      4.570929      3.531476
  C     -11.070707      4.256045      2.541576
  N     -11.029648      3.181630      1.768878
  C      -9.970604      2.337581      1.944221
  C      -9.815282      1.226226      1.080204
  C      -8.715398      0.408877      1.226033
  C      -7.782322      0.685121      2.254664
  N      -7.905965      1.689351      3.106786
  C      -8.961953      2.528690      2.944839
  H      -3.566689     -1.660924      4.835313
  H      -4.467018     -0.501563      3.839200
  H      -1.607007     -1.369192      3.147965
  H      -3.045245     -2.214894      2.557634
  H      -2.108117     -0.457098      0.942912
  H      -2.659706      0.789454      2.099902
  H      -5.912657     -1.537658     -0.165505
  H      -6.776298     -0.744351     -2.363205
  H      -4.658575      3.181492     -3.338748
  H      -2.947765      4.616523     -2.151119
  H      -2.030046      3.815274      0.035764
  H      -2.830921      6.064420      5.299248
  H      -4.003187      5.322839      6.394481
  H      -5.291701      6.206862      4.716096
  H      -5.279624      4.485527      4.326799
  H      -3.176568      5.132676      2.806728
  H      -3.908227      6.762223      2.832875
  H      -6.040522      7.465211      3.087129
  H      -8.306663      8.286695      2.588908
  H     -10.183529      5.474165     -0.521929
  H      -9.442681      3.300842     -1.578051
  H      -7.225049      2.354339     -0.948053
  H      -6.990139      1.183865      6.863084
  H      -6.702517      1.915942      5.264202
  H      -6.466546      4.181507      6.669946
  H      -7.414548      3.307590      7.887532
  H      -8.993218      4.494564      6.494879
  H      -9.122071      2.765727      6.057909
  H     -10.176518      5.507555      4.086603
  H     -11.905359      4.943959      2.372915
  H     -10.555620      1.075713      0.292439
  H      -8.544544     -0.434216      0.555066
  H      -6.878146      0.072229      2.354614
  N      -4.523162      2.266604      3.645250
  N      -4.964207      2.297424      2.493137
  H      -4.558340      3.021071      1.878577
101
Coordinates from ORCA-job orca E -6484.289268047431
  N      -2.826853      0.293816      4.907567
  Mo     -3.649081      2.079536      5.224245
  N      -5.076533      1.991180      6.556438
  C      -4.673673      1.915654      7.962387
  C      -3.295387      1.271373      8.080108
  N      -2.362342      1.860408      7.086898
  C      -1.266560      0.934419      6.717720
  C      -1.761587     -0.174885      5.790849
  C      -1.845718      3.193360      7.471968
  C      -1.586743      3.975871      6.185010
  N      -2.761753      3.934397      5.316601
  H      -0.888724     -0.529907      5.209057
  H      -2.106291     -1.053415      6.377053
  H      -0.503599      1.533623      6.202274
  H      -0.796765      0.506257      7.622600
  H      -1.316424      5.015782      6.439676
  H      -0.707435      3.550277      5.668091
  H      -2.619254      3.701063      8.064916
  H      -0.940322      3.090416      8.099644
  H      -5.393028      1.306335      8.542142
  H      -4.671611      2.920117      8.430267
  H      -3.383473      0.202097      7.841320
  H      -2.891562      1.363998      9.105237
  C      -3.414998     -0.803619      4.140328
  C      -2.611377     -1.203086      2.891976
  C      -2.777725     -0.201912      1.765092
  O      -4.126164     -0.409239      1.250331
  C      -4.518985      0.088540      0.066241
  C      -5.508613     -0.630834     -0.597369
  C      -6.011074     -0.178294     -1.826149
  N      -5.619547      0.931271     -2.441006
  C      -4.668268      1.669398     -1.799901
  C      -4.260688      2.893011     -2.388595
  C      -3.334911      3.682558     -1.748321
  C      -2.805790      3.238340     -0.515124
  N      -3.145294      2.102676      0.071392
  C      -4.068100      1.310698     -0.542875
  C      -3.512190      5.187878      5.379111
  C      -4.631232      5.361227      4.355438
  C      -4.092896      5.659113      2.960424
  O      -4.958721      5.202375      1.894821
  C      -6.180144      5.746726      1.757957
  C      -6.632478      6.899626      2.385006
  C      -7.929245      7.375661      2.099822
  N      -8.778095      6.826266      1.245773
  C      -8.352827      5.684289      0.625131
  C      -9.213473      5.039861     -0.296473
  C      -8.810011      3.862837     -0.884967
  C      -7.547765      3.324884     -0.546218
  N      -6.700552      3.899924      0.292801
  C      -7.079879      5.073475      0.862440
  C      -6.513156      2.044872      6.337053
  C      -7.161773      3.366751      6.794069
  C      -8.444982      3.658267      6.040828
  O      -8.100702      3.959411      4.665010
  C      -9.078236      3.695063      3.749140
  C     -10.129129      4.563798      3.533223
  C     -11.092608      4.249828      2.548626
  N     -11.052869      3.179517      1.770011
  C      -9.990458      2.337615      1.934879
  C      -9.838494      1.228887      1.066799
  C      -8.736565      0.412788      1.204141
  C      -7.798826      0.686836      2.229149
  N      -7.918404      1.688937      3.084262
  C      -8.975895      2.527776      2.929618
  H      -3.519607     -1.682537      4.806951
  H      -4.428107     -0.520240      3.823160
  H      -1.542511     -1.299166      3.140344
  H      -2.946267     -2.190725      2.534130
  H      -2.064753     -0.375010      0.945134
  H      -2.674218      0.831004      2.114717
  H      -5.875775     -1.556527     -0.152521
  H      -6.777588     -0.770670     -2.337101
  H      -4.716411      3.177608     -3.338365
  H      -3.012363      4.635652     -2.169855
  H      -2.068094      3.851956      0.012598
  H      -2.807769      6.040774      5.276530
  H      -3.975210      5.309573      6.383345
  H      -5.273574      6.181744      4.705441
  H      -5.259908      4.460092      4.318437
  H      -3.163309      5.098954      2.793432
  H      -3.883566      6.733405      2.821800
  H      -6.008329      7.449808      3.086454
  H      -8.273683      8.283095      2.607979
  H     -10.187649      5.488190     -0.496267
  H      -9.458902      3.323475     -1.576606
  H      -7.233642      2.372368     -0.979814
  H      -7.004196      1.203889      6.869018
  H      -6.702857      1.915114      5.263042
  H      -6.452940      4.194508      6.628707
  H      -7.395066      3.349341      7.871218
  H      -8.980673      4.520651      6.473847
  H      -9.121733      2.786606      6.061548
  H     -10.192242      5.497877      4.092670
  H     -11.931011      4.935423      2.389202
  H     -10.584345      1.077996      0.284330
  H      -8.568132     -0.428501      0.530275
  H      -6.894551      0.073676      2.324380
  N      -4.523089      2.242086      3.652601
  N      -4.971816      2.260298      2.503288
  H      -4.611436      3.012649      1.893880
101
Coordinates from ORCA-job orca E -6484.291487519898
  N      -2.809575      0.285720      4.918764
  Mo     -3.645388      2.066384      5.228904
  N      -5.079025      1.989168      6.556745
  C      -4.685625      1.922403      7.966034
  C      -3.309341      1.276472      8.096696
  N      -2.370955      1.855579      7.103007
  C      -1.274158      0.925279      6.747694
  C      -1.768486     -0.188054      5.827594
  C      -1.855542      3.190855      7.480278
  C      -1.577666      3.958495      6.188970
  N      -2.744376      3.915408      5.308921
  H      -0.892049     -0.566497      5.266150
  H      -2.138914     -1.052157      6.419453
  H      -0.506997      1.518565      6.231874
  H      -0.811251      0.501958      7.658411
  H      -1.304891      4.999502      6.436566
  H      -0.695957      3.524351      5.683803
  H      -2.637202      3.707650      8.054508
  H      -0.960577      3.093020      8.123620
  H      -5.410003      1.318025      8.544746
  H      -4.685220      2.929578      8.428058
  H      -3.398914      0.205431      7.866458
  H      -2.910157      1.376566      9.122896
  C      -3.372233     -0.809988      4.129143
  C      -2.549029     -1.170931      2.881561
  C      -2.748917     -0.167853      1.761944
  O      -4.085863     -0.423481      1.240575
  C      -4.502002      0.077019      0.066571
  C      -5.490984     -0.652922     -0.587242
  C      -6.013658     -0.203167     -1.808197
  N      -5.641992      0.911960     -2.425698
  C      -4.691917      1.659665     -1.793928
  C      -4.302693      2.887493     -2.386281
  C      -3.380142      3.687316     -1.754092
  C      -2.837127      3.250158     -0.524421
  N      -3.158104      2.110552      0.064345
  C      -4.075163      1.307140     -0.543295
  C      -3.494969      5.169622      5.370443
  C      -4.616059      5.340693      4.348987
  C      -4.078406      5.638004      2.953720
  O      -4.949977      5.188937      1.889351
  C      -6.168142      5.743213      1.757379
  C      -6.609970      6.896686      2.390410
  C      -7.906698      7.379532      2.116397
  N      -8.764784      6.835699      1.268154
  C      -8.348090      5.695500      0.638536
  C      -9.217836      5.058965     -0.279861
  C      -8.820681      3.886496     -0.881669
  C      -7.555112      3.345709     -0.560335
  N      -6.700330      3.912711      0.276714
  C      -7.074762      5.080253      0.861710
  C      -6.514667      2.053233      6.330854
  C      -7.151980      3.385584      6.772626
  C      -8.440052      3.673512      6.026088
  O      -8.102952      3.951990      4.643987
  C      -9.088717      3.689632      3.736830
  C     -10.144875      4.555183      3.533232
  C     -11.112764      4.243035      2.552441
  N     -11.073641      3.177381      1.767218
  C     -10.008441      2.337238      1.922471
  C      -9.859318      1.231232      1.050335
  C      -8.756039      0.415658      1.180450
  C      -7.814700      0.686863      2.202927
  N      -7.930673      1.686998      3.060765
  C      -8.989015      2.525843      2.912368
  H      -3.467563     -1.701610      4.779609
  H      -4.387597     -0.540420      3.807167
  H      -1.478199     -1.227350      3.133654
  H      -2.844456     -2.167810      2.514753
  H      -2.025745     -0.302743      0.944022
  H      -2.689973      0.864965      2.121874
  H      -5.840728     -1.584483     -0.140668
  H      -6.779739     -0.803067     -2.311014
  H      -4.769692      3.166712     -3.332166
  H      -3.070978      4.643221     -2.179311
  H      -2.103726      3.873246     -0.001830
  H      -2.789652      6.020958      5.260779
  H      -3.952531      5.296657      6.376394
  H      -5.259673      6.160068      4.699023
  H      -5.243253      4.438576      4.311956
  H      -3.152997      5.071978      2.783651
  H      -3.862146      6.711082      2.816664
  H      -5.978804      7.441756      3.089476
  H      -8.243244      8.286830      2.629997
  H     -10.193005      5.510044     -0.468155
  H      -9.475782      3.354271     -1.572922
  H      -7.243486      2.399171     -1.008741
  H      -7.016123      1.222369      6.868956
  H      -6.701340      1.915384      5.257355
  H      -6.439862      4.205837      6.586038
  H      -7.374310      3.387280      7.852179
  H      -8.967828      4.544465      6.451518
  H      -9.121012      2.805678      6.063531
  H     -10.208105      5.486256      4.097632
  H     -11.954541      4.926457      2.401549
  H     -10.609666      1.080668      0.272119
  H      -8.589755     -0.423857      0.503800
  H      -6.910719      0.072972      2.294774
  N      -4.522334      2.221744      3.657144
  N      -4.979973      2.230528      2.511253
  H      -4.668899      3.010301      1.908166
101
Coordinates from ORCA-job orca E -6484.293478156843
  N      -2.795262      0.275265      4.930826
  Mo     -3.641758      2.052255      5.233277
  N      -5.080519      1.987435      6.557143
  C      -4.695215      1.930767      7.969369
  C      -3.321078      1.283123      8.112622
  N      -2.377737      1.850819      7.117316
  C      -1.281431      0.914842      6.775015
  C      -1.777721     -0.203244      5.863479
  C      -1.861982      3.188320      7.485376
  C      -1.568843      3.940784      6.189163
  N      -2.729864      3.896301      5.300908
  H      -0.899698     -0.605596      5.321243
  H      -2.172890     -1.051977      6.461553
  H      -0.510865      1.501097      6.256401
  H      -0.823613      0.497484      7.691077
  H      -1.291764      4.982662      6.428341
  H      -0.686711      3.497327      5.693248
  H      -2.649566      3.714086      8.043301
  H      -0.975746      3.095777      8.141540
  H      -5.424263      1.332088      8.548165
  H      -4.695752      2.941150      8.424313
  H      -3.412572      0.210144      7.892389
  H      -2.925925      1.391993      9.139442
  C      -3.334713     -0.817390      4.120335
  C      -2.493913     -1.145246      2.875291
  C      -2.716202     -0.139941      1.761502
  O      -4.042771     -0.429257      1.232019
  C      -4.480552      0.077365      0.068808
  C      -5.472292     -0.659445     -0.573899
  C      -6.015980     -0.210938     -1.785629
  N      -5.662290      0.908564     -2.405808
  C      -4.710344      1.662931     -1.785015
  C      -4.338355      2.894134     -2.381420
  C      -3.417006      3.702597     -1.758888
  C      -2.858808      3.271577     -0.533845
  N      -3.161934      2.128418      0.057400
  C      -4.075366      1.314794     -0.542069
  C      -3.479831      5.151601      5.360762
  C      -4.602893      5.319104      4.341312
  C      -4.065938      5.612126      2.945228
  O      -4.943657      5.168763      1.883341
  C      -6.158136      5.733053      1.754321
  C      -6.590070      6.888368      2.390409
  C      -7.886290      7.377511      2.124656
  N      -8.752369      6.837733      1.281924
  C      -8.343544      5.698021      0.646268
  C      -9.220613      5.067588     -0.269313
  C      -8.828754      3.898394     -0.881115
  C      -7.560925      3.355003     -0.573124
  N      -6.700200      3.915746      0.262269
  C      -7.070552      5.078658      0.858807
  C      -6.515309      2.061603      6.326018
  C      -7.140902      3.404380      6.752341
  C      -8.434185      3.688851      6.013196
  O      -8.105011      3.942979      4.624734
  C      -9.099751      3.684185      3.726938
  C     -10.160973      4.547060      3.537806
  C     -11.134711      4.237932      2.561878
  N     -11.098015      3.177430      1.769362
  C     -10.030245      2.338515      1.912902
  C      -9.886174      1.235305      1.036284
  C      -8.781717      0.419826      1.156795
  C      -7.834613      0.687621      2.174888
  N      -7.945031      1.685505      3.036005
  C      -9.004232      2.524652      2.896315
  H      -3.423978     -1.720229      4.755596
  H      -4.351020     -0.558217      3.792685
  H      -1.423350     -1.169812      3.133867
  H      -2.756523     -2.148112      2.499944
  H      -1.984731     -0.245222      0.946907
  H      -2.690432      0.891111      2.129842
  H      -5.806966     -1.595667     -0.125526
  H      -6.784385     -0.815807     -2.278894
  H      -4.817792      3.169093     -3.322338
  H      -3.120708      4.660903     -2.187992
  H      -2.128080      3.902864     -0.017345
  H      -2.773518      6.001154      5.243385
  H      -3.932160      5.284764      6.368175
  H      -5.247497      6.138423      4.689430
  H      -5.228898      4.416167      4.306197
  H      -3.145238      5.039140      2.773374
  H      -3.842034      6.683489      2.807240
  H      -5.952668      7.429504      3.086842
  H      -8.215676      8.285723      2.641251
  H     -10.196172      5.521330     -0.448944
  H      -9.488524      3.372109     -1.572426
  H      -7.251239      2.413201     -1.033041
  H      -7.026596      1.241186      6.870850
  H      -6.699836      1.915062      5.253351
  H      -6.425831      4.216622      6.543926
  H      -7.351409      3.425431      7.834005
  H      -8.953046      4.569058      6.430368
  H      -9.119826      2.825679      6.068465
  H     -10.223308      5.474535      4.108203
  H     -11.979681      4.919623      2.421137
  H     -10.642712      1.085337      0.263966
  H      -8.619449     -0.417919      0.476940
  H      -6.931164      0.072488      2.261682
  N      -4.521675      2.199440      3.662214
  N      -4.989912      2.197335      2.520801
  H      -4.731206      3.001843      1.924259
101
Coordinates from ORCA-job orca E -6484.295246920301
  N      -2.779733      0.268694      4.939317
  Mo     -3.636654      2.041886      5.234515
  N      -5.080769      1.985793      6.553341
  C      -4.703592      1.937172      7.968394
  C      -3.330896      1.289229      8.123590
  N      -2.382675      1.848057      7.128103
  C      -1.286386      0.908022      6.797159
  C      -1.784691     -0.214100      5.893723
  C      -1.867559      3.187438      7.489213
  C      -1.562204      3.927988      6.189651
  N      -2.718857      3.882686      5.295056
  H      -0.905943     -0.638684      5.369796
  H      -2.202987     -1.047909      6.497056
  H      -0.513671      1.488473      6.275328
  H      -0.832134      0.496448      7.717614
  H      -1.281033      4.970338      6.422036
  H      -0.680182      3.476978      5.700713
  H      -2.660354      3.719632      8.033672
  H      -0.988920      3.099882      8.156243
  H      -5.436722      1.342458      8.546118
  H      -4.706126      2.950000      8.417808
  H      -3.422962      0.214618      7.911775
  H      -2.940451      1.405907      9.151299
  C      -3.296266     -0.821756      4.110711
  C      -2.438532     -1.120985      2.870256
  C      -2.684265     -0.119973      1.757800
  O      -3.999323     -0.447189      1.223257
  C      -4.459776      0.063325      0.071344
  C      -5.453579     -0.679887     -0.561332
  C      -6.016432     -0.231940     -1.764113
  N      -5.678751      0.891770     -2.386064
  C      -4.725297      1.651872     -1.774671
  C      -4.367334      2.885971     -2.373702
  C      -3.447088      3.701250     -1.758388
  C      -2.876541      3.274765     -0.537517
  N      -3.164438      2.128249      0.054488
  C      -4.074731      1.307098     -0.538981
  C      -3.468418      5.138532      5.354908
  C      -4.593056      5.303634      4.337249
  C      -4.057003      5.593575      2.940424
  O      -4.941615      5.157681      1.881236
  C      -6.151812      5.732947      1.756652
  C      -6.573006      6.889566      2.397157
  C      -7.868541      7.385662      2.140699
  N      -8.743204      6.851049      1.303614
  C      -8.343157      5.712344      0.660704
  C      -9.227932      5.089384     -0.252476
  C      -8.841801      3.924316     -0.875764
  C      -7.571931      3.377587     -0.582229
  N      -6.705010      3.930537      0.252181
  C      -7.070773      5.088238      0.861439
  C      -6.514542      2.068574      6.316284
  C      -7.131468      3.418957      6.730851
  C      -8.429971      3.699485      5.998984
  O      -8.108244      3.931565      4.605118
  C      -9.110897      3.677214      3.715522
  C     -10.177265      4.537020      3.540517
  C     -11.154949      4.231946      2.567334
  N     -11.119339      3.177495      1.766493
  C     -10.049398      2.339699      1.899392
  C      -9.909371      1.239590      1.018157
  C      -8.804327      0.423705      1.130601
  C      -7.852842      0.687535      2.145629
  N      -7.958633      1.683117      3.009957
  C      -9.018227      2.522834      2.877745
  H      -3.378222     -1.734015      4.733058
  H      -4.313631     -0.574252      3.777280
  H      -1.369346     -1.112153      3.135847
  H      -2.667481     -2.130622      2.491277
  H      -1.946307     -0.200283      0.946306
  H      -2.691202      0.910668      2.128684
  H      -5.774300     -1.620478     -0.111964
  H      -6.786899     -0.840973     -2.248976
  H      -4.856729      3.158003     -3.310325
  H      -3.161180      4.661641     -2.189868
  H      -2.148399      3.912515     -0.025352
  H      -2.761478      5.986794      5.231955
  H      -3.916370      5.275652      6.363621
  H      -5.238663      6.122526      4.684224
  H      -5.217875      4.399914      4.303108
  H      -3.141581      5.013134      2.765706
  H      -3.824949      6.663182      2.802492
  H      -5.928754      7.425708      3.091077
  H      -8.190259      8.294315      2.661255
  H     -10.203724      5.546273     -0.422476
  H      -9.506515      3.404982     -1.567501
  H      -7.264609      2.441355     -1.054998
  H      -7.034493      1.256112      6.864781
  H      -6.695771      1.916270      5.243909
  H      -6.415352      4.225099      6.503941
  H      -7.330670      3.455579      7.814150
  H      -8.941424      4.587407      6.408736
  H      -9.118884      2.840143      6.070108
  H     -10.240096      5.459968      4.118126
  H     -12.002834      4.911895      2.436007
  H     -10.670703      1.090839      0.250360
  H      -8.645529     -0.412136      0.447562
  H      -6.950233      0.070904      2.228537
  N      -4.520321      2.182833      3.664042
  N      -4.999150      2.173441      2.527017
  H      -4.794664      3.000597      1.939192
101
Coordinates from ORCA-job orca E -6484.296823895695
  N      -2.765347      0.259455      4.949292
  Mo     -3.631403      2.029196      5.237158
  N      -5.080210      1.982122      6.551441
  C      -4.709736      1.943304      7.968885
  C      -3.338076      1.296133      8.135600
  N      -2.385596      1.845453      7.138948
  C      -1.290076      0.900712      6.818535
  C      -1.791164     -0.226209      5.923819
  C      -1.870287      3.186834      7.491742
  C      -1.556346      3.915027      6.187818
  N      -2.711132      3.868274      5.290193
  H      -0.912314     -0.671735      5.417710
  H      -2.230995     -1.045025      6.532369
  H      -0.516030      1.474935      6.291796
  H      -0.837832      0.495976      7.743037
  H      -1.269986      4.957827      6.411920
  H      -0.675903      3.455640      5.704071
  H      -2.666420      3.725246      8.025317
  H      -0.997195      3.104453      8.166759
  H      -5.446096      1.352786      8.546830
  H      -4.714232      2.959104      8.411512
  H      -3.430143      0.219667      7.933553
  H      -2.951881      1.422097      9.163789
  C      -3.261373     -0.827915      4.104237
  C      -2.388942     -1.100492      2.867913
  C      -2.650579     -0.100244      1.757893
  O      -3.955905     -0.453254      1.216502
  C      -4.437684      0.064596      0.076772
  C      -5.437806     -0.681064     -0.543449
  C      -6.022107     -0.231479     -1.734979
  N      -5.699275      0.895666     -2.358767
  C      -4.739732      1.657966     -1.759850
  C      -4.394834      2.894218     -2.362211
  C      -3.470978      3.713363     -1.757806
  C      -2.883866      3.289008     -0.544057
  N      -3.157505      2.139712      0.049364
  C      -4.069783      1.313707     -0.534174
  C      -3.459466      5.125078      5.347757
  C      -4.585394      5.285594      4.331463
  C      -4.049830      5.567343      2.933255
  O      -4.941186      5.136351      1.877831
  C      -6.146320      5.722697      1.753915
  C      -6.558184      6.882558      2.394316
  C      -7.852377      7.384875      2.142240
  N      -8.733425      6.853258      1.309815
  C      -8.340559      5.713620      0.664023
  C      -9.230114      5.095632     -0.247889
  C      -8.847906      3.932783     -0.877924
  C      -7.577433      3.382821     -0.592411
  N      -6.707065      3.930329      0.242187
  C      -7.069709      5.085061      0.858754
  C      -6.513134      2.072659      6.309367
  C      -7.121547      3.430300      6.712654
  C      -8.424795      3.708227      5.987829
  O      -8.110666      3.918800      4.588927
  C      -9.121882      3.672143      3.707689
  C     -10.192426      4.530279      3.549445
  C     -11.175986      4.231708      2.580136
  N     -11.144410      3.184168      1.769857
  C     -10.073060      2.346173      1.889289
  C      -9.940498      1.249446      1.002597
  C      -8.835533      0.432058      1.103750
  C      -7.876677      0.690602      2.113274
  N      -7.974839      1.683178      2.981869
  C      -9.034537      2.524255      2.860640
  H      -3.337335     -1.749029      4.714058
  H      -4.279154     -0.589652      3.765466
  H      -1.322222     -1.065048      3.141393
  H      -2.589563     -2.114168      2.483700
  H      -1.907030     -0.161054      0.949851
  H      -2.681133      0.928808      2.131969
  H      -5.746809     -1.624901     -0.092646
  H      -6.798266     -0.841869     -2.208974
  H      -4.897348      3.165269     -3.292184
  H      -3.194919      4.675391     -2.192137
  H      -2.154246      3.930803     -0.039055
  H      -2.751831      5.971809      5.218126
  H      -3.903724      5.267655      6.357264
  H      -5.231595      6.105535      4.674620
  H      -5.209427      4.381273      4.301281
  H      -3.140396      4.977862      2.757980
  H      -3.808606      6.634478      2.791922
  H      -5.908664      7.415672      3.085655
  H      -8.167699      8.295555      2.663192
  H     -10.205368      5.555515     -0.412952
  H      -9.515219      3.418852     -1.571161
  H      -7.271362      2.450283     -1.073397
  H      -7.041036      1.267884      6.861604
  H      -6.691622      1.914446      5.237446
  H      -6.404307      4.230416      6.468869
  H      -7.310110      3.481307      7.797227
  H      -8.928157      4.604014      6.390276
  H      -9.117556      2.853434      6.074272
  H     -10.254085      5.447684      4.135972
  H     -12.026045      4.911156      2.460519
  H     -10.708825      1.102782      0.241386
  H      -8.683062     -0.401781      0.416795
  H      -6.975409      0.071524      2.189567
  N      -4.517794      2.161732      3.668032
  N      -5.007686      2.141687      2.536064
  H      -4.857842      2.987824      1.957748
101
Coordinates from ORCA-job orca E -6484.298229314807
  N      -2.752301      0.252237      4.957266
  Mo     -3.626065      2.019137      5.237193
  N      -5.080621      1.980400      6.545631
  C      -4.717431      1.950382      7.965430
  C      -3.347091      1.303510      8.144008
  N      -2.389254      1.843712      7.147624
  C      -1.295025      0.894154      6.837620
  C      -1.799005     -0.236513      5.950899
  C      -1.872997      3.186309      7.493502
  C      -1.551320      3.903708      6.185897
  N      -2.704874      3.856712      5.286229
  H      -0.920372     -0.702089      5.462867
  H      -2.260287     -1.040346      6.563454
  H      -0.519315      1.461951      6.306376
  H      -0.845046      0.495688      7.765928
  H      -1.259045      4.946428      6.402619
  H      -0.673038      3.435905      5.706550
  H      -2.671399      3.730374      8.018007
  H      -1.004685      3.107764      8.175145
  H      -5.457349      1.363959      8.542996
  H      -4.723623      2.968860      8.401778
  H      -3.439189      0.225434      7.950990
  H      -2.966030      1.438006      9.172989
  C      -3.227371     -0.832403      4.096935
  C      -2.338370     -1.080079      2.867251
  C      -2.615595     -0.084107      1.757441
  O      -3.908714     -0.467286      1.208687
  C      -4.410801      0.054570      0.080137
  C      -5.414058     -0.695714     -0.529730
  C      -6.016005     -0.246643     -1.712257
  N      -5.706598      0.883241     -2.338173
  C      -4.743733      1.649337     -1.749640
  C      -4.410158      2.887056     -2.355325
  C      -3.484975      3.710944     -1.759429
  C      -2.885047      3.289935     -0.550914
  N      -3.146217      2.138613      0.043858
  C      -4.058828      1.307706     -0.531612
  C      -3.450096      5.115212      5.340697
  C      -4.577194      5.272232      4.325653
  C      -4.043704      5.544680      2.924952
  O      -4.944903      5.120324      1.875484
  C      -6.144128      5.720012      1.756891
  C      -6.542738      6.882574      2.400482
  C      -7.835508      7.393465      2.157999
  N      -8.726547      6.867725      1.332604
  C      -8.345073      5.727725      0.680772
  C      -9.243410      5.117763     -0.227812
  C      -8.869118      3.957713     -0.867653
  C      -7.598204      3.401906     -0.595373
  N      -6.720742      3.940877      0.237649
  C      -7.076218      5.092362      0.864188
  C      -6.512333      2.078531      6.297399
  C      -7.114033      3.441864      6.691693
  C      -8.421881      3.716819      5.973754
  O      -8.115505      3.906606      4.570315
  C      -9.134942      3.666189      3.697732
  C     -10.211036      4.520525      3.555693
  C     -11.199635      4.226165      2.590301
  N     -11.170370      3.185048      1.771462
  C     -10.096390      2.348816      1.878143
  C      -9.969241      1.255082      0.986888
  C      -8.862856      0.438304      1.077450
  C      -7.897027      0.694385      2.080861
  N      -7.989492      1.684512      2.952807
  C      -9.050932      2.524634      2.842098
  H      -3.297359     -1.761119      4.695647
  H      -4.245013     -0.604219      3.751011
  H      -1.275481     -1.016605      3.150391
  H      -2.508584     -2.097906      2.479525
  H      -1.865829     -0.126830      0.953972
  H      -2.671834      0.943655      2.132066
  H      -5.711791     -1.642467     -0.077526
  H      -6.795380     -0.859773     -2.177290
  H      -4.922592      3.156006     -3.280463
  H      -3.217586      4.674260     -2.196227
  H      -2.155333      3.936026     -0.051619
  H      -2.740870      5.959620      5.205044
  H      -3.891150      5.263563      6.350704
  H      -5.222565      6.094194      4.665227
  H      -5.201602      4.368054      4.300673
  H      -3.141818      4.944401      2.747408
  H      -3.791719      6.608784      2.779677
  H      -5.884898      7.410385      3.087945
  H      -8.141267      8.305593      2.682018
  H     -10.217943      5.582281     -0.383765
  H      -9.542344      3.451252     -1.560580
  H      -7.296826      2.473509     -1.087251
  H      -7.047868      1.279952      6.851242
  H      -6.687113      1.916313      5.225520
  H      -6.396628      4.237330      6.433868
  H      -7.292905      3.504799      7.777194
  H      -8.918166      4.619637      6.368997
  H      -9.117516      2.866049      6.074893
  H     -10.273466      5.432339      4.150752
  H     -12.052752      4.903602      2.481729
  H     -10.743781      1.108844      0.231967
  H      -8.715202     -0.393680      0.387199
  H      -6.995523      0.075181      2.150462
  N      -4.515280      2.145085      3.668124
  N      -5.014005      2.118250      2.539883
  H      -4.918100      2.980937      1.974111
101
Coordinates from ORCA-job orca E -6484.299476527483
  N      -2.736924      0.242792      4.965417
  Mo     -3.620361      2.005801      5.238950
  N      -5.079467      1.973852      6.542924
  C      -4.721338      1.954291      7.964476
  C      -3.351268      1.309771      8.153606
  N      -2.389725      1.841854      7.156282
  C      -1.296025      0.888739      6.855028
  C      -1.801337     -0.246432      5.975724
  C      -1.873019      3.186056      7.494596
  C      -1.548198      3.893280      6.182672
  N      -2.702946      3.844386      5.284374
  H      -0.922546     -0.728566      5.504350
  H      -2.280730     -1.036877      6.591762
  H      -0.520117      1.451418      6.318521
  H      -0.846478      0.497148      7.786486
  H      -1.250737      4.936233      6.391240
  H      -0.672757      3.417868      5.705736
  H      -2.672458      3.734631      8.012938
  H      -1.007081      3.111778      8.179801
  H      -5.463270      1.371611      8.543315
  H      -4.729530      2.975861      8.393548
  H      -3.441976      0.229876      7.970510
  H      -2.974441      1.454075      9.182829
  C      -3.191663     -0.839668      4.091524
  C      -2.288780     -1.060849      2.866463
  C      -2.581083     -0.066769      1.758509
  O      -3.863817     -0.473976      1.203801
  C      -4.388035      0.056058      0.089652
  C      -5.400828     -0.693240     -0.505967
  C      -6.026636     -0.238712     -1.673707
  N      -5.731543      0.895309     -2.299353
  C      -4.758282      1.659418     -1.725530
  C      -4.435456      2.899094     -2.333090
  C      -3.499269      3.720911     -1.751744
  C      -2.877821      3.296269     -0.555371
  N      -3.127714      2.142638      0.039720
  C      -4.050100      1.313199     -0.521982
  C      -3.445626      5.104126      5.335363
  C      -4.574513      5.255452      4.322337
  C      -4.042514      5.516131      2.919270
  O      -4.951033      5.096848      1.874208
  C      -6.143558      5.709086      1.753108
  C      -6.532395      6.877131      2.392556
  C      -7.822447      7.395495      2.150278
  N      -8.718776      6.872363      1.328800
  C      -8.344821      5.729360      0.677671
  C      -9.246482      5.123991     -0.230758
  C      -8.876435      3.964180     -0.873716
  C      -7.607046      3.403261     -0.604250
  N      -6.727802      3.936576      0.230678
  C      -7.079256      5.087709      0.860092
  C      -6.510243      2.078350      6.289654
  C      -7.105186      3.447250      6.675060
  C      -8.416501      3.722117      5.963002
  O      -8.117265      3.891913      4.555382
  C      -9.144711      3.662222      3.690171
  C     -10.223902      4.515761      3.566264
  C     -11.218833      4.230243      2.604673
  N     -11.195623      3.197016      1.775572
  C     -10.121194      2.359595      1.867162
  C     -10.003966      1.269517      0.969982
  C      -8.898740      0.449933      1.047561
  C      -7.923343      0.700036      2.043287
  N      -8.005869      1.686992      2.919742
  C      -9.067227      2.528827      2.822854
  H      -3.253181     -1.775729      4.679438
  H      -4.209872     -0.622449      3.740362
  H      -1.230016     -0.971233      3.158056
  H      -2.430248     -2.081086      2.473502
  H      -1.827092     -0.092457      0.958255
  H      -2.658964      0.958713      2.135583
  H      -5.688328     -1.642970     -0.053352
  H      -6.814548     -0.850308     -2.126331
  H      -4.964207      3.171223     -3.248112
  H      -3.239126      4.685309     -2.190648
  H      -2.139806      3.941122     -0.066717
  H      -2.735810      5.946905      5.192799
  H      -3.883269      5.258133      6.345989
  H      -5.219366      6.079701      4.656969
  H      -5.198589      4.351000      4.304733
  H      -3.148125      4.904699      2.742095
  H      -3.779573      6.576857      2.768587
  H      -5.869870      7.402910      3.077049
  H      -8.121473      8.311359      2.671753
  H     -10.219226      5.592735     -0.385515
  H      -9.551326      3.462753     -1.568733
  H      -7.307539      2.476658     -1.100810
  H      -7.052726      1.285811      6.845463
  H      -6.682003      1.911745      5.218016
  H      -6.386782      4.237871      6.405389
  H      -7.275997      3.520694      7.761203
  H      -8.903927      4.632708      6.351213
  H      -9.116798      2.876959      6.077961
  H     -10.284780      5.420646      4.172019
  H     -12.073097      4.908267      2.509097
  H     -10.786438      1.126581      0.222599
  H      -8.759890     -0.380331      0.353386
  H      -7.023614      0.077627      2.104332
  N      -4.512262      2.122533      3.671632
  N      -5.020634      2.084652      2.547985
  H      -4.975617      2.959982      1.994626
101
Coordinates from ORCA-job orca E -6484.300579279748
  N      -2.730257      0.232774      4.973100
  Mo     -3.617976      1.994688      5.238427
  N      -5.083327      1.974492      6.536507
  C      -4.731353      1.965031      7.959706
  C      -3.364144      1.318123      8.160764
  N      -2.396088      1.838301      7.163754
  C      -1.306016      0.877860      6.873042
  C      -1.815238     -0.259816      6.000550
  C      -1.874593      3.182463      7.494593
  C      -1.543788      3.878609      6.178090
  N      -2.699271      3.831067      5.280299
  H      -0.937640     -0.760416      5.546614
  H      -2.315230     -1.035612      6.618775
  H      -0.527090      1.432425      6.332443
  H      -0.859580      0.491694      7.808213
  H      -1.238036      4.920709      6.378533
  H      -0.672355      3.392735      5.704560
  H      -2.673198      3.738096      8.006704
  H      -1.011252      3.109503      8.183161
  H      -5.477500      1.388970      8.539750
  H      -4.738321      2.989885      8.380791
  H      -3.456959      0.236774      7.987853
  H      -2.992212      1.471206      9.190457
  C      -3.163776     -0.845731      4.083833
  C      -2.241379     -1.043098      2.869145
  C      -2.539132     -0.049856      1.761854
  O      -3.808548     -0.478534      1.193820
  C      -4.349703      0.056739      0.090429
  C      -5.366505     -0.695734     -0.494783
  C      -6.009670     -0.241030     -1.652486
  N      -5.727524      0.895527     -2.279377
  C      -4.749183      1.661570     -1.717298
  C      -4.437220      2.902226     -2.328259
  C      -3.496230      3.726481     -1.758521
  C      -2.858730      3.303132     -0.570250
  N      -3.097713      2.148373      0.026958
  C      -4.024475      1.316371     -0.523247
  C      -3.434840      5.094698      5.323225
  C      -4.565436      5.240906      4.311245
  C      -4.037690      5.486518      2.903877
  O      -4.958712      5.071916      1.867985
  C      -6.144311      5.698491      1.753078
  C      -6.516563      6.870639      2.394648
  C      -7.804077      7.400162      2.163138
  N      -8.712569      6.884150      1.350828
  C      -8.353781      5.739114      0.694849
  C      -9.267430      5.142544     -0.207172
  C      -8.909979      3.983170     -0.857802
  C      -7.641774      3.413138     -0.602143
  N      -6.752307      3.936949      0.228242
  C      -7.091703      5.087712      0.865011
  C      -6.512702      2.088059      6.278340
  C      -7.099396      3.462929      6.655504
  C      -8.414737      3.736333      5.950586
  O      -8.124045      3.881719      4.538760
  C      -9.160480      3.657699      3.684070
  C     -10.245785      4.505990      3.576962
  C     -11.247211      4.222118      2.621670
  N     -11.227337      3.193921      1.786047
  C     -10.149377      2.359756      1.864141
  C     -10.038367      1.270924      0.964591
  C      -8.930764      0.453457      1.030858
  C      -7.945980      0.705093      2.016812
  N      -8.021937      1.691439      2.894419
  C      -9.086722      2.529935      2.809488
  H      -3.222320     -1.788401      4.661058
  H      -4.179765     -0.636389      3.721731
  H      -1.188997     -0.931380      3.175644
  H      -2.354929     -2.064277      2.469691
  H      -1.776488     -0.060282      0.969648
  H      -2.638294      0.972830      2.141114
  H      -5.644288     -1.647692     -0.040915
  H      -6.801537     -0.854381     -2.095608
  H      -4.978092      3.173505     -3.236382
  H      -3.244422      4.691768     -2.200222
  H      -2.116904      3.950000     -0.090191
  H      -2.721724      5.933140      5.172445
  H      -3.869437      5.258509      6.333621
  H      -5.207699      6.069506      4.639921
  H      -5.191092      4.337280      4.303669
  H      -3.152503      4.862264      2.725361
  H      -3.762546      6.542959      2.745213
  H      -5.843654      7.390565      3.073437
  H      -8.090611      8.318581      2.687023
  H     -10.238430      5.617999     -0.351869
  H      -9.593766      3.489297     -1.549396
  H      -7.351214      2.487985     -1.106919
  H      -7.062604      1.302067      6.836112
  H      -6.682392      1.917571      5.207050
  H      -6.379971      4.248180      6.373527
  H      -7.261479      3.547699      7.742096
  H      -8.893269      4.655311      6.329698
  H      -9.119070      2.897079      6.082354
  H     -10.307763      5.405491      4.190474
  H     -12.105037      4.897137      2.537769
  H     -10.828236      1.126128      0.225468
  H      -8.797820     -0.376589      0.335301
  H      -7.044809      0.084336      2.069749
  N      -4.509523      2.105061      3.670056
  N      -5.023063      2.058755      2.548763
  H      -5.022208      2.943122      2.007638
101
Coordinates from ORCA-job orca E -6484.301580237859
  N      -2.717785      0.222805      4.979610
  Mo     -3.614972      1.981001      5.239459
  N      -5.083799      1.968865      6.534714
  C      -4.734610      1.970799      7.958833
  C      -3.368337      1.324612      8.169055
  N      -2.397031      1.835615      7.170304
  C      -1.308356      0.871154      6.887600
  C      -1.818760     -0.269857      6.021047
  C      -1.872794      3.180521      7.493282
  C      -1.541715      3.866997      6.172105
  N      -2.700284      3.818175      5.278433
  H      -0.941657     -0.784023      5.581662
  H      -2.334243     -1.033909      6.641189
  H      -0.528832      1.420550      6.342435
  H      -0.862523      0.490774      7.825408
  H      -1.230137      4.908948      6.364118
  H      -0.674369      3.373105      5.699511
  H      -2.670045      3.741166      8.002069
  H      -1.009529      3.109954      8.182169
  H      -5.482613      1.400283      8.542037
  H      -4.741049      2.999125      8.371384
  H      -3.461148      0.241647      8.006567
  H      -2.999431      1.487371      9.198384
  C      -3.128556     -0.853384      4.076558
  C      -2.189778     -1.024659      2.870009
  C      -2.499173     -0.034543      1.763197
  O      -3.756526     -0.486439      1.188180
  C      -4.321332      0.058114      0.102037
  C      -5.350420     -0.690559     -0.466784
  C      -6.020008     -0.226825     -1.605536
  N      -5.752294      0.914907     -2.229787
  C      -4.759848      1.675296     -1.685188
  C      -4.457241      2.918092     -2.296436
  C      -3.498565      3.734912     -1.745620
  C      -2.834644      3.302497     -0.575181
  N      -3.064700      2.145665      0.021414
  C      -4.008011      1.320734     -0.510719
  C      -3.430550      5.084518      5.315628
  C      -4.564946      5.224573      4.307649
  C      -4.041380      5.455403      2.896586
  O      -4.971767      5.046809      1.866781
  C      -6.149371      5.687348      1.748803
  C      -6.509510      6.866056      2.385138
  C      -7.792860      7.405788      2.153214
  N      -8.707314      6.894167      1.344761
  C      -8.358424      5.744987      0.690508
  C      -9.276733      5.154858     -0.211106
  C      -8.926623      3.994286     -0.863786
  C      -7.661790      3.416069     -0.609795
  N      -6.769649      3.931950      0.222675
  C      -7.101475      5.084158      0.860781
  C      -6.512178      2.088560      6.272449
  C      -7.091622      3.469232      6.639723
  C      -8.409604      3.744374      5.939817
  O      -8.126466      3.864196      4.523833
  C      -9.170169      3.650608      3.676150
  C     -10.258517      4.497471      3.587614
  C     -11.266479      4.222477      2.636694
  N     -11.253181      3.202599      1.790938
  C     -10.174783      2.367744      1.853138
  C     -10.074439      1.282992      0.947425
  C      -8.968261      0.462736      0.999536
  C      -7.972625      0.708822      1.975983
  N      -8.037694      1.692080      2.857971
  C      -9.102910      2.531549      2.789064
  H      -3.178855     -1.802376      4.643766
  H      -4.143845     -0.655472      3.706205
  H      -1.143839     -0.887776      3.188310
  H      -2.273747     -2.046589      2.465175
  H      -1.731572     -0.028695      0.975839
  H      -2.620135      0.985158      2.144576
  H      -5.618735     -1.645472     -0.013452
  H      -6.822716     -0.836229     -2.034481
  H      -5.017985      3.196514     -3.190254
  H      -3.252159      4.700908     -2.188895
  H      -2.078283      3.943284     -0.109828
  H      -2.715937      5.919829      5.155295
  H      -3.859832      5.256462      6.326940
  H      -5.204984      6.056841      4.630974
  H      -5.190948      4.321397      4.311117
  H      -3.165557      4.818106      2.717931
  H      -3.753586      6.507372      2.730802
  H      -5.830942      7.383031      3.060480
  H      -8.070621      8.328779      2.673861
  H     -10.244660      5.636812     -0.355113
  H      -9.613463      3.506201     -1.556540
  H      -7.375450      2.491106     -1.117735
  H      -7.068598      1.309173      6.833076
  H      -6.679768      1.912640      5.201788
  H      -6.370429      4.248791      6.346930
  H      -7.246980      3.564544      7.726439
  H      -8.876015      4.673593      6.308715
  H      -9.121118      2.914050      6.088449
  H     -10.319446      5.389372      4.212262
  H     -12.125196      4.897959      2.566306
  H     -10.872393      1.142266      0.216209
  H      -8.845270     -0.365619      0.300082
  H      -7.072689      0.085504      2.018409
  N      -4.510136      2.082618      3.673350
  N      -5.032127      2.024991      2.555950
  H      -5.068727      2.915235      2.025262
101
Coordinates from ORCA-job orca E -6484.302489297916
  N      -2.713321      0.211169      4.985505
  Mo     -3.614553      1.968736      5.238541
  N      -5.088834      1.969456      6.529465
  C      -4.743643      1.981880      7.954344
  C      -3.381100      1.331748      8.174978
  N      -2.403882      1.830646      7.176270
  C      -1.319029      0.858942      6.903423
  C      -1.831494     -0.283529      6.040699
  C      -1.873631      3.175121      7.491811
  C      -1.538670      3.851416      6.166039
  N      -2.698733      3.803613      5.274155
  H      -0.955409     -0.810737      5.615156
  H      -2.362439     -1.036752      6.661084
  H      -0.535793      1.401119      6.356243
  H      -0.877196      0.482554      7.844698
  H      -1.219559      4.892447      6.350313
  H      -0.675403      3.347927      5.696179
  H      -2.668547      3.742704      7.996556
  H      -1.011161      3.104516      8.181597
  H      -5.495837      1.419691      8.540255
  H      -4.746422      3.013741      8.357939
  H      -3.477185      0.247662      8.022146
  H      -3.016016      1.502423      9.204387
  C      -3.102143     -0.861215      4.068386
  C      -2.144437     -1.009842      2.873652
  C      -2.455452     -0.019327      1.767108
  O      -3.699987     -0.487031      1.177951
  C      -4.282102      0.066305      0.105511
  C      -5.318780     -0.681177     -0.451446
  C      -6.008199     -0.212213     -1.575722
  N      -5.753036      0.933640     -2.197679
  C      -4.751343      1.691307     -1.666797
  C      -4.457705      2.935472     -2.279340
  C      -3.486274      3.748056     -1.745178
  C      -2.800967      3.310343     -0.589034
  N      -3.023128      2.152455      0.008788
  C      -3.978541      1.331257     -0.507467
  C      -3.420626      5.074535      5.300187
  C      -4.558101      5.208409      4.294500
  C      -4.040186      5.423420      2.879178
  O      -4.982330      5.018554      1.858535
  C      -6.153034      5.671958      1.743411
  C      -6.497385      6.855872      2.378772
  C      -7.777074      7.407224      2.154123
  N      -8.702038      6.902127      1.353678
  C      -8.367769      5.749421      0.697865
  C      -9.296902      5.167515     -0.197916
  C      -8.959940      4.005670     -0.855257
  C      -7.697890      3.417221     -0.610958
  N      -6.797053      3.923679      0.218029
  C      -7.115579      5.077715      0.860033
  C      -6.516108      2.098311      6.264693
  C      -7.086338      3.485152      6.624065
  C      -8.407559      3.761463      5.930823
  O      -8.133850      3.851303      4.511151
  C      -9.185994      3.644331      3.673840
  C     -10.279022      4.486988      3.601436
  C     -11.293472      4.214756      2.656593
  N     -11.284649      3.199999      1.804500
  C     -10.203699      2.367503      1.853576
  C     -10.110319      1.284194      0.945311
  C      -9.002911      0.464964      0.986316
  C      -7.997974      0.711585      1.953048
  N      -8.055684      1.694091      2.836199
  C      -9.123396      2.530970      2.779463
  H      -3.149881     -1.815957      4.625862
  H      -4.114354     -0.670341      3.686093
  H      -1.105943     -0.855177      3.207862
  H      -2.203519     -2.030789      2.462042
  H      -1.679421      0.000103      0.988508
  H      -2.594444      0.997218      2.151133
  H      -5.578925     -1.638465      0.001611
  H      -6.817694     -0.820097     -1.993940
  H      -5.034452      3.217869     -3.161641
  H      -3.245694      4.714369     -2.191064
  H      -2.033504      3.947383     -0.136885
  H      -2.702331      5.904513      5.129546
  H      -3.845916      5.258506      6.311081
  H      -5.195234      6.045170      4.611711
  H      -5.185284      4.305984      4.309667
  H      -3.173504      4.773984      2.700146
  H      -3.740967      6.470765      2.704499
  H      -5.809444      7.367966      3.048330
  H      -8.042626      8.333782      2.674820
  H     -10.261988      5.657215     -0.334806
  H      -9.655043      3.524519     -1.544545
  H      -7.420544      2.491906     -1.123629
  H      -7.078787      1.325807      6.828599
  H      -6.683796      1.917968      5.194861
  H      -6.363038      4.258415      6.320489
  H      -7.234251      3.591043      7.710836
  H      -8.861206      4.701594      6.287513
  H      -9.126004      2.941017      6.099286
  H     -10.340338      5.373419      4.233708
  H     -12.154625      4.888277      2.597666
  H     -10.915158      1.143133      0.221767
  H      -8.886637     -0.363222      0.285486
  H      -7.097201      0.089217      1.986917
  N      -4.507493      2.064013      3.671554
  N      -5.032724      1.994995      2.555705
  H      -5.104380      2.890643      2.037387
101
Coordinates from ORCA-job orca E -6484.303316036585
  N      -2.706654      0.201278      4.991062
  Mo     -3.614123      1.957134      5.237877
  N      -5.092314      1.969701      6.526139
  C      -4.749830      1.992622      7.951581
  C      -3.390575      1.338932      8.181136
  N      -2.408740      1.826992      7.181737
  C      -1.326735      0.849508      6.918295
  C      -1.840135     -0.294334      6.058566
  C      -1.873261      3.171136      7.489933
  C      -1.535690      3.837702      6.160148
  N      -2.697437      3.789939      5.270691
  H      -0.964822     -0.832102      5.645059
  H      -2.383922     -1.038492      6.678762
  H      -0.539922      1.385637      6.370158
  H      -0.889146      0.476578      7.862865
  H      -1.210603      4.878103      6.337115
  H      -0.676065      3.326043      5.692599
  H      -2.665854      3.745068      7.991096
  H      -1.011080      3.100690      8.179987
  H      -5.505724      1.438855      8.540774
  H      -4.748482      3.027926      8.346226
  H      -3.489823      0.253908      8.036980
  H      -3.028250      1.516741      9.210347
  C      -3.072268     -0.868104      4.060628
  C      -2.096744     -0.996302      2.877875
  C      -2.412419     -0.010454      1.768497
  O      -3.643260     -0.498731      1.168721
  C      -4.247915      0.062997      0.113412
  C      -5.295778     -0.681583     -0.426732
  C      -6.010068     -0.204964     -1.531750
  N      -5.769556      0.945948     -2.150490
  C      -4.755310      1.699092     -1.637707
  C      -4.472657      2.945822     -2.250037
  C      -3.484459      3.751588     -1.736646
  C      -2.771877      3.304867     -0.600662
  N      -2.984349      2.145032     -0.003084
  C      -3.955942      1.330446     -0.499231
  C      -3.410756      5.065525      5.286738
  C      -4.553476      5.194243      4.286617
  C      -4.043430      5.395290      2.866706
  O      -4.998154      4.997290      1.855393
  C      -6.161592      5.663880      1.743445
  C      -6.491166      6.851891      2.378939
  C      -7.766741      7.415126      2.160255
  N      -8.700358      6.918127      1.364792
  C      -8.379009      5.763426      0.705965
  C      -9.316244      5.192085     -0.188211
  C      -8.990343      4.031023     -0.852568
  C      -7.731876      3.431987     -0.615635
  N      -6.825403      3.926525      0.214353
  C      -7.132299      5.080433      0.862046
  C      -6.518457      2.106176      6.258185
  C      -7.080040      3.499391      6.607067
  C      -8.403693      3.778165      5.918759
  O      -8.139434      3.833291      4.495658
  C      -9.197779      3.632282      3.665986
  C     -10.296943      4.468655      3.610655
  C     -11.315914      4.200312      2.669692
  N     -11.308388      3.193964      1.807719
  C     -10.223624      2.365728      1.842407
  C     -10.133877      1.287849      0.927222
  C      -9.024333      0.470985      0.955817
  C      -8.012635      0.715437      1.915866
  N      -8.065710      1.693913      2.803639
  C      -9.136683      2.527278      2.760646
  H      -3.116351     -1.827675      4.609705
  H      -4.081470     -0.685417      3.666478
  H      -1.066072     -0.821760      3.226158
  H      -2.130228     -2.017234      2.463352
  H      -1.629169      0.021938      0.997802
  H      -2.571339      1.003592      2.151786
  H      -5.546629     -1.641334      0.026313
  H      -6.828965     -0.809829     -1.935796
  H      -5.070059      3.235097     -3.116195
  H      -3.250862      4.718881     -2.184071
  H      -1.989658      3.935728     -0.165435
  H      -2.689057      5.889758      5.103728
  H      -3.828976      5.261530      6.298292
  H      -5.187085      6.035057      4.599877
  H      -5.181497      4.292935      4.313826
  H      -3.186794      4.733463      2.684524
  H      -3.732344      6.437878      2.684601
  H      -5.795001      7.358051      3.044458
  H      -8.021117      8.344263      2.681937
  H     -10.277949      5.689907     -0.319572
  H      -9.691416      3.558674     -1.541913
  H      -7.461187      2.508169     -1.134961
  H      -7.087371      1.341259      6.826165
  H      -6.685410      1.919695      5.189396
  H      -6.354135      4.265681      6.292684
  H      -7.221638      3.616553      7.693508
  H      -8.841310      4.731455      6.259967
  H      -9.131758      2.971204      6.109510
  H     -10.361422      5.347415      4.253219
  H     -12.180535      4.870373      2.623188
  H     -10.943982      1.148450      0.209261
  H      -8.912081     -0.353945      0.250460
  H      -7.110802      0.094420      1.940963
  N      -4.508614      2.046187      3.671690
  N      -5.038315      1.967253      2.557439
  H      -5.142436      2.867037      2.051468
101
Coordinates from ORCA-job orca E -6484.304062891505
  N      -2.702479      0.191384      4.995440
  Mo     -3.614459      1.946294      5.236869
  N      -5.097237      1.970588      6.522085
  C      -4.757881      2.002040      7.947994
  C      -3.402773      1.343533      8.185829
  N      -2.415912      1.822085      7.187202
  C      -1.336460      0.839063      6.932888
  C      -1.848991     -0.305190      6.073172
  C      -1.875798      3.165892      7.489796
  C      -1.533993      3.824155      6.156880
  N      -2.695859      3.776160      5.267586
  H      -0.973503     -0.849855      5.669353
  H      -2.402639     -1.043559      6.691541
  H      -0.544858      1.370114      6.386599
  H      -0.904953      0.467922      7.880919
  H      -1.204240      4.864009      6.328152
  H      -0.676598      3.305675      5.692808
  H      -2.666728      3.745422      7.987111
  H      -1.014529      3.095167      8.180883
  H      -5.518125      1.456791      8.539525
  H      -4.751653      3.040293      8.334776
  H      -3.505763      0.258029      8.047734
  H      -3.043443      1.526044      9.215300
  C      -3.048075     -0.874330      4.053182
  C      -2.057205     -0.984348      2.881255
  C      -2.373509      0.000073      1.770116
  O      -3.591474     -0.502659      1.156611
  C      -4.214604      0.069722      0.117614
  C      -5.272716     -0.669751     -0.409703
  C      -6.006536     -0.183736     -1.497539
  N      -5.776009      0.971751     -2.111602
  C      -4.749670      1.718151     -1.613617
  C      -4.473040      2.966659     -2.224971
  C      -3.468031      3.763118     -1.730208
  C      -2.732629      3.305386     -0.613242
  N      -2.940111      2.144181     -0.016240
  C      -3.928835      1.339024     -0.493828
  C      -3.400866      5.056212      5.270262
  C      -4.547910      5.178097      4.274020
  C      -4.045224      5.366661      2.850022
  O      -5.010612      4.973066      1.847237
  C      -6.167412      5.651131      1.736941
  C      -6.482740      6.843911      2.370826
  C      -7.754401      7.418019      2.157931
  N      -8.696899      6.927260      1.369099
  C      -8.388486      5.769493      0.709345
  C      -9.334963      5.206251     -0.180207
  C      -9.021157      4.044340     -0.848803
  C      -7.765786      3.435680     -0.619865
  N      -6.852040      3.920756      0.207749
  C      -7.146653      5.076062      0.859122
  C      -6.522405      2.116443      6.252733
  C      -7.072958      3.516588      6.592559
  C      -8.398671      3.799853      5.909800
  O      -8.145848      3.815159      4.484237
  C      -9.211831      3.620153      3.664941
  C     -10.316101      4.451080      3.626136
  C     -11.340730      4.185582      2.690465
  N     -11.336242      3.185826      1.820684
  C     -10.248429      2.360986      1.841984
  C     -10.163665      1.286310      0.922399
  C      -9.052872      0.470807      0.940277
  C      -8.034072      0.714194      1.893028
  N      -8.081293      1.690702      2.783114
  C      -9.154387      2.521509      2.751653
  H      -3.090370     -1.838400      4.594300
  H      -4.054040     -0.696969      3.648273
  H      -1.033568     -0.795555      3.242622
  H      -2.070494     -2.004258      2.463060
  H      -1.582328      0.043775      1.008273
  H      -2.548587      1.011657      2.153519
  H      -5.517672     -1.631773      0.041742
  H      -6.834171     -0.784007     -1.890513
  H      -5.087521      3.264160     -3.076262
  H      -3.237940      4.730906     -2.178528
  H      -1.935132      3.927813     -0.193820
  H      -2.675669      5.874386      5.074633
  H      -3.813366      5.265711      6.281440
  H      -5.179452      6.021934      4.583016
  H      -5.175758      4.276885      4.312067
  H      -3.196652      4.695138      2.665502
  H      -3.724937      6.405206      2.660641
  H      -5.778249      7.345516      3.030994
  H      -7.997794      8.350280      2.679305
  H     -10.293632      5.711531     -0.305495
  H      -9.729494      3.578616     -1.535201
  H      -7.503090      2.511200     -1.142509
  H      -7.097214      1.359424      6.825321
  H      -6.690520      1.924679      5.185142
  H      -6.343164      4.274619      6.267845
  H      -7.208045      3.644745      7.678594
  H      -8.817016      4.768008      6.232669
  H      -9.138200      3.009871      6.125776
  H     -10.381826      5.323598      4.276965
  H     -12.208324      4.852585      2.655946
  H     -10.979199      1.147815      0.210401
  H      -8.945197     -0.352307      0.232088
  H      -7.131820      0.093680      1.910737
  N      -4.506272      2.030381      3.670107
  N      -5.037707      1.939767      2.556850
  H      -5.172782      2.842156      2.062429
101
Coordinates from ORCA-job orca E -6484.304739628014
  N      -2.698553      0.182707      5.001699
  Mo     -3.615672      1.935867      5.238144
  N      -5.102168      1.971468      6.520917
  C      -4.765869      2.010944      7.947413
  C      -3.414736      1.347507      8.192599
  N      -2.423311      1.817276      7.194433
  C      -1.346120      0.829172      6.949183
  C      -1.857724     -0.315151      6.088925
  C      -1.879041      3.160765      7.491605
  C      -1.532271      3.810582      6.156153
  N      -2.693410      3.761953      5.265997
  H      -0.981976     -0.865847      5.694083
  H      -2.420649     -1.048474      6.704865
  H      -0.549219      1.355444      6.405929
  H      -0.921601      0.459054      7.900714
  H      -1.198687      4.850036      6.322043
  H      -0.676499      3.285823      5.696294
  H      -2.668748      3.745813      7.984321
  H      -1.019223      3.090111      8.184449
  H      -5.530506      1.474123      8.540976
  H      -4.754574      3.051860      8.326928
  H      -3.521846      0.261757      8.059245
  H      -3.057669      1.533488      9.222279
  C      -3.023055     -0.878202      4.046555
  C      -2.016199     -0.970220      2.886704
  C      -2.334087      0.010850      1.772958
  O      -3.536575     -0.510778      1.145342
  C      -4.181240      0.068444      0.123177
  C      -5.248737     -0.669413     -0.387236
  C      -6.005807     -0.177245     -1.456030
  N      -5.790458      0.983042     -2.066558
  C      -4.753527      1.726515     -1.586860
  C      -4.489795      2.978323     -2.197097
  C      -3.470116      3.769237     -1.723839
  C      -2.706678      3.302381     -0.629752
  N      -2.902891      2.138773     -0.033480
  C      -3.907085      1.339892     -0.488792
  C      -3.388531      5.047384      5.253716
  C      -4.540602      5.163640      4.262760
  C      -4.046476      5.339722      2.834415
  O      -5.024358      4.952861      1.841493
  C      -6.173909      5.643653      1.735747
  C      -6.473746      6.839924      2.370660
  C      -7.741260      7.425954      2.165676
  N      -8.693417      6.943546      1.383249
  C      -8.398964      5.784053      0.720139
  C      -9.355112      5.231203     -0.165650
  C      -9.053877      4.070024     -0.841253
  C      -7.801913      3.450826     -0.621876
  N      -6.880743      3.924349      0.204144
  C      -7.162382      5.079498      0.861476
  C      -6.525950      2.126473      6.248001
  C      -7.064346      3.534704      6.574382
  C      -8.390440      3.824124      5.894199
  O      -8.148373      3.792181      4.467445
  C      -9.220153      3.603112      3.656266
  C     -10.331254      4.426056      3.636167
  C     -11.360666      4.164052      2.704874
  N     -11.357197      3.173660      1.824462
  C     -10.265068      2.354199      1.830319
  C     -10.184076      1.285117      0.903792
  C      -9.071277      0.472253      0.908893
  C      -8.045773      0.713416      1.854871
  N      -8.088092      1.685944      2.749554
  C      -9.164169      2.513195      2.731811
  H      -3.064114     -1.846814      4.579372
  H      -4.025155     -0.705840      3.629907
  H      -1.000300     -0.766024      3.261214
  H      -2.008074     -1.989294      2.466312
  H      -1.534477      0.067485      1.020995
  H      -2.528651      1.019494      2.155026
  H      -5.484050     -1.633846      0.064188
  H      -6.841407     -0.775610     -1.834809
  H      -5.125014      3.282292     -3.030677
  H      -3.249008      4.738996     -2.172386
  H      -1.895155      3.919037     -0.229011
  H      -2.658849      5.857767      5.043165
  H      -3.793299      5.272525      6.264580
  H      -5.169110      6.011036      4.568084
  H      -5.169024      4.263578      4.311864
  H      -3.207143      4.657826      2.645586
  H      -3.716038      6.373794      2.638064
  H      -5.760170      7.335071      3.025941
  H      -7.972793      8.360356      2.688633
  H     -10.310375      5.744705     -0.283630
  H      -9.769449      3.613115     -1.526080
  H      -7.547070      2.527259     -1.150443
  H      -7.108032      1.379163      6.825891
  H      -6.693521      1.927143      5.181836
  H      -6.328957      4.282298      6.238816
  H      -7.194283      3.676209      7.659370
  H      -8.785387      4.809615      6.193139
  H      -9.144698      3.056531      6.138184
  H     -10.400423      5.289843      4.298172
  H     -12.232545      4.826061      2.684196
  H     -11.005176      1.147775      0.197976
  H      -8.967352     -0.347442      0.196162
  H      -7.143060      0.093558      1.864419
  N      -4.507257      2.015791      3.671791
  N      -5.040987      1.915432      2.559688
  H      -5.204328      2.818316      2.074340
101
Coordinates from ORCA-job orca E -6484.305362853296
  N      -2.695347      0.175053      5.006501
  Mo     -3.617593      1.926077      5.238929
  N      -5.107044      1.970339      6.520443
  C      -4.773129      2.016017      7.947193
  C      -3.425273      1.348818      8.197691
  N      -2.430835      1.812852      7.200230
  C      -1.354414      0.821746      6.962432
  C      -1.862876     -0.322738      6.100163
  C      -1.884711      3.156664      7.493155
  C      -1.533173      3.799741      6.155845
  N      -2.692636      3.748627      5.263583
  H      -0.985605     -0.875249      5.711434
  H      -2.430996     -1.054278      6.713328
  H      -0.552892      1.345327      6.423422
  H      -0.936639      0.451947      7.917009
  H      -1.198232      4.839346      6.317521
  H      -0.677370      3.270998      5.700692
  H      -2.674349      3.745503      7.981366
  H      -1.026543      3.087053      8.188089
  H      -5.541199      1.485915      8.542288
  H      -4.757782      3.058974      8.321028
  H      -3.535372      0.263042      8.066696
  H      -3.069813      1.536538      9.227610
  C      -3.003129     -0.881783      4.041574
  C      -1.984065     -0.958415      2.890876
  C      -2.301021      0.021586      1.775427
  O      -3.489833     -0.512672      1.132823
  C      -4.151543      0.076928      0.127348
  C      -5.228028     -0.655034     -0.372291
  C      -6.000737     -0.152586     -1.424998
  N      -5.792656      1.012060     -2.029623
  C      -4.744908      1.748187     -1.562575
  C      -4.484453      3.001827     -2.170331
  C      -3.448755      3.781862     -1.714000
  C      -2.665962      3.302223     -0.639315
  N      -2.860106      2.137364     -0.044597
  C      -3.881089      1.350047     -0.482317
  C      -3.378702      5.038668      5.233630
  C      -4.534690      5.147384      4.246293
  C      -4.047534      5.311971      2.814432
  O      -5.035058      4.929423      1.829496
  C      -6.178203      5.631001      1.725338
  C      -6.464945      6.831430      2.358641
  C      -7.728716      7.427251      2.159125
  N      -8.688958      6.950679      1.383018
  C      -8.406400      5.788661      0.719230
  C      -9.370905      5.242932     -0.161959
  C      -9.080600      4.081019     -0.841047
  C      -7.831472      3.453481     -0.629074
  N      -6.903900      3.918737      0.194355
  C      -7.174400      5.074838      0.854659
  C      -6.529831      2.134722      6.246403
  C      -7.055192      3.550617      6.561957
  C      -8.381962      3.847969      5.885956
  O      -8.154059      3.766800      4.459560
  C      -9.233530      3.585970      3.659234
  C     -10.349351      4.403231      3.659018
  C     -11.385420      4.146450      2.733741
  N     -11.386470      3.165012      1.843333
  C     -10.291925      2.348671      1.832889
  C     -10.217802      1.284734      0.899849
  C      -9.104736      0.472292      0.891466
  C      -8.071120      0.709599      1.829452
  N      -8.105741      1.678588      2.728248
  C      -9.182916      2.504263      2.724622
  H      -3.042770     -1.854263      4.567323
  H      -4.002272     -0.713131      3.616242
  H      -0.974521     -0.743278      3.276180
  H      -1.959803     -1.976123      2.467898
  H      -1.493260      0.088984      1.033273
  H      -2.511216      1.027519      2.156853
  H      -5.459079     -1.621930      0.075964
  H      -6.844036     -0.745749     -1.794745
  H      -5.133955      3.315279     -2.989195
  H      -3.229014      4.752300     -2.161849
  H      -1.839580      3.908813     -0.253911
  H      -2.644847      5.841162      5.008004
  H      -3.777029      5.280389      6.243097
  H      -5.161845      5.997274      4.547154
  H      -5.162656      4.247589      4.305105
  H      -3.215318      4.622068      2.623188
  H      -3.709240      6.342229      2.611365
  H      -5.743735      7.322195      3.008776
  H      -7.950134      8.364376      2.681542
  H     -10.323250      5.763094     -0.274328
  H      -9.802711      3.629973     -1.522826
  H      -7.583733      2.529243     -1.160061
  H      -7.117799      1.396534      6.829879
  H      -6.698787      1.928953      5.181887
  H      -6.313889      4.287434      6.216438
  H      -7.179110      3.703849      7.646018
  H      -8.751139      4.850630      6.159636
  H      -9.151199      3.105583      6.159203
  H     -10.418264      5.259019      4.331186
  H     -12.259854      4.805390      2.727438
  H     -11.045107      1.150111      0.200801
  H      -9.006896     -0.344363      0.174421
  H      -7.168983      0.088884      1.830053
  N      -4.507868      2.001992      3.672067
  N      -5.043505      1.890410      2.561386
  H      -5.232130      2.791472      2.081915
101
Coordinates from ORCA-job orca E -6484.305945941310
  N      -2.693771      0.166314      5.014048
  Mo     -3.620633      1.915182      5.242435
  N      -5.112290      1.968857      6.523319
  C      -4.780351      2.021579      7.950148
  C      -3.435534      1.350697      8.205332
  N      -2.438425      1.808078      7.207536
  C      -1.363291      0.813293      6.977353
  C      -1.869654     -0.331577      6.113978
  C      -1.890142      3.152342      7.494837
  C      -1.533155      3.787193      6.155337
  N      -2.690603      3.733135      5.260370
  H      -0.991177     -0.886454      5.731423
  H      -2.443116     -1.060869      6.724821
  H      -0.556796      1.333370      6.442419
  H      -0.952475      0.443982      7.935131
  H      -1.196854      4.827043      6.312103
  H      -0.677050      3.254068      5.705854
  H      -2.679838      3.745660      7.977491
  H      -1.034012      3.084484      8.192493
  H      -5.551563      1.498321      8.547240
  H      -4.760960      3.066654      8.318089
  H      -3.549097      0.264900      8.076996
  H      -3.080695      1.540257      9.235165
  C      -2.983595     -0.885353      4.038251
  C      -1.950923     -0.945337      2.898556
  C      -2.266708      0.034675      1.782758
  O      -3.439541     -0.513773      1.123070
  C      -4.119703      0.083803      0.134639
  C      -5.205060     -0.644569     -0.350480
  C      -5.996665     -0.134302     -1.385257
  N      -5.799680      1.034654     -1.985164
  C      -4.741861      1.766247     -1.533990
  C      -4.489649      3.022312     -2.140097
  C      -3.439103      3.794293     -1.704254
  C      -2.633212      3.304223     -0.651530
  N      -2.820909      2.137935     -0.057261
  C      -3.857095      1.359054     -0.474207
  C      -3.364860      5.028990      5.209808
  C      -4.525764      5.131052      4.227578
  C      -4.047879      5.282485      2.791347
  O      -5.047662      4.904689      1.816938
  C      -6.183801      5.618158      1.717686
  C      -6.454579      6.822779      2.350365
  C      -7.714631      7.429427      2.160200
  N      -8.685798      6.959589      1.393549
  C      -8.418175      5.794922      0.728169
  C      -9.393657      5.257648     -0.146218
  C      -9.116624      4.095782     -0.830955
  C      -7.870410      3.458611     -0.630124
  N      -6.934039      3.914496      0.188601
  C      -7.190800      5.071139      0.853482
  C      -6.533711      2.142453      6.246330
  C      -7.045358      3.567232      6.545097
  C      -8.371100      3.872353      5.869567
  O      -8.156291      3.738116      4.445741
  C      -9.241425      3.567720      3.653574
  C     -10.363236      4.377086      3.675235
  C     -11.405118      4.126663      2.754754
  N     -11.409497      3.156407      1.852156
  C     -10.311369      2.344976      1.823514
  C     -10.243850      1.286917      0.883206
  C      -9.129156      0.477105      0.858702
  C      -8.086545      0.711473      1.787406
  N      -8.114438      1.675188      2.692083
  C      -9.194047      2.497329      2.705137
  H      -3.022468     -1.862101      4.556028
  H      -3.979030     -0.720064      3.602922
  H      -0.948479     -0.719287      3.296001
  H      -1.909259     -1.961057      2.472123
  H      -1.450105      0.115719      1.051889
  H      -2.495355      1.036525      2.164701
  H      -5.429272     -1.613855      0.096137
  H      -6.847449     -0.724261     -1.742964
  H      -5.156271      3.343415     -2.942073
  H      -3.224473      4.765885     -2.152237
  H      -1.793031      3.903201     -0.284315
  H      -2.625309      5.820995      4.966333
  H      -3.754707      5.290663      6.217473
  H      -5.149957      5.984542      4.524232
  H      -5.154499      4.232695      4.297634
  H      -3.223900      4.583746      2.596706
  H      -3.701008      6.308293      2.580007
  H      -5.723442      7.308447      2.993222
  H      -7.923443      8.369377      2.682826
  H     -10.342737      5.785542     -0.250538
  H      -9.846626      3.653007     -1.509771
  H      -7.631216      2.534940     -1.166328
  H      -7.128655      1.415740      6.836998
  H      -6.702628      1.926536      5.184077
  H      -6.296540      4.291249      6.189279
  H      -7.165172      3.735252      7.627436
  H      -8.713328      4.892122      6.113580
  H      -9.156060      3.158325      6.171935
  H     -10.433894      5.222054      4.360712
  H     -12.283170      4.780848      2.764799
  H     -11.078727      1.153162      0.192975
  H      -9.037293     -0.335832      0.136574
  H      -7.184042      0.091439      1.777055
  N      -4.510937      1.986782      3.676725
  N      -5.049124      1.864000      2.568154
  H      -5.262571      2.761005      2.091702
101
Coordinates from ORCA-job orca E -6484.306503327564
  N      -2.691732      0.159939      5.020911
  Mo     -3.623224      1.906304      5.244772
  N      -5.115623      1.965633      6.526914
  C      -4.784537      2.024291      7.953454
  C      -3.441269      1.352006      8.211201
  N      -2.443724      1.805755      7.212443
  C      -1.368293      0.809783      6.988269
  C      -1.871371     -0.336153      6.124129
  C      -1.895591      3.150953      7.494877
  C      -1.534720      3.779545      6.153996
  N      -2.690331      3.720558      5.256897
  H      -0.990997     -0.890268      5.745033
  H      -2.446323     -1.065298      6.733578
  H      -0.558367      1.328201      6.457089
  H      -0.963002      0.441148      7.948588
  H      -1.199701      4.820209      6.307044
  H      -0.677085      3.244789      5.709434
  H      -2.686240      3.746929      7.972571
  H      -1.041203      3.085938      8.194880
  H      -5.557207      1.505565      8.552546
  H      -4.762936      3.070965      8.316868
  H      -3.556571      0.266207      8.084307
  H      -3.086067      1.542824      9.240637
  C      -2.967580     -0.888601      4.038230
  C      -1.924269     -0.936610      2.907392
  C      -2.237245      0.042882      1.790238
  O      -3.394726     -0.517307      1.113716
  C      -4.089175      0.088313      0.139978
  C      -5.180119     -0.636536     -0.337186
  C      -5.984275     -0.117936     -1.357982
  N      -5.794812      1.055590     -1.950940
  C      -4.729789      1.782512     -1.509508
  C      -4.481868      3.040988     -2.112000
  C      -3.418646      3.804008     -1.691147
  C      -2.596305      3.302899     -0.656542
  N      -2.781567      2.135292     -0.063930
  C      -3.830556      1.365658     -0.465979
  C      -3.353221      5.021468      5.185596
  C      -4.518934      5.116331      4.208641
  C      -4.049092      5.256588      2.768942
  O      -5.058334      4.882853      1.802826
  C      -6.188948      5.605709      1.707200
  C      -6.448775      6.812527      2.340451
  C      -7.705793      7.427241      2.156435
  N      -8.683718      6.963764      1.394572
  C      -8.425900      5.798704      0.726246
  C      -9.407430      5.269235     -0.146225
  C      -9.138191      4.109040     -0.837006
  C      -7.894260      3.465126     -0.643415
  N      -6.954187      3.912247      0.175561
  C      -7.202496      5.067397      0.845400
  C      -6.536065      2.146634      6.248948
  C      -7.035599      3.578628      6.534077
  C      -8.361974      3.890882      5.862062
  O      -8.164779      3.706953      4.442022
  C      -9.257089      3.549254      3.659936
  C     -10.383801      4.351337      3.706749
  C     -11.433265      4.109535      2.792795
  N     -11.443469      3.152454      1.876417
  C     -10.342677      2.345499      1.826057
  C     -10.283117      1.296701      0.874951
  C      -9.167280      0.489236      0.830455
  C      -8.114272      0.718001      1.748472
  N      -8.133959      1.673909      2.661546
  C      -9.215745      2.492123      2.695743
  H      -3.005322     -1.868126      4.550748
  H      -3.960153     -0.726523      3.595171
  H      -0.927805     -0.702362      3.314823
  H      -1.869235     -1.950753      2.478925
  H      -1.411907      0.135098      1.070824
  H      -2.482319      1.041270      2.171516
  H      -5.399953     -1.608498      0.105597
  H      -6.840102     -0.704511     -1.709005
  H      -5.160590      3.370352     -2.900223
  H      -3.205858      4.776505     -2.138027
  H      -1.744454      3.893571     -0.303211
  H      -2.608552      5.802903      4.924428
  H      -3.734563      5.302719      6.191004
  H      -5.141372      5.972279      4.501496
  H      -5.147408      4.218876      4.288667
  H      -3.231779      4.550804      2.571852
  H      -3.695459      6.278597      2.550583
  H      -5.711243      7.293612      2.979301
  H      -7.906056      8.368369      2.680145
  H     -10.354091      5.802387     -0.245156
  H      -9.872714      3.673048     -1.515260
  H      -7.659310      2.543562     -1.184995
  H      -7.135738      1.429984      6.846889
  H      -6.706319      1.921407      5.189182
  H      -6.280945      4.291346      6.168511
  H      -7.149667      3.758696      7.615031
  H      -8.678193      4.925242      6.077960
  H      -9.159848      3.204558      6.193193
  H     -10.453630      5.184357      4.406518
  H     -12.313848      4.759679      2.821390
  H     -11.125611      1.167057      0.193341
  H      -9.082777     -0.317506      0.100611
  H      -7.210861      0.099625      1.723286
  N      -4.515830      1.973643      3.678940
  N      -5.057311      1.840440      2.572600
  H      -5.292938      2.732145      2.096997
101
Coordinates from ORCA-job orca E -6484.307040092779
  N      -2.689452      0.153030      5.028784
  Mo     -3.625324      1.897155      5.248612
  N      -5.118789      1.960336      6.531945
  C      -4.788608      2.025072      7.957995
  C      -3.446378      1.352515      8.217921
  N      -2.448760      1.803521      7.218159
  C      -1.372301      0.807042      6.999506
  C      -1.871520     -0.340536      6.134802
  C      -1.902137      3.150299      7.495751
  C      -1.536628      3.772836      6.153561
  N      -2.689675      3.707992      5.252889
  H      -0.988836     -0.893072      5.758738
  H      -2.446664     -1.070312      6.743312
  H      -0.559399      1.324382      6.471867
  H      -0.971910      0.439574      7.962354
  H      -1.204004      4.814635      6.303432
  H      -0.676168      3.237507      5.714982
  H      -2.694825      3.748261      7.967608
  H      -1.050091      3.089146      8.199052
  H      -5.562076      1.509761      8.559074
  H      -4.765969      3.073241      8.317382
  H      -3.562518      0.266611      8.092303
  H      -3.090686      1.544682      9.246958
  C      -2.951817     -0.892807      4.039960
  C      -1.898548     -0.928978      2.917761
  C      -2.210174      0.050887      1.800566
  O      -3.352134     -0.520856      1.107269
  C      -4.060503      0.093224      0.148910
  C      -5.157818     -0.626884     -0.320217
  C      -5.974459     -0.098659     -1.326311
  N      -5.791123      1.079376     -1.912122
  C      -4.717853      1.800321     -1.480633
  C      -4.472086      3.060655     -2.080039
  C      -3.395462      3.813372     -1.674613
  C      -2.558377      3.300821     -0.657422
  N      -2.742982      2.132411     -0.065890
  C      -3.805046      1.372936     -0.453363
  C      -3.339586      5.014241      5.157332
  C      -4.510542      5.102297      4.185886
  C      -4.050661      5.231741      2.742124
  O      -5.070397      4.861100      1.785690
  C      -6.195491      5.592986      1.695458
  C      -6.442588      6.802815      2.328479
  C      -7.697220      7.425170      2.154145
  N      -8.684734      6.966757      1.401635
  C      -8.439055      5.800204      0.731222
  C      -9.430010      5.277192     -0.134554
  C      -9.171083      4.118241     -0.831390
  C      -7.928587      3.467951     -0.649568
  N      -6.981201      3.907553      0.165034
  C      -7.218691      5.061951      0.840052
  C      -6.538114      2.148654      6.252511
  C      -7.024492      3.588778      6.519175
  C      -8.350188      3.907264      5.848082
  O      -8.170155      3.671400      4.434281
  C      -9.268456      3.530078      3.660926
  C     -10.398886      4.325615      3.733362
  C     -11.455571      4.095084      2.824671
  N     -11.472600      3.152494      1.893505
  C     -10.369741      2.349416      1.820676
  C     -10.319345      1.309877      0.858849
  C      -9.202465      0.505189      0.792806
  C      -8.138158      0.728317      1.699099
  N      -8.149310      1.675243      2.621527
  C      -9.233262      2.488794      2.678516
  H      -2.988310     -1.874899      4.547740
  H      -3.941708     -0.734205      3.589582
  H      -0.907714     -0.687133      3.334531
  H      -1.830384     -1.941205      2.486643
  H      -1.377130      0.156343      1.092071
  H      -2.472708      1.044642      2.182851
  H      -5.374183     -1.601547      0.118380
  H      -6.835923     -0.681164     -1.670529
  H      -5.161932      3.398876     -2.854755
  H      -3.182760      4.786130     -2.121199
  H      -1.694654      3.882530     -0.318159
  H      -2.588810      5.783324      4.877560
  H      -3.712051      5.317456      6.159541
  H      -5.130648      5.960855      4.475800
  H      -5.139051      4.205808      4.276311
  H      -3.239700      4.519549      2.541955
  H      -3.691236      6.250117      2.515942
  H      -5.696658      7.280509      2.960076
  H      -7.887034      8.368148      2.678552
  H     -10.374739      5.815369     -0.225131
  H      -9.912387      3.689115     -1.506721
  H      -7.700084      2.548201     -1.197082
  H      -7.142764      1.444217      6.859838
  H      -6.710007      1.910698      5.195965
  H      -6.262696      4.288260      6.143274
  H      -7.134009      3.783890      7.598034
  H      -8.640495      4.955279      6.032097
  H      -9.160691      3.250708      6.207926
  H     -10.467614      5.144838      4.449261
  H     -12.337956      4.741782      2.872704
  H     -11.170598      1.183587      0.187458
  H      -9.126263     -0.295228      0.055015
  H      -7.233884      0.111957      1.657842
  N      -4.519246      1.960110      3.684331
  N      -5.062991      1.816182      2.580422
  H      -5.322466      2.701208      2.105385
101
Coordinates from ORCA-job orca E -6484.307558690898
  N      -2.687607      0.148497      5.037772
  Mo     -3.626480      1.890671      5.253772
  N      -5.120378      1.953831      6.539057
  C      -4.790671      2.023882      7.964494
  C      -3.448445      1.352458      8.225429
  N      -2.451974      1.802574      7.224235
  C      -1.373695      0.807026      7.009395
  C      -1.869335     -0.342290      6.144543
  C      -1.907834      3.150892      7.498291
  C      -1.538897      3.769774      6.155683
  N      -2.689869      3.698744      5.252115
  H      -0.984581     -0.892159      5.769478
  H      -2.442689     -1.073570      6.752874
  H      -0.559190      1.324381      6.484362
  H      -0.976495      0.440778      7.974006
  H      -1.210233      4.812887      6.304100
  H      -0.674994      3.236110      5.721763
  H      -2.702870      3.749593      7.965197
  H      -1.057834      3.093606      8.204413
  H      -5.563881      1.510295      8.567437
  H      -4.768287      3.073133      8.321014
  H      -3.564358      0.266422      8.100759
  H      -3.091730      1.545879      9.253860
  C      -2.939621     -0.895510      4.044668
  C      -1.877548     -0.925252      2.930522
  C      -2.185303      0.054603      1.812188
  O      -3.311259     -0.528398      1.101699
  C      -4.030255      0.090766      0.153919
  C      -5.128975     -0.629277     -0.311444
  C      -5.955490     -0.095891     -1.306833
  N      -5.780861      1.087042     -1.884825
  C      -4.704717      1.806990     -1.458987
  C      -4.465642      3.070790     -2.053502
  C      -3.382193      3.819216     -1.658366
  C      -2.532024      3.299256     -0.655798
  N      -2.711689      2.128576     -0.066913
  C      -3.780608      1.373518     -0.444460
  C      -3.325666      5.010208      5.132059
  C      -4.502298      5.092021      4.166849
  C      -4.052009      5.213295      2.719450
  O      -5.080367      4.845477      1.771092
  C      -6.201171      5.584478      1.686099
  C      -6.439113      6.795373      2.320845
  C      -7.691672      7.423891      2.154086
  N      -8.685731      6.971066      1.406994
  C      -8.448607      5.805127      0.732506
  C      -9.445423      5.289292     -0.130897
  C      -9.193100      4.133412     -0.835253
  C      -7.951885      3.478287     -0.662577
  N      -7.000680      3.909733      0.151664
  C      -7.230870      5.061353      0.833379
  C      -6.538484      2.148531      6.258187
  C      -7.010955      3.596894      6.503922
  C      -8.336530      3.920843      5.834666
  O      -8.177002      3.631518      4.429127
  C      -9.281939      3.508405      3.665276
  C     -10.415597      4.296662      3.766963
  C     -11.481234      4.078783      2.865586
  N     -11.507072      3.152816      1.918297
  C     -10.402417      2.354465      1.818970
  C     -10.362544      1.327285      0.843526
  C      -9.244574      0.526439      0.751415
  C      -8.167282      0.742733      1.643638
  N      -8.168261      1.678430      2.577476
  C      -9.254830      2.485501      2.662456
  H      -2.976732     -1.878872      4.550000
  H      -3.926659     -0.738952      3.587271
  H      -0.891446     -0.679046      3.355831
  H      -1.799839     -1.936126      2.497935
  H      -1.344152      0.171732      1.115463
  H      -2.464341      1.044033      2.194297
  H      -5.340114     -1.606974      0.122833
  H      -6.818724     -0.677977     -1.647289
  H      -5.165048      3.414554     -2.817046
  H      -3.173675      4.793874     -2.102843
  H      -1.661858      3.876937     -0.326307
  H      -2.568578      5.765873      4.833593
  H      -3.688305      5.335907      6.130663
  H      -5.120713      5.952203      4.455187
  H      -5.129973      4.196006      4.266554
  H      -3.246181      4.496200      2.516174
  H      -3.688430      6.228784      2.486953
  H      -5.687460      7.269497      2.948235
  H      -7.873862      8.367113      2.680721
  H     -10.388685      5.831066     -0.214842
  H      -9.938556      3.711102     -1.510312
  H      -7.726924      2.561869     -1.217035
  H      -7.147761      1.457726      6.876367
  H      -6.712986      1.895718      5.205610
  H      -6.242376      4.281753      6.115517
  H      -7.114190      3.808920      7.580186
  H      -8.600339      4.981258      5.984164
  H      -9.158489      3.296650      6.225213
  H     -10.481838      5.099741      4.500882
  H     -12.365131      4.721360      2.936046
  H     -11.223326      1.206023      0.183480
  H      -9.177982     -0.265471      0.003566
  H      -7.261866      0.129720      1.582661
  N      -4.523386      1.950634      3.690341
  N      -5.069280      1.798185      2.588627
  H      -5.348148      2.677024      2.113472
101
Coordinates from ORCA-job orca E -6484.307783390309
  N      -2.686928      0.132861      5.047801
  Mo     -3.631642      1.873581      5.249802
  N      -5.123763      1.953182      6.542659
  C      -4.791661      2.035684      7.967073
  C      -3.454499      1.357024      8.231048
  N      -2.457883      1.794157      7.222722
  C      -1.380919      0.794791      7.017591
  C      -1.874636     -0.356926      6.156490
  C      -1.910702      3.147483      7.481559
  C      -1.535307      3.754101      6.131711
  N      -2.683783      3.681231      5.223372
  H      -0.990052     -0.908232      5.785015
  H      -2.450271     -1.087212      6.764308
  H      -0.563106      1.308046      6.493506
  H      -0.989347      0.432350      7.985871
  H      -1.203525      4.799468      6.270533
  H      -0.670291      3.212202      5.705699
  H      -2.704755      3.755181      7.941192
  H      -1.062855      3.094205      8.189885
  H      -5.567721      1.532595      8.577088
  H      -4.761458      3.089149      8.313838
  H      -3.577022      0.269321      8.114791
  H      -3.094792      1.556788      9.257563
  C      -2.916702     -0.905733      4.046083
  C      -1.835790     -0.917852      2.948539
  C      -2.123575      0.062980      1.830777
  O      -3.218403     -0.521610      1.090604
  C      -3.950275      0.126807      0.173847
  C      -5.067024     -0.565460     -0.284360
  C      -5.912968      0.003552     -1.243853
  N      -5.742608      1.196212     -1.792766
  C      -4.646052      1.887372     -1.376984
  C      -4.406686      3.158566     -1.944675
  C      -3.297484      3.873048     -1.566390
  C      -2.421668      3.312789     -0.607958
  N      -2.604642      2.136859     -0.041197
  C      -3.699151      1.414815     -0.401137
  C      -3.296327      5.007357      5.061363
  C      -4.480798      5.070679      4.103214
  C      -4.042537      5.146734      2.641726
  O      -5.091745      4.771179      1.717362
  C      -6.199820      5.531890      1.631227
  C      -6.403425      6.760339      2.246735
  C      -7.647843      7.410433      2.084775
  N      -8.668525      6.958712      1.363612
  C      -8.465632      5.776367      0.707454
  C      -9.493110      5.261281     -0.129624
  C      -9.273005      4.093803     -0.822390
  C      -8.031689      3.427990     -0.664200
  N      -7.055496      3.853865      0.129732
  C      -7.255084      5.014834      0.800544
  C      -6.540842      2.152029      6.266360
  C      -6.999998      3.608449      6.491731
  C      -8.340010      3.925746      5.839990
  O      -8.223885      3.574652      4.440935
  C      -9.347680      3.479371      3.698076
  C     -10.491130      4.257417      3.850246
  C     -11.565306      4.067741      2.952431
  N     -11.594674      3.175010      1.967638
  C     -10.486035      2.379988      1.827188
  C     -10.451991      1.379511      0.818918
  C      -9.332572      0.577550      0.689052
  C      -8.246330      0.769771      1.574717
  N      -8.238904      1.683063      2.534551
  C      -9.328535      2.487180      2.658937
  H      -2.954218     -1.890609      4.544638
  H      -3.897732     -0.754232      3.572558
  H      -0.864798     -0.665422      3.395879
  H      -1.741025     -1.919575      2.506065
  H      -1.272500      0.198757      1.149669
  H      -2.419883      1.038355      2.221578
  H      -5.279770     -1.546857      0.130452
  H      -6.792664     -0.554953     -1.576316
  H      -5.125111      3.533683     -2.675666
  H      -3.086575      4.851161     -1.991147
  H      -1.525709      3.860129     -0.297918
  H      -2.526772      5.745005      4.725935
  H      -3.645969      5.376197      6.058787
  H      -5.089953      5.945537      4.376036
  H      -5.116548      4.178215      4.234831
  H      -3.250710      4.410402      2.439693
  H      -3.661382      6.153495      2.379176
  H      -5.630554      7.231317      2.856395
  H      -7.802573      8.367396      2.597205
  H     -10.433609      5.813578     -0.203761
  H     -10.042833      3.671831     -1.477780
  H      -7.827488      2.505921     -1.210744
  H      -7.148969      1.476168      6.901278
  H      -6.724000      1.878992      5.218990
  H      -6.231324      4.283414      6.075957
  H      -7.081189      3.841807      7.570623
  H      -8.574519      4.996153      5.954068
  H      -9.167836      3.334467      6.276162
  H     -10.561139      5.030742      4.619933
  H     -12.454575      4.706247      3.059589
  H     -11.318643      1.277824      0.164933
  H      -9.271267     -0.196280     -0.083127
  H      -7.340791      0.155068      1.487543
  N      -4.544308      1.884136      3.692684
  N      -5.098653      1.705774      2.595913
  H      -5.424711      2.590046      2.129830
101
Coordinates from ORCA-job orca E -6484.306692442483
  N      -2.661249      0.152669      5.046275
  Mo     -3.625769      1.887235      5.253658
  N      -5.122706      1.946289      6.537512
  C      -4.796284      2.017112      7.960324
  C      -3.460055      1.340465      8.226625
  N      -2.461623      1.786124      7.230091
  C      -1.375229      0.803367      7.028386
  C      -1.855635     -0.336341      6.154020
  C      -1.925608      3.139464      7.498930
  C      -1.547869      3.758103      6.162709
  N      -2.688551      3.687522      5.236138
  H      -0.969160     -0.875550      5.789032
  H      -2.432528     -1.070763      6.746355
  H      -0.558729      1.326929      6.516938
  H      -0.987570      0.436790      7.995150
  H      -1.223224      4.797686      6.314893
  H      -0.676500      3.230393      5.744790
  H      -2.725251      3.734116      7.953722
  H      -1.081557      3.092133      8.212856
  H      -5.573530      1.508341      8.559090
  H      -4.769490      3.063648      8.316483
  H      -3.579729      0.256319      8.101838
  H      -3.104656      1.533241      9.254518
  C      -2.858457     -0.893957      4.036793
  C      -1.741710     -0.885233      2.960566
  C      -2.047370      0.089594      1.838659
  O      -3.129118     -0.551509      1.077407
  C      -3.895245      0.089632      0.177372
  C      -5.021405     -0.619295     -0.257222
  C      -5.911821     -0.050045     -1.194490
  N      -5.775522      1.157364     -1.743656
  C      -4.668072      1.863311     -1.352679
  C      -4.466363      3.152097     -1.919682
  C      -3.352609      3.881926     -1.565001
  C      -2.430846      3.318753     -0.632431
  N      -2.574293      2.125333     -0.067717
  C      -3.677950      1.391134     -0.401511
  C      -3.296757      5.003265      5.057783
  C      -4.477455      5.054543      4.095466
  C      -4.047881      5.121770      2.632737
  O      -5.096672      4.738393      1.718828
  C      -6.193940      5.506487      1.623814
  C      -6.380144      6.741949      2.225834
  C      -7.604676      7.412046      2.047395
  N      -8.625635      6.969207      1.328907
  C      -8.442657      5.778721      0.687471
  C      -9.470396      5.275844     -0.151183
  C      -9.266800      4.106194     -0.841844
  C      -8.045178      3.423831     -0.676014
  N      -7.070801      3.834541      0.123897
  C      -7.250954      4.999496      0.791861
  C      -6.538400      2.140589      6.253890
  C      -7.002666      3.585124      6.476720
  C      -8.350121      3.904731      5.837988
  O      -8.260941      3.548949      4.461851
  C      -9.386120      3.487667      3.722815
  C     -10.519298      4.267978      3.895533
  C     -11.582291      4.112730      2.982567
  N     -11.618170      3.245976      1.972472
  C     -10.527152      2.441713      1.820591
  C     -10.505924      1.458011      0.795411
  C      -9.404657      0.646576      0.655568
  C      -8.322573      0.814108      1.547829
  N      -8.302985      1.710516      2.522064
  C      -9.376326      2.521209      2.657634
  H      -2.883700     -1.881964      4.529842
  H      -3.840918     -0.764511      3.548580
  H      -0.770876     -0.594962      3.428543
  H      -1.604869     -1.901169      2.518662
  H      -1.173480      0.254822      1.174801
  H      -2.394123      1.074119      2.227904
  H      -5.211008     -1.611231      0.161640
  H      -6.806264     -0.617590     -1.504292
  H      -5.217688      3.528667     -2.630527
  H      -3.173898      4.875975     -1.986416
  H      -1.531662      3.878858     -0.342293
  H      -2.532814      5.730900      4.723434
  H      -3.643960      5.374495      6.041643
  H      -5.093594      5.923138      4.360120
  H      -5.101356      4.160408      4.232782
  H      -3.258759      4.390802      2.431346
  H      -3.674788      6.122917      2.358504
  H      -5.606564      7.204440      2.836297
  H      -7.743701      8.375317      2.547473
  H     -10.396522      5.840657     -0.232125
  H     -10.032291      3.697040     -1.504451
  H      -7.852013      2.501596     -1.225754
  H      -7.142363      1.466672      6.883106
  H      -6.721921      1.867855      5.209630
  H      -6.241848      4.254880      6.061804
  H      -7.074141      3.814065      7.546952
  H      -8.578676      4.962614      5.941519
  H      -9.168944      3.333199      6.278157
  H     -10.593975      5.015265      4.692667
  H     -12.458789      4.757388      3.101663
  H     -11.370529      1.374717      0.139123
  H      -9.351917     -0.115015     -0.129974
  H      -7.431556      0.192744      1.456645
  N      -4.548429      1.836937      3.702096
  N      -5.109188      1.642178      2.611496
  H      -5.475198      2.497420      2.148667
101
Coordinates from ORCA-job orca E -6484.302579765715
  N      -2.677780      0.165646      5.032109
  Mo     -3.621827      1.907605      5.258680
  N      -5.118401      1.959044      6.543462
  C      -4.789529      2.018853      7.963159
  C      -3.458854      1.326710      8.219655
  N      -2.455906      1.768449      7.224321
  C      -1.379483      0.776081      7.015385
  C      -1.878128     -0.350007      6.136719
  C      -1.907746      3.114979      7.500569
  C      -1.528487      3.749253      6.175167
  N      -2.673908      3.697453      5.253932
  H      -0.992917     -0.902166      5.771209
  H      -2.472384     -1.084249      6.726930
  H      -0.554471      1.292976      6.504940
  H      -0.996064      0.398746      7.979491
  H      -1.194706      4.783305      6.338948
  H      -0.662376      3.223974      5.749984
  H      -2.702316      3.707006      7.961804
  H      -1.062377      3.056730      8.208687
  H      -5.571060      1.511938      8.560502
  H      -4.752401      3.062359      8.326070
  H      -3.590728      0.245503      8.089070
  H      -3.098491      1.508793      9.245706
  C      -2.889356     -0.862094      4.022639
  C      -1.803735     -0.861266      2.948963
  C      -2.109380      0.106208      1.825365
  O      -3.185532     -0.514208      1.067595
  C      -3.949865      0.110540      0.170475
  C      -5.059643     -0.616726     -0.249199
  C      -5.918720     -0.077908     -1.181976
  N      -5.767468      1.117429     -1.740125
  C      -4.681005      1.845326     -1.360837
  C      -4.465457      3.124137     -1.934050
  C      -3.378670      3.877931     -1.586350
  C      -2.497037      3.349558     -0.656522
  N      -2.645474      2.161777     -0.089968
  C      -3.726375      1.405194     -0.414941
  C      -3.274379      5.005854      5.089363
  C      -4.460757      5.069940      4.132946
  C      -4.050041      5.164708      2.674567
  O      -5.101798      4.794089      1.756815
  C      -6.203003      5.551482      1.661101
  C      -6.404612      6.785197      2.254717
  C      -7.632344      7.442140      2.075268
  N      -8.638746      6.992242      1.359173
  C      -8.437962      5.806576      0.718125
  C      -9.445317      5.302834     -0.127850
  C      -9.218086      4.144895     -0.834944
  C      -8.001086      3.464629     -0.665700
  N      -7.050738      3.872406      0.149332
  C      -7.245111      5.035612      0.825351
  C      -6.535152      2.160420      6.255993
  C      -6.988048      3.617277      6.453801
  C      -8.324843      3.944435      5.799122
  O      -8.228757      3.538272      4.414891
  C      -9.343340      3.458700      3.665462
  C     -10.462387      4.237550      3.796473
  C     -11.526731      4.056746      2.882616
  N     -11.578306      3.166290      1.914174
  C     -10.498144      2.363350      1.802258
  C     -10.489726      1.350073      0.824191
  C      -9.390471      0.547318      0.717528
  C      -8.302866      0.748143      1.598804
  N      -8.275972      1.666803      2.532621
  C      -9.344057      2.471245      2.636381
  H      -2.918999     -1.849693      4.515793
  H      -3.861988     -0.717342      3.540897
  H      -0.846247     -0.594128      3.410602
  H      -1.684083     -1.855066      2.515651
  H      -1.263436      0.259907      1.163977
  H      -2.437178      1.072628      2.205565
  H      -5.252721     -1.604976      0.177639
  H      -6.800084     -0.659848     -1.478637
  H      -5.185629      3.474510     -2.642521
  H      -3.195605      4.868293     -2.010363
  H      -1.625754      3.931427     -0.368250
  H      -2.513319      5.727675      4.769604
  H      -3.616141      5.360237      6.065739
  H      -5.079629      5.927147      4.412143
  H      -5.074611      4.176973      4.257865
  H      -3.259084      4.443071      2.458529
  H      -3.689198      6.165783      2.417354
  H      -5.641223      7.259085      2.856004
  H      -7.783290      8.403033      2.569742
  H     -10.375486      5.859485     -0.207320
  H      -9.963084      3.743529     -1.511850
  H      -7.791719      2.547192     -1.228507
  H      -7.152921      1.495738      6.890068
  H      -6.713843      1.879223      5.214837
  H      -6.213367      4.270160      6.032010
  H      -7.068401      3.868348      7.520720
  H      -8.533071      5.028803      5.871612
  H      -9.164444      3.391230      6.263680
  H     -10.530346      5.000689      4.564882
  H     -12.391753      4.699510      2.970940
  H     -11.360573      1.238632      0.176178
  H      -9.339399     -0.233299     -0.034649
  H      -7.411798      0.134495      1.531945
  N      -4.545521      1.858605      3.720127
  N      -5.108511      1.670380      2.638248
  H      -5.469888      2.494667      2.183486
101
Coordinates from ORCA-job orca E -6484.305971454185
  N      -2.674393      0.148976      5.056144
  Mo     -3.615717      1.892206      5.263759
  N      -5.122239      1.960062      6.543202
  C      -4.807691      2.033771      7.972764
  C      -3.476764      1.341790      8.248121
  N      -2.466889      1.776239      7.251444
  C      -1.386522      0.776779      7.061200
  C      -1.875546     -0.363855      6.185722
  C      -1.923222      3.128624      7.520449
  C      -1.527227      3.744464      6.175369
  N      -2.665628      3.684802      5.251227
  H      -0.976819     -0.928891      5.826737
  H      -2.475286     -1.094248      6.788164
  H      -0.555776      1.288669      6.550853
  H      -1.011764      0.407999      8.037153
  H      -1.194153      4.787773      6.324820
  H      -0.654896      3.202938      5.755891
  H      -2.728398      3.737837      7.971647
  H      -1.081948      3.072823      8.242529
  H      -5.594383      1.532886      8.571831
  H      -4.775594      3.085262      8.325916
  H      -3.605048      0.255989      8.126653
  H      -3.125280      1.534469      9.279586
  C      -2.894237     -0.880250      4.035697
  C      -1.804957     -0.884471      2.950964
  C      -2.102531      0.088281      1.823927
  O      -3.182759     -0.521330      1.074002
  C      -3.952006      0.110697      0.167953
  C      -5.058791     -0.612553     -0.268671
  C      -5.927013     -0.062531     -1.217371
  N      -5.788250      1.141192     -1.774614
  C      -4.703490      1.862264     -1.380433
  C      -4.499609      3.146975     -1.955723
  C      -3.388979      3.886177     -1.602186
  C      -2.476177      3.334665     -0.662465
  N      -2.629828      2.149197     -0.088454
  C      -3.728555      1.406380     -0.420464
  C      -3.261852      5.013397      5.066155
  C      -4.440256      5.076716      4.102458
  C      -4.006657      5.152908      2.648670
  O      -5.066713      4.790937      1.727942
  C      -6.169104      5.566116      1.644396
  C      -6.358510      6.803820      2.252882
  C      -7.607034      7.462676      2.109084
  N      -8.642427      7.010687      1.410795
  C      -8.447831      5.824354      0.751648
  C      -9.487066      5.313608     -0.070088
  C      -9.263716      4.153053     -0.788832
  C      -8.013352      3.479300     -0.657378
  N      -7.037492      3.891725      0.138467
  C      -7.233351      5.053764      0.824122
  C      -6.540015      2.165701      6.250249
  C      -6.994753      3.639732      6.441947
  C      -8.320188      3.955391      5.777583
  O      -8.202574      3.522327      4.375494
  C      -9.328507      3.432715      3.642281
  C     -10.474307      4.201171      3.811095
  C     -11.573939      4.009462      2.933410
  N     -11.629145      3.119115      1.962261
  C     -10.516327      2.328136      1.807726
  C     -10.510939      1.321452      0.818540
  C      -9.377759      0.529196      0.666495
  C      -8.252498      0.737042      1.510532
  N      -8.224525      1.652477      2.456969
  C      -9.327723      2.445217      2.607617
  H      -2.937104     -1.871899      4.528924
  H      -3.864703     -0.727856      3.552658
  H      -0.844053     -0.623908      3.404045
  H      -1.695661     -1.883305      2.517821
  H      -1.253940      0.230159      1.158349
  H      -2.418837      1.060076      2.196867
  H      -5.245139     -1.604645      0.155374
  H      -6.795397     -0.645483     -1.531982
  H      -5.244119      3.512801     -2.673405
  H      -3.205355      4.877065     -2.030777
  H      -1.576384      3.899073     -0.374206
  H      -2.484186      5.736954      4.727900
  H      -3.614264      5.396928      6.053167
  H      -5.050981      5.949796      4.368008
  H      -5.072106      4.187978      4.232352
  H      -3.219669      4.410340      2.444375
  H      -3.623771      6.155959      2.390590
  H      -5.573983      7.277178      2.843390
  H      -7.750313      8.425985      2.617372
  H     -10.439584      5.862879     -0.116443
  H     -10.037478      3.740317     -1.441082
  H      -7.806024      2.559834     -1.225276
  H      -7.166501      1.499915      6.894453
  H      -6.711290      1.878725      5.202059
  H      -6.218959      4.298491      6.013087
  H      -7.083304      3.903543      7.515928
  H      -8.535424      5.062276      5.838209
  H      -9.162533      3.389852      6.259797
  H     -10.535869      4.961639      4.583101
  H     -12.466236      4.642432      3.053928
  H     -11.406225      1.208669      0.192791
  H      -9.332792     -0.245079     -0.093608
  H      -7.330895      0.133838      1.399890
  N      -4.534327      1.871925      3.713261
  N      -5.089549      1.685878      2.622756
  H      -5.439301      2.557625      2.174356
101
Coordinates from ORCA-job orca E -6484.305350784090
  N      -2.664381      0.145384      5.056083
  Mo     -3.627208      1.881878      5.254956
  N      -5.116105      1.942053      6.547662
  C      -4.785195      2.028742      7.973321
  C      -3.446363      1.358075      8.237778
  N      -2.456502      1.797662      7.227971
  C      -1.370035      0.813362      7.026790
  C      -1.854317     -0.341985      6.161893
  C      -1.921519      3.161701      7.479449
  C      -1.550406      3.765469      6.128669
  N      -2.692150      3.681797      5.218428
  H      -0.973767     -0.887260      5.789613
  H      -2.423701     -1.072487      6.762250
  H      -0.559532      1.335879      6.505915
  H      -0.976408      0.456874      7.995063
  H      -1.225065      4.814262      6.267832
  H      -0.683403      3.230511      5.704405
  H      -2.719050      3.765881      7.933904
  H      -1.074514      3.124748      8.187503
  H      -5.557641      1.523335      8.581948
  H      -4.759035      3.082777      8.321333
  H      -3.564157      0.269517      8.123114
  H      -3.083986      1.562319      9.264126
  C      -2.869748     -0.897455      4.050852
  C      -1.767198     -0.894295      2.970913
  C      -2.072959      0.082841      1.843995
  O      -3.144899     -0.537893      1.081213
  C      -3.905669      0.117560      0.187544
  C      -5.032176     -0.559610     -0.262847
  C      -5.895536      0.031268     -1.200560
  N      -5.724997      1.223745     -1.734561
  C      -4.617850      1.895911     -1.328366
  C      -4.373744      3.165811     -1.880285
  C      -3.250665      3.858940     -1.513805
  C      -2.362766      3.275069     -0.584219
  N      -2.550068      2.101333     -0.031211
  C      -3.657032      1.403376     -0.376811
  C      -3.289705      5.005606      5.021557
  C      -4.483807      5.045138      4.070155
  C      -4.063170      5.093163      2.605354
  O      -5.124046      4.709283      1.699947
  C      -6.218494      5.484796      1.606047
  C      -6.401208      6.720363      2.209476
  C      -7.628913      7.391025      2.038964
  N      -8.652908      6.950128      1.322370
  C      -8.469765      5.760349      0.676344
  C      -9.496338      5.256324     -0.160372
  C      -9.287781      4.089759     -0.854635
  C      -8.062868      3.409180     -0.693119
  N      -7.091477      3.820564      0.107195
  C      -7.276546      4.981666      0.776225
  C      -6.531319      2.125982      6.268153
  C      -7.000777      3.575930      6.477198
  C      -8.344840      3.889253      5.841610
  O      -8.259488      3.522394      4.478893
  C      -9.383441      3.466220      3.746647
  C     -10.524571      4.241375      3.956737
  C     -11.606989      4.101836      3.063111
  N     -11.649809      3.253648      2.032479
  C     -10.545958      2.452294      1.836479
  C     -10.536263      1.488454      0.781945
  C      -9.427629      0.679252      0.595976
  C      -8.323767      0.829539      1.468703
  N      -8.293024      1.709702      2.472912
  C      -9.377746      2.517917      2.656012
  H      -2.897480     -1.886194      4.545732
  H      -3.848799     -0.757256      3.568137
  H      -0.798538     -0.613606      3.428057
  H      -1.637447     -1.909463      2.540175
  H      -1.198840      0.248333      1.179028
  H      -2.415132      1.062692      2.224621
  H      -5.244642     -1.539446      0.141062
  H      -6.783834     -0.512889     -1.524491
  H      -5.100303      3.559274     -2.591180
  H      -3.035517      4.836811     -1.923561
  H      -1.455693      3.804625     -0.288927
  H      -2.513707      5.725934      4.658614
  H      -3.626838      5.408608      6.011915
  H      -5.096231      5.922191      4.328223
  H      -5.114452      4.150877      4.224359
  H      -3.277722      4.351554      2.407601
  H      -3.682333      6.093718      2.321463
  H      -5.623567      7.181342      2.817655
  H      -7.766078      8.354945      2.540566
  H     -10.424088      5.816572     -0.235938
  H     -10.052124      3.679707     -1.516171
  H      -7.863728      2.489527     -1.244449
  H      -7.132477      1.457398      6.911334
  H      -6.715004      1.835351      5.225477
  H      -6.245280      4.248602      6.053105
  H      -7.071656      3.811509      7.545957
  H      -8.573182      4.945238      5.927685
  H      -9.155883      3.328363      6.287816
  H     -10.590510      4.970308      4.772552
  H     -12.492642      4.742711      3.214239
  H     -11.416458      1.418886      0.141060
  H      -9.388193     -0.066057     -0.212224
  H      -7.427738      0.208456      1.339433
  N      -4.564644      1.831358      3.713399
  N      -5.130662      1.619632      2.624934
  H      -5.509358      2.502357      2.172408
101
Coordinates from ORCA-job orca E -6484.304010178850
  N      -2.686800      0.154543      5.053607
  Mo     -3.636500      1.894567      5.266788
  N      -5.124262      1.952903      6.562120
  C      -4.789915      2.027372      7.983379
  C      -3.457985      1.338893      8.236893
  N      -2.463486      1.775120      7.229224
  C      -1.385549      0.785608      7.018900
  C      -1.882460     -0.351592      6.146534
  C      -1.916976      3.130341      7.489819
  C      -1.539641      3.748088      6.151977
  N      -2.683175      3.683539      5.237685
  H      -1.010088     -0.894073      5.769971
  H      -2.460237     -1.085494      6.736077
  H      -0.569794      1.305785      6.502022
  H      -0.995239      0.415636      7.980773
  H      -1.206327      4.789253      6.303607
  H      -0.675845      3.214624      5.726687
  H      -2.708461      3.729052      7.947503
  H      -1.071356      3.081427      8.193756
  H      -5.567348      1.524799      8.590512
  H      -4.751632      3.077002      8.338073
  H      -3.589859      0.253841      8.114827
  H      -3.090786      1.529741      9.260509
  C      -2.893329     -0.880592      4.039574
  C      -1.785108     -0.872077      2.963602
  C      -2.066794      0.104182      1.841160
  O      -3.125180     -0.503189      1.073509
  C      -3.887824      0.132059      0.176656
  C      -5.020052     -0.574209     -0.262615
  C      -5.915278     -0.000395     -1.199096
  N      -5.776211      1.207341     -1.740337
  C      -4.661384      1.909521     -1.344429
  C      -4.463579      3.203900     -1.897920
  C      -3.344686      3.928564     -1.538206
  C      -2.410629      3.353899     -0.614852
  N      -2.551039      2.156556     -0.060956
  C      -3.662137      1.429879     -0.397342
  C      -3.266571      5.007928      5.041224
  C      -4.457114      5.057973      4.088451
  C      -4.039097      5.106287      2.622918
  O      -5.101655      4.728878      1.719243
  C      -6.187320      5.510631      1.619148
  C      -6.356079      6.751625      2.210420
  C      -7.574856      7.429041      2.038021
  N      -8.601059      6.992858      1.327065
  C      -8.430701      5.800044      0.687251
  C      -9.462574      5.302377     -0.145843
  C      -9.269245      4.134646     -0.837235
  C      -8.059911      3.443840     -0.671701
  N      -7.084088      3.846662      0.127914
  C      -7.250131      5.012410      0.791885
  C      -6.540122      2.151536      6.285597
  C      -6.990962      3.620040      6.465650
  C      -8.338450      3.932050      5.823519
  O      -8.268539      3.496657      4.446466
  C      -9.387464      3.421450      3.707693
  C     -10.495901      4.206908      3.851572
  C     -11.549062      4.045154      2.935410
  N     -11.593281      3.170058      1.941595
  C     -10.524144      2.359983      1.813604
  C     -10.509864      1.368735      0.800159
  C      -9.433995      0.558036      0.683154
  C      -8.364300      0.731743      1.580154
  N      -8.335578      1.635972      2.542493
  C      -9.389667      2.445756      2.659839
  H      -2.926698     -1.872763      4.529306
  H      -3.868437     -0.735667      3.552167
  H      -0.826578     -0.601742      3.436345
  H      -1.657991     -1.876520      2.520556
  H      -1.205067      0.267532      1.181672
  H      -2.398070      1.067995      2.226257
  H      -5.216567     -1.563326      0.151948
  H      -6.818611     -0.564747     -1.510132
  H      -5.223347      3.590320     -2.602330
  H      -3.169399      4.927752     -1.946582
  H      -1.506537      3.910434     -0.324208
  H      -2.487244      5.716059      4.687428
  H      -3.602849      5.406859      6.020942
  H      -5.066582      5.935125      4.349028
  H      -5.087638      4.167783      4.240198
  H      -3.258832      4.360080      2.421673
  H      -3.652718      6.104007      2.338700
  H      -5.573154      7.212209      2.809809
  H      -7.701637      8.395990      2.531590
  H     -10.384666      5.868180     -0.219071
  H     -10.039453      3.730159     -1.496921
  H      -7.877738      2.521742     -1.216635
  H      -7.149878      1.498159      6.941180
  H      -6.726478      1.848956      5.248455
  H      -6.221454      4.278376      6.013528
  H      -7.056211      3.888917      7.539723
  H      -8.535953      5.013044      5.873003
  H      -9.173010      3.394387      6.316232
  H     -10.556707      4.964330      4.630582
  H     -12.403570      4.693941      3.031060
  H     -11.362239      1.282147      0.137808
  H      -9.388469     -0.207691     -0.093290
  H      -7.488901      0.114439      1.503456
  N      -4.573584      1.835923      3.726117
  N      -5.141669      1.626164      2.640965
  H      -5.516557      2.455956      2.177676
101
Coordinates from ORCA-job orca E -6484.305108824196
  N      -2.675473      0.167222      5.053949
  Mo     -3.613549      1.910663      5.272945
  N      -5.121978      1.962664      6.549167
  C      -4.807380      2.022034      7.974935
  C      -3.477255      1.326212      8.243185
  N      -2.465387      1.767454      7.254096
  C      -1.385370      0.772169      7.055651
  C      -1.877326     -0.354125      6.170242
  C      -1.922079      3.112678      7.535679
  C      -1.524211      3.744435      6.206286
  N      -2.661258      3.696311      5.271904
  H      -0.985229     -0.910148      5.804745
  H      -2.475774     -1.090358      6.760531
  H      -0.553515      1.288441      6.551645
  H      -1.011900      0.393375      8.026262
  H      -1.193455      4.779422      6.373044
  H      -0.649430      3.212730      5.788065
  H      -2.726324      3.709228      7.989629
  H      -1.081710      3.052087      8.256703
  H      -5.595318      1.516227      8.566230
  H      -4.773695      3.065891      8.338664
  H      -3.608042      0.245335      8.110150
  H      -3.125196      1.506441      9.273455
  C      -2.887309     -0.858384      4.029943
  C      -1.780465     -0.854828      2.956622
  C      -2.074581      0.114281      1.833936
  O      -3.148605     -0.534080      1.060614
  C      -3.929052      0.070814      0.162418
  C      -5.008201     -0.696533     -0.244541
  C      -5.894684     -0.179322     -1.176792
  N      -5.801444      1.036884     -1.745383
  C      -4.740939      1.802335     -1.381188
  C      -4.583817      3.101092     -1.967108
  C      -3.511923      3.888707     -1.639539
  C      -2.590084      3.374958     -0.718648
  N      -2.690096      2.172491     -0.136731
  C      -3.754847      1.381905     -0.440151
  C      -3.246950      5.019196      5.079559
  C      -4.419861      5.081559      4.113443
  C      -3.985909      5.161032      2.661680
  O      -5.038671      4.801192      1.740300
  C      -6.136892      5.576696      1.648154
  C      -6.332967      6.810976      2.260045
  C      -7.573884      7.475511      2.104396
  N      -8.598067      7.031995      1.394565
  C      -8.399849      5.846685      0.733123
  C      -9.431491      5.341306     -0.096688
  C      -9.208275      4.181648     -0.816307
  C      -7.964671      3.502230     -0.677890
  N      -6.995579      3.909807      0.126000
  C      -7.191616      5.071412      0.813799
  C      -6.538988      2.166441      6.252482
  C      -6.993174      3.625304      6.444612
  C      -8.334896      3.935587      5.792217
  O      -8.247565      3.501786      4.399335
  C      -9.376750      3.426100      3.661008
  C     -10.522803      4.191172      3.830662
  C     -11.604371      4.017842      2.931473
  N     -11.642895      3.148244      1.939315
  C     -10.534941      2.357172      1.789924
  C     -10.511156      1.365211      0.785042
  C      -9.383895      0.571594      0.641782
  C      -8.285740      0.766037      1.511244
  N      -8.270787      1.668151      2.466880
  C      -9.366469      2.458588      2.609262
  H      -2.930959     -1.845581      4.521739
  H      -3.857581     -0.711403      3.534288
  H      -0.820645     -0.580565      3.427490
  H      -1.653623     -1.856781      2.514436
  H      -1.204154      0.277027      1.178474
  H      -2.421872      1.093650      2.222883
  H      -5.160416     -1.698968      0.194085
  H      -6.751078     -0.794806     -1.464249
  H      -5.332087      3.436699     -2.669461
  H      -3.368602      4.893091     -2.074377
  H      -1.721490      3.979404     -0.450753
  H      -2.473306      5.731258      4.748479
  H      -3.597152      5.399645      6.052652
  H      -5.035542      5.947693      4.377730
  H      -5.043009      4.192905      4.240227
  H      -3.200742      4.422692      2.458544
  H      -3.606412      6.160205      2.402265
  H      -5.559683      7.276538      2.863536
  H      -7.721526      8.436618      2.614645
  H     -10.381655      5.892805     -0.146000
  H      -9.979827      3.774432     -1.474396
  H      -7.756496      2.582402     -1.245520
  H      -7.158991      1.504070      6.889098
  H      -6.713717      1.882822      5.212188
  H      -6.223266      4.281175      6.015261
  H      -7.071438      3.882769      7.512581
  H      -8.545916      5.024808      5.849113
  H      -9.173084      3.382279      6.281158
  H     -10.593984      4.936879      4.617880
  H     -12.493648      4.649772      3.051017
  H     -11.386764      1.261794      0.142627
  H      -9.322885     -0.194200     -0.129937
  H      -7.371201      0.162175      1.411926
  N      -4.528555      1.876304      3.726798
  N      -5.081535      1.684160      2.640351
  H      -5.444320      2.529258      2.197079
101
Coordinates from ORCA-job orca E -6484.304634146431
  N      -2.663499      0.155119      5.053039
  Mo     -3.614303      1.896453      5.254907
  N      -5.112404      1.951868      6.537816
  C      -4.793503      2.028933      7.966060
  C      -3.457973      1.349730      8.237114
  N      -2.458395      1.789536      7.237586
  C      -1.373378      0.799095      7.046925
  C      -1.859357     -0.347672      6.175401
  C      -1.924056      3.148152      7.500893
  C      -1.537600      3.761298      6.158065
  N      -2.671620      3.686797      5.229661
  H      -0.966600     -0.909736      5.809089
  H      -2.447505     -1.077553      6.778874
  H      -0.549500      1.315371      6.535088
  H      -0.994289      0.436370      8.022786
  H      -1.215938      4.804663      6.312015
  H      -0.663621      3.230536      5.740504
  H      -2.730111      3.752355      7.949930
  H      -1.081985      3.105681      8.222810
  H      -5.572813      1.523239      8.565155
  H      -4.766445      3.079242      8.320158
  H      -3.579304      0.264253      8.114649
  H      -3.101989      1.545514      9.267008
  C      -2.871498     -0.879263      4.043029
  C      -1.782848     -0.886590      2.971872
  C      -2.087450      0.089156      1.841709
  O      -3.155571     -0.511762      1.089338
  C      -3.930813      0.145736      0.194512
  C      -5.075673     -0.531738     -0.252832
  C      -5.932596      0.042689     -1.190843
  N      -5.747974      1.223831     -1.730456
  C      -4.629465      1.902309     -1.326154
  C      -4.375511      3.163516     -1.879984
  C      -3.233021      3.859511     -1.515634
  C      -2.342678      3.292606     -0.586479
  N      -2.543622      2.129165     -0.031622
  C      -3.669047      1.425171     -0.374415
  C      -3.260815      5.008398      5.018039
  C      -4.446252      5.052321      4.058733
  C      -4.030395      5.115169      2.597373
  O      -5.098421      4.740202      1.694817
  C      -6.193826      5.518108      1.610847
  C      -6.374928      6.754028      2.215786
  C      -7.610274      7.420757      2.064113
  N      -8.643823      6.976369      1.366760
  C      -8.462391      5.788273      0.717599
  C      -9.502909      5.281175     -0.098186
  C      -9.299355      4.113929     -0.799531
  C      -8.061308      3.436229     -0.665387
  N      -7.075191      3.850169      0.114721
  C      -7.259350      5.012590      0.793528
  C      -6.527687      2.145844      6.241638
  C      -6.993402      3.604384      6.428578
  C      -8.323684      3.911630      5.773930
  O      -8.226169      3.499008      4.402891
  C      -9.363366      3.431034      3.685943
  C     -10.514342      4.196391      3.901417
  C     -11.627513      4.033445      3.033193
  N     -11.693838      3.171525      2.031455
  C     -10.579093      2.381204      1.832910
  C     -10.594220      1.399965      0.814794
  C      -9.463599      0.603270      0.620757
  C      -8.319819      0.785954      1.450811
  N      -8.271367      1.678550      2.422972
  C      -9.373581      2.472837      2.616188
  H      -2.906780     -1.867299      4.538067
  H      -3.843320     -0.729781      3.559458
  H      -0.821592     -0.623036      3.426915
  H      -1.666691     -1.886512      2.551511
  H      -1.245944      0.237798      1.185285
  H      -2.408005      1.053313      2.203355
  H      -5.298814     -1.506269      0.155738
  H      -6.831068     -0.501507     -1.512161
  H      -5.107233      3.546612     -2.589941
  H      -3.011765      4.831320     -1.926708
  H      -1.421777      3.822975     -0.290848
  H      -2.486098      5.720657      4.664104
  H      -3.601032      5.408905      5.997509
  H      -5.061720      5.921197      4.317660
  H      -5.068906      4.160254      4.204230
  H      -3.245333      4.378917      2.388997
  H      -3.656013      6.113017      2.324835
  H      -5.592795      7.218843      2.810762
  H      -7.744638      8.383566      2.566295
  H     -10.440355      5.837008     -0.152677
  H     -10.073536      3.702152     -1.445205
  H      -7.865463      2.515404     -1.225413
  H      -7.144460      1.483525      6.886280
  H      -6.700098      1.851147      5.197120
  H      -6.234129      4.265362      6.006507
  H      -7.078445      3.855708      7.490761
  H      -8.551822      4.991159      5.829016
  H      -9.143182      3.357008      6.241855
  H     -10.567150      4.931579      4.704040
  H     -12.522797      4.665486      3.190142
  H     -11.506063      1.304633      0.203474
  H      -9.439399     -0.152962     -0.159950
  H      -7.403823      0.178781      1.308142
  N      -4.545892      1.848247      3.713785
  N      -5.105108      1.635847      2.626531
  H      -5.487060      2.510811      2.180157
101
Coordinates from ORCA-job orca E -6484.305791388936
  N      -2.679566      0.141645      5.062914
  Mo     -3.634430      1.882184      5.271286
  N      -5.119625      1.942872      6.568887
  C      -4.785430      2.028890      7.993302
  C      -3.450184      1.348613      8.252235
  N      -2.460263      1.784190      7.239133
  C      -1.378486      0.795197      7.034987
  C      -1.868729     -0.354676      6.165848
  C      -1.920256      3.147364      7.490253
  C      -1.547399      3.753672      6.140196
  N      -2.691048      3.676028      5.232329
  H      -0.988835     -0.901071      5.788897
  H      -2.440858     -1.087473      6.763463
  H      -0.564824      1.315268      6.515064
  H      -0.987142      0.434297      8.002299
  H      -1.218943      4.802691      6.282874
  H      -0.681747      3.217630      5.713240
  H      -2.715964      3.753561      7.946128
  H      -1.072593      3.107158      8.196458
  H      -5.560125      1.527664      8.604831
  H      -4.751376      3.083763      8.341513
  H      -3.575818      0.259994      8.136837
  H      -3.082816      1.549407      9.277352
  C      -2.886324     -0.894640      4.042272
  C      -1.777199     -0.888652      2.962810
  C      -2.069886      0.091782      1.835009
  O      -3.133430     -0.537258      1.058258
  C      -3.897288      0.120491      0.170525
  C      -5.011248     -0.556691     -0.280878
  C      -5.888261      0.048769     -1.204878
  N      -5.743085      1.257410     -1.723766
  C      -4.646113      1.927599     -1.317518
  C      -4.436433      3.219630     -1.849577
  C      -3.325991      3.912213     -1.483085
  C      -2.410094      3.301528     -0.577106
  N      -2.567273      2.108179     -0.039724
  C      -3.668143      1.416486     -0.382336
  C      -3.270627      5.006941      5.020502
  C      -4.473538      5.050092      4.076924
  C      -4.061428      5.084210      2.608183
  O      -5.130718      4.708069      1.706313
  C      -6.211615      5.498297      1.598190
  C      -6.376939      6.743108      2.182941
  C      -7.593190      7.423703      2.003545
  N      -8.621621      6.985478      1.293603
  C      -8.454696      5.788060      0.663069
  C      -9.487265      5.284811     -0.164074
  C      -9.298657      4.108823     -0.841471
  C      -8.086880      3.420226     -0.674819
  N      -7.108782      3.830619      0.116239
  C      -7.274969      4.999465      0.772382
  C      -6.535790      2.136005      6.290786
  C      -6.986420      3.610596      6.464635
  C      -8.328115      3.922773      5.825220
  O      -8.244354      3.480358      4.458021
  C      -9.361618      3.417711      3.724495
  C     -10.480001      4.202355      3.907279
  C     -11.553868      4.060183      3.007574
  N     -11.608076      3.203781      1.993555
  C     -10.525640      2.393805      1.823122
  C     -10.523876      1.425021      0.780305
  C      -9.433565      0.609808      0.615402
  C      -8.339254      0.759097      1.496907
  N      -8.299853      1.645061      2.488912
  C      -9.367538      2.459263      2.651649
  H      -2.924734     -1.890638      4.531586
  H      -3.859489     -0.745810      3.554960
  H      -0.814583     -0.615370      3.424655
  H      -1.649567     -1.899514      2.528548
  H      -1.185525      0.261440      1.178334
  H      -2.420721      1.072259      2.217213
  H      -5.208125     -1.545817      0.114692
  H      -6.770716     -0.493011     -1.526337
  H      -5.182109      3.631373     -2.544361
  H      -3.137877      4.909043     -1.876305
  H      -1.506480      3.827140     -0.288070
  H      -2.482949      5.712486      4.642544
  H      -3.597303      5.430022      6.009045
  H      -5.077923      5.934845      4.334407
  H      -5.111150      4.160373      4.242154
  H      -3.285288      4.329053      2.413193
  H      -3.666329      6.080413      2.317849
  H      -5.593985      7.203560      2.784351
  H      -7.716370      8.394796      2.490879
  H     -10.405603      5.852256     -0.243681
  H     -10.069817      3.697768     -1.491936
  H      -7.903075      2.493568     -1.214112
  H      -7.148473      1.484391      6.953897
  H      -6.720456      1.823187      5.251421
  H      -6.216763      4.268275      6.007885
  H      -7.052503      3.885737      7.539481
  H      -8.528533      5.010382      5.865978
  H      -9.160561      3.389857      6.316636
  H     -10.534351      4.942378      4.706566
  H     -12.419800      4.709317      3.136520
  H     -11.394710      1.358341      0.129389
  H      -9.397343     -0.138567     -0.185417
  H      -7.455241      0.133792      1.381054
  N      -4.578590      1.834273      3.734375
  N      -5.146905      1.615198      2.648718
  H      -5.533116      2.489974      2.198056
101
Coordinates from ORCA-job orca E -6484.304651211974
  N      -2.680035      0.171420      5.062482
  Mo     -3.622853      1.912811      5.278879
  N      -5.124186      1.958028      6.564110
  C      -4.802756      2.023924      7.988633
  C      -3.468415      1.335012      8.249786
  N      -2.463954      1.776453      7.250776
  C      -1.383072      0.785481      7.043789
  C      -1.876845     -0.344865      6.163028
  C      -1.920595      3.127038      7.523513
  C      -1.527916      3.753643      6.189669
  N      -2.665768      3.698258      5.262660
  H      -0.997493     -0.891940      5.788526
  H      -2.463597     -1.081484      6.753176
  H      -0.560449      1.306036      6.533203
  H      -1.000609      0.409805      8.008505
  H      -1.197539      4.794674      6.350187
  H      -0.655276      3.221012      5.769287
  H      -2.719902      3.723510      7.978088
  H      -1.080127      3.071977      8.236434
  H      -5.584305      1.514530      8.586123
  H      -4.773318      3.070393      8.350603
  H      -3.597538      0.251271      8.120477
  H      -3.109775      1.519216      9.277377
  C      -2.892949     -0.857510      4.049443
  C      -1.784725     -0.848981      2.972911
  C      -2.068823      0.117569      1.849633
  O      -3.126597     -0.512119      1.073042
  C      -3.907850      0.090439      0.177674
  C      -5.002521     -0.681383     -0.234521
  C      -5.903045     -0.167127     -1.180918
  N      -5.804651      1.048574     -1.755890
  C      -4.725839      1.816884     -1.386172
  C      -4.560294      3.112611     -1.982262
  C      -3.473295      3.902653     -1.652559
  C      -2.542213      3.394334     -0.715864
  N      -2.646986      2.192991     -0.122539
  C      -3.726145      1.400240     -0.430263
  C      -3.233956      5.028730      5.054036
  C      -4.415260      5.081159      4.097699
  C      -3.983652      5.131584      2.639784
  O      -5.043922      4.765892      1.728787
  C      -6.134287      5.552195      1.637348
  C      -6.314998      6.787158      2.255903
  C      -7.548403      7.467183      2.101194
  N      -8.579698      7.036795      1.385716
  C      -8.395445      5.849036      0.718355
  C      -9.430861      5.354528     -0.118092
  C      -9.217113      4.193988     -0.841262
  C      -7.982348      3.503721     -0.701643
  N      -7.010961      3.902148      0.108107
  C      -7.196326      5.061688      0.798863
  C      -6.539828      2.145309      6.272903
  C      -7.010295      3.590558      6.461813
  C      -8.364023      3.888036      5.819225
  O      -8.296997      3.473156      4.451895
  C      -9.407578      3.413036      3.698773
  C     -10.540948      4.180388      3.867324
  C     -11.597134      4.025422      2.951536
  N     -11.624703      3.168697      1.939748
  C     -10.532666      2.372337      1.790880
  C     -10.505934      1.390781      0.767969
  C      -9.407733      0.591873      0.631310
  C      -8.332637      0.768867      1.519028
  N      -8.317174      1.663089      2.491731
  C      -9.390797      2.458337      2.629342
  H      -2.928642     -1.844898      4.541475
  H      -3.867408     -0.711556      3.561398
  H      -0.825258     -0.572857      3.448117
  H      -1.653490     -1.855389      2.528472
  H      -1.200994      0.282709      1.195389
  H      -2.409801      1.084861      2.235142
  H      -5.159171     -1.683404      0.207508
  H      -6.769593     -0.790174     -1.473904
  H      -5.312832      3.443113     -2.695376
  H      -3.322940      4.904634     -2.094531
  H      -1.665423      4.004686     -0.446457
  H      -2.446723      5.727035      4.698356
  H      -3.572855      5.439240      6.028448
  H      -5.025901      5.957912      4.354818
  H      -5.047363      4.193736      4.243200
  H      -3.204209      4.380432      2.441931
  H      -3.592567      6.128444      2.361509
  H      -5.533912      7.239766      2.867455
  H      -7.684726      8.430101      2.617259
  H     -10.373117      5.916878     -0.169394
  H      -9.991008      3.794673     -1.505579
  H      -7.780630      2.584262     -1.272069
  H      -7.142663      1.483070      6.912348
  H      -6.719463      1.853444      5.236585
  H      -6.253107      4.255081      6.026942
  H      -7.078820      3.843133      7.528324
  H      -8.584027      4.947108      5.874692
  H      -9.181210      3.340114      6.298424
  H     -10.621198      4.916562      4.668272
  H     -12.475547      4.659677      3.070228
  H     -11.364259      1.301942      0.113676
  H      -9.349514     -0.168680     -0.152073
  H      -7.441590      0.159147      1.426822
  N      -4.550409      1.862255      3.735455
  N      -5.111997      1.655915      2.649689
  H      -5.492881      2.476161      2.192041
101
Coordinates from ORCA-job orca E -6484.306461011892
  N      -2.675125      0.158726      5.054217
  Mo     -3.622664      1.899769      5.270483
  N      -5.121833      1.948316      6.552572
  C      -4.800476      2.014203      7.976755
  C      -3.468099      1.325355      8.239640
  N      -2.465684      1.768908      7.246191
  C      -1.383908      0.779642      7.045083
  C      -1.874272     -0.351569      6.162342
  C      -1.929551      3.119454      7.523345
  C      -1.543783      3.747862      6.195156
  N      -2.677330      3.685633      5.258640
  H      -0.992132     -0.902423      5.791688
  H      -2.460828     -1.085249      6.751087
  H      -0.559013      1.299117      6.538673
  H      -1.004777      0.405735      8.013855
  H      -1.222584      4.783718      6.363439
  H      -0.669837      3.224783      5.777345
  H      -2.732082      3.711490      7.976999
  H      -1.088199      3.070177      8.241916
  H      -5.582495      1.507802      8.572868
  H      -4.767140      3.059547      8.337806
  H      -3.595813      0.244205      8.107977
  H      -3.110763      1.509664      9.267602
  C      -2.874530     -0.871314      4.028456
  C      -1.763141     -0.857839      2.958914
  C      -2.066912      0.124075      1.837403
  O      -3.130015     -0.521360      1.061398
  C      -3.913809      0.121060      0.172920
  C      -5.035160     -0.601111     -0.259088
  C      -5.912386     -0.054175     -1.190128
  N      -5.768679      1.143525     -1.737873
  C      -4.670130      1.867381     -1.348325
  C      -4.460559      3.147038     -1.909495
  C      -3.344960      3.888915     -1.558102
  C      -2.436097      3.351538     -0.636646
  N      -2.592773      2.170024     -0.075240
  C      -3.694782      1.419841     -0.403466
  C      -3.261226      5.002836      5.042397
  C      -4.437112      5.049953      4.075350
  C      -4.016735      5.131536      2.620531
  O      -5.072209      4.764962      1.708549
  C      -6.161557      5.543492      1.609575
  C      -6.343715      6.782509      2.200965
  C      -7.573428      7.448835      2.037199
  N      -8.602110      7.000890      1.343143
  C      -8.421324      5.808661      0.706915
  C      -9.462232      5.295045     -0.101598
  C      -9.261822      4.124362     -0.790069
  C      -8.025533      3.451231     -0.653090
  N      -7.040317      3.870084      0.121994
  C      -7.222059      5.035051      0.791291
  C      -6.538636      2.159800      6.262842
  C      -6.974738      3.636319      6.436274
  C      -8.312537      3.952234      5.787547
  O      -8.231634      3.477217      4.398532
  C      -9.376911      3.417130      3.677660
  C     -10.520444      4.184730      3.876570
  C     -11.626762      4.019709      2.999891
  N     -11.690487      3.155752      2.003239
  C     -10.582897      2.364718      1.823360
  C     -10.585897      1.381100      0.811215
  C      -9.458078      0.589715      0.634736
  C      -8.332258      0.777059      1.478387
  N      -8.294039      1.669730      2.442561
  C      -9.390348      2.458282      2.617072
  H      -2.913377     -1.865268      4.514089
  H      -3.846427     -0.725105      3.535490
  H      -0.799512     -0.575591      3.426231
  H      -1.625104     -1.866928      2.524128
  H      -1.191822      0.300384      1.187200
  H      -2.425025      1.101788      2.219651
  H      -5.225892     -1.589320      0.158897
  H      -6.799735     -0.632900     -1.496602
  H      -5.205355      3.506967     -2.611614
  H      -3.160546      4.875553     -1.972958
  H      -1.536858      3.919016     -0.350043
  H      -2.492698      5.708473      4.701868
  H      -3.604022      5.394170      6.009141
  H      -5.060748      5.907692      4.335786
  H      -5.048060      4.157316      4.207612
  H      -3.230833      4.403483      2.411777
  H      -3.648895      6.128040      2.358226
  H      -5.566548      7.250479      2.793618
  H      -7.707779      8.414495      2.527168
  H     -10.400289      5.848601     -0.158536
  H     -10.040476      3.706930     -1.427947
  H      -7.831323      2.528903     -1.201792
  H      -7.165341      1.509934      6.915342
  H      -6.719037      1.862922      5.225116
  H      -6.195992      4.279204      5.989088
  H      -7.049616      3.916364      7.503714
  H      -8.505795      5.057623      5.820502
  H      -9.161968      3.419765      6.301345
  H     -10.573260      4.923795      4.672263
  H     -12.515932      4.652127      3.143532
  H     -11.482647      1.284005      0.188733
  H      -9.418369     -0.168160     -0.144274
  H      -7.417604      0.174763      1.350893
  N      -4.546216      1.853516      3.730200
  N      -5.101956      1.644158      2.645229
  H      -5.488753      2.487606      2.201368
101
Coordinates from ORCA-job orca E -6484.305375495724
  N      -2.668743      0.150910      5.061024
  Mo     -3.617305      1.893938      5.265246
  N      -5.110723      1.947850      6.555442
  C      -4.786888      2.030130      7.982343
  C      -3.450401      1.352499      8.249335
  N      -2.455186      1.791167      7.243432
  C      -1.371219      0.798790      7.051281
  C      -1.859201     -0.352063      6.182308
  C      -1.921310      3.152752      7.500258
  C      -1.538855      3.763785      6.153627
  N      -2.676861      3.683850      5.232866
  H      -0.963962     -0.914400      5.811661
  H      -2.444873     -1.083977      6.790019
  H      -0.548068      1.314135      6.536306
  H      -0.990418      0.438047      8.027260
  H      -1.219379      4.810502      6.304945
  H      -0.664162      3.234193      5.732953
  H      -2.727350      3.758560      7.950439
  H      -1.076856      3.112973      8.219064
  H      -5.563584      1.525598      8.586510
  H      -4.758999      3.082398      8.333550
  H      -3.571798      0.265616      8.129477
  H      -3.089633      1.550744      9.277796
  C      -2.882575     -0.875832      4.044134
  C      -1.795082     -0.897366      2.978509
  C      -2.078635      0.061554      1.838708
  O      -3.132033     -0.538108      1.065830
  C      -3.899940      0.117001      0.179606
  C      -5.015580     -0.559017     -0.267016
  C      -5.883352      0.039345     -1.187524
  N      -5.735953      1.244629     -1.707903
  C      -4.641745      1.916836     -1.306281
  C      -4.435327      3.208885     -1.839856
  C      -3.322799      3.902561     -1.480058
  C      -2.404524      3.293176     -0.580353
  N      -2.563584      2.102544     -0.039596
  C      -3.666344      1.409396     -0.375929
  C      -3.252444      5.009068      5.006549
  C      -4.450383      5.053027      4.059524
  C      -4.039903      5.097985      2.595048
  O      -5.111650      4.727160      1.694359
  C      -6.195465      5.517729      1.595585
  C      -6.365340      6.760315      2.189688
  C      -7.590066      7.438192      2.026697
  N      -8.623742      6.998648      1.327920
  C      -8.453480      5.803910      0.688556
  C      -9.495508      5.298899     -0.124731
  C      -9.304723      4.124160     -0.814739
  C      -8.077669      3.439010     -0.674634
  N      -7.090862      3.850854      0.104291
  C      -7.262147      5.018392      0.775062
  C      -6.526111      2.139562      6.262544
  C      -6.987736      3.601502      6.433428
  C      -8.324555      3.903404      5.785708
  O      -8.241939      3.461946      4.429444
  C      -9.368535      3.406534      3.705020
  C     -10.507865      4.174921      3.914849
  C     -11.604663      4.027877      3.032179
  N     -11.664575      3.179487      2.018175
  C     -10.561549      2.384776      1.823617
  C     -10.567418      1.417959      0.786361
  C      -9.450373      0.615683      0.595299
  C      -8.325659      0.779547      1.446665
  N      -8.282277      1.661609      2.433895
  C      -9.374053      2.459929      2.624538
  H      -2.933691     -1.859483      4.539514
  H      -3.848553     -0.715704      3.551532
  H      -0.841375     -0.643192      3.438146
  H      -1.688348     -1.889231      2.564421
  H      -1.228988      0.201892      1.197239
  H      -2.401801      1.021256      2.195274
  H      -5.215765     -1.545240      0.130708
  H      -6.764097     -0.502272     -1.506520
  H      -5.187068      3.620737     -2.529823
  H      -3.137047      4.900225     -1.875680
  H      -1.497166      3.816860     -0.297605
  H      -2.468106      5.706834      4.631688
  H      -3.577916      5.432079      5.985369
  H      -5.058548      5.931057      4.317260
  H      -5.080469      4.163584      4.218227
  H      -3.263705      4.346887      2.396687
  H      -3.649583      6.092879      2.311627
  H      -5.582526      7.220877      2.786978
  H      -7.715380      8.406893      2.520384
  H     -10.424296      5.862728     -0.185288
  H     -10.083123      3.712953     -1.454637
  H      -7.890864      2.513446     -1.226634
  H      -7.141993      1.486127      6.916365
  H      -6.701297      1.830495      5.222152
  H      -6.229060      4.256373      5.995130
  H      -7.062596      3.866776      7.495087
  H      -8.542271      4.982274      5.817976
  H      -9.142771      3.368953      6.269700
  H     -10.562330      4.902455      4.721958
  H     -12.486778      4.664160      3.182322
  H     -11.462101      1.338723      0.157410
  H      -9.419540     -0.130763     -0.199812
  H      -7.421171      0.165486      1.308320
  N      -4.556331      1.849726      3.726286
  N      -5.118319      1.628224      2.641721
  H      -5.514264      2.509444      2.200099
101
Coordinates from ORCA-job orca E -6484.306127095300
  N      -2.691238      0.150755      5.074871
  Mo     -3.638570      1.892972      5.280860
  N      -5.127930      1.948946      6.579201
  C      -4.797054      2.033723      8.004167
  C      -3.461195      1.351118      8.263562
  N      -2.466768      1.784508      7.249270
  C      -1.385465      0.792774      7.046158
  C      -1.878174     -0.352882      6.176454
  C      -1.921757      3.146093      7.498785
  C      -1.537036      3.752986      6.146118
  N      -2.679414      3.681794      5.235849
  H      -0.995415     -0.901426      5.797983
  H      -2.455518     -1.088489      6.776017
  H      -0.569255      1.311598      6.525591
  H      -0.995914      0.429967      8.013938
  H      -1.204327      4.804326      6.287530
  H      -0.667662      3.211137      5.721811
  H      -2.719070      3.756962      7.952564
  H      -1.076526      3.101196      8.206712
  H      -5.573116      1.530716      8.614880
  H      -4.765267      3.088506      8.353650
  H      -3.588755      0.261940      8.148178
  H      -3.094568      1.550092      9.289146
  C      -2.899353     -0.882528      4.051061
  C      -1.781334     -0.858978      2.962922
  C      -2.074653      0.136136      1.846295
  O      -3.129730     -0.495917      1.065146
  C      -3.905510      0.151298      0.180802
  C      -5.029351     -0.545704     -0.261399
  C      -5.903729      0.029739     -1.198944
  N      -5.747873      1.227882     -1.738561
  C      -4.640900      1.918478     -1.340850
  C      -4.403257      3.188665     -1.903469
  C      -3.280093      3.899734     -1.549178
  C      -2.385371      3.334320     -0.620249
  N      -2.559288      2.156227     -0.056471
  C      -3.670353      1.443063     -0.389889
  C      -3.228865      5.029045      4.996269
  C      -4.426743      5.072337      4.053122
  C      -4.006173      5.069905      2.581828
  O      -5.092618      4.695339      1.693795
  C      -6.170529      5.503506      1.600098
  C      -6.318761      6.752928      2.201385
  C      -7.544092      7.450136      2.048568
  N      -8.595702      7.022698      1.348432
  C      -8.441141      5.821931      0.697501
  C      -9.494860      5.328060     -0.121782
  C      -9.309657      4.152561     -0.827303
  C      -8.084201      3.450485     -0.689084
  N      -7.094886      3.848933      0.104061
  C      -7.253551      5.018770      0.779141
  C      -6.543302      2.137644      6.295397
  C      -7.009693      3.598539      6.460032
  C      -8.358974      3.888659      5.819912
  O      -8.291323      3.437772      4.464235
  C      -9.402206      3.378829      3.725549
  C     -10.524536      4.153499      3.910444
  C     -11.592613      4.010158      3.007679
  N     -11.640550      3.159488      1.991150
  C     -10.557232      2.356225      1.821266
  C     -10.555434      1.386306      0.784169
  C      -9.467021      0.577756      0.622200
  C      -8.370945      0.736158      1.496271
  N      -8.331584      1.623062      2.482829
  C      -9.401382      2.427658      2.647797
  H      -2.933594     -1.886729      4.534111
  H      -3.874574     -0.734979      3.569441
  H      -0.815267     -0.573713      3.425217
  H      -1.640841     -1.877122      2.514497
  H      -1.188444      0.323257      1.189518
  H      -2.435111      1.111510      2.240068
  H      -5.229490     -1.533295      0.148643
  H      -6.790279     -0.532242     -1.515641
  H      -5.128390      3.563596     -2.614510
  H      -3.070484      4.880884     -1.966608
  H      -1.477589      3.880153     -0.337479
  H      -2.418754      5.712051      4.597873
  H      -3.553489      5.488970      5.979534
  H      -5.021033      5.973046      4.296678
  H      -5.080022      4.190476      4.234483
  H      -3.240381      4.290707      2.392176
  H      -3.589181      6.060713      2.272722
  H      -5.518254      7.202459      2.800289
  H      -7.655398      8.424852      2.551853
  H     -10.425377      5.902811     -0.175509
  H     -10.096559      3.751429     -1.475960
  H      -7.902808      2.522176     -1.249889
  H      -7.150132      1.487759      6.956760
  H      -6.725112      1.819381      5.258372
  H      -6.254778      4.259223      6.004576
  H      -7.073055      3.871637      7.528281
  H      -8.571963      4.960945      5.845829
  H      -9.174239      3.357972      6.316857
  H     -10.587401      4.886373      4.714990
  H     -12.461707      4.651018      3.139132
  H     -11.426989      1.313153      0.137740
  H      -9.433181     -0.172937     -0.170924
  H      -7.486439      0.117934      1.380930
  N      -4.584957      1.831946      3.742611
  N      -5.155340      1.603123      2.658196
  H      -5.553203      2.441554      2.193559
101
Coordinates from ORCA-job orca E -6484.305472648684
  N      -2.672702      0.170322      5.061010
  Mo     -3.622063      1.909121      5.286373
  N      -5.118966      1.944769      6.570468
  C      -4.794254      2.006323      7.992281
  C      -3.459860      1.318835      8.247639
  N      -2.459848      1.766926      7.252859
  C      -1.378177      0.782086      7.039760
  C      -1.871803     -0.342978      6.153243
  C      -1.922920      3.115639      7.533999
  C      -1.539331      3.751011      6.211681
  N      -2.674802      3.691952      5.278126
  H      -1.001721     -0.883117      5.776744
  H      -2.452615     -1.078086      6.734458
  H      -0.558229      1.306553      6.533136
  H      -0.994090      0.402739      8.000659
  H      -1.218452      4.786677      6.384504
  H      -0.666117      3.232990      5.791395
  H      -2.721871      3.700783      7.990529
  H      -1.081766      3.064466      8.246283
  H      -5.573814      1.495142      8.587996
  H      -4.762852      3.049888      8.357718
  H      -3.588186      0.238013      8.112619
  H      -3.099172      1.498694      9.273694
  C      -2.874028     -0.856053      4.046349
  C      -1.764204     -0.846209      2.982394
  C      -2.055003      0.117553      1.854687
  O      -3.105188     -0.532622      1.065446
  C      -3.895497      0.078402      0.175048
  C      -4.990446     -0.695040     -0.244171
  C      -5.894144     -0.178779     -1.185864
  N      -5.800313      1.039084     -1.751149
  C      -4.723659      1.811623     -1.373963
  C      -4.567732      3.112525     -1.955852
  C      -3.479614      3.903554     -1.617438
  C      -2.539655      3.391900     -0.687336
  N      -2.642036      2.189304     -0.106823
  C      -3.720890      1.393488     -0.421604
  C      -3.247275      5.011836      5.059394
  C      -4.432128      5.060120      4.101841
  C      -4.018516      5.138108      2.644634
  O      -5.073893      4.778233      1.730399
  C      -6.157685      5.558289      1.622190
  C      -6.343206      6.793721      2.212310
  C      -7.563037      7.463230      2.032597
  N      -8.578815      7.022912      1.322667
  C      -8.393339      5.833826      0.685624
  C      -9.416462      5.327042     -0.142002
  C      -9.205465      4.163338     -0.834632
  C      -7.983600      3.487682     -0.680339
  N      -7.018587      3.898649      0.116629
  C      -7.205170      5.058137      0.787085
  C      -6.534423      2.144055      6.281790
  C      -6.979635      3.609904      6.454700
  C      -8.328856      3.920248      5.816129
  O      -8.264002      3.454140      4.440771
  C      -9.393934      3.409874      3.702995
  C     -10.533546      4.176977      3.905330
  C     -11.613586      4.034427      3.005899
  N     -11.656395      3.190170      1.979485
  C     -10.555926      2.396439      1.796317
  C     -10.543061      1.429340      0.756193
  C      -9.431270      0.635878      0.581330
  C      -8.332685      0.803366      1.451197
  N      -8.306965      1.681671      2.441371
  C      -9.391245      2.470932      2.615199
  H      -2.909236     -1.842442      4.534699
  H      -3.847109     -0.709663      3.553719
  H      -0.807468     -0.564150      3.461750
  H      -1.624379     -1.852222      2.547008
  H      -1.175899      0.292882      1.211236
  H      -2.416186      1.089607      2.235122
  H      -5.142660     -1.699440      0.189726
  H      -6.759844     -0.801793     -1.484187
  H      -5.330185      3.448142     -2.663432
  H      -3.337111      4.907920     -2.047178
  H      -1.662763      4.000898     -0.410497
  H      -2.471155      5.707684      4.709117
  H      -3.580315      5.414216      6.026185
  H      -5.053585      5.918860      4.367041
  H      -5.045359      4.167799      4.238294
  H      -3.236836      4.405357      2.434542
  H      -3.645622      6.132616      2.380612
  H      -5.575084      7.256184      2.817126
  H      -7.700972      8.426660      2.522266
  H     -10.347153      5.881705     -0.210520
  H      -9.968688      3.752217     -1.489351
  H      -7.781733      2.569567     -1.231487
  H      -7.149663      1.493301      6.931816
  H      -6.717662      1.845373      5.247605
  H      -6.206426      4.257427      6.000128
  H      -7.044500      3.887955      7.522553
  H      -8.521913      5.009125      5.848509
  H      -9.171882      3.393972      6.329883
  H     -10.602903      4.901085      4.722646
  H     -12.500565      4.666540      3.153896
  H     -11.419940      1.348541      0.116672
  H      -9.381515     -0.111807     -0.218417
  H      -7.431202      0.199259      1.328004
  N      -4.550429      1.860667      3.749500
  N      -5.110710      1.650414      2.667770
  H      -5.515802      2.485723      2.227532
101
Coordinates from ORCA-job orca E -6484.308456637885
  N      -2.679258      0.156477      5.063164
  Mo     -3.618280      1.901790      5.270131
  N      -5.118671      1.956084      6.555433
  C      -4.800493      2.035312      7.982593
  C      -3.467650      1.346531      8.253358
  N      -2.464848      1.780500      7.252031
  C      -1.385448      0.781476      7.061225
  C      -1.877344     -0.357744      6.184724
  C      -1.927164      3.134710      7.519589
  C      -1.534866      3.753906      6.181195
  N      -2.670095      3.686702      5.248886
  H      -0.984911     -0.921031      5.816293
  H      -2.470137     -1.089492      6.785676
  H      -0.553960      1.292685      6.552593
  H      -1.013398      0.412040      8.037713
  H      -1.215062      4.794899      6.342213
  H      -0.658631      3.223816      5.764396
  H      -2.733096      3.737816      7.968300
  H      -1.086623      3.085772      8.243305
  H      -5.582784      1.533075      8.583854
  H      -4.769662      3.085994      8.335232
  H      -3.594816      0.261877      8.131386
  H      -3.110293      1.540296      9.282135
  C      -2.883517     -0.864201      4.027752
  C      -1.774422     -0.866930      2.966386
  C      -2.062554      0.102147      1.836062
  O      -3.111343     -0.528762      1.050424
  C      -3.894190      0.122635      0.172621
  C      -5.009264     -0.580864     -0.261405
  C      -5.891768     -0.007037     -1.173170
  N      -5.759980      1.200711     -1.698489
  C      -4.666309      1.904646     -1.307883
  C      -4.475697      3.198981     -1.844961
  C      -3.361423      3.918406     -1.495951
  C      -2.428696      3.338444     -0.604993
  N      -2.574591      2.147270     -0.061657
  C      -3.678926      1.423521     -0.386175
  C      -3.233661      5.011742      5.003278
  C      -4.413193      5.058349      4.041507
  C      -3.989430      5.106862      2.583854
  O      -5.056405      4.746428      1.681157
  C      -6.136226      5.544005      1.586216
  C      -6.297700      6.789059      2.181444
  C      -7.528609      7.470091      2.036995
  N      -8.576750      7.030890      1.357139
  C      -8.415056      5.833939      0.714961
  C      -9.480594      5.325880     -0.073485
  C      -9.303157      4.148404     -0.762562
  C      -8.063587      3.463624     -0.647159
  N      -7.055830      3.876487      0.109907
  C      -7.216284      5.046517      0.779565
  C      -6.533433      2.149925      6.257058
  C      -6.986929      3.614717      6.414931
  C      -8.328965      3.908014      5.761959
  O      -8.258712      3.436898      4.394743
  C      -9.394599      3.386451      3.666216
  C     -10.537058      4.149466      3.865659
  C     -11.642378      3.986435      2.988394
  N     -11.708476      3.126548      1.993966
  C     -10.601042      2.339755      1.812908
  C     -10.605836      1.358039      0.802910
  C      -9.481883      0.566678      0.628870
  C      -8.354321      0.756272      1.468166
  N      -8.311051      1.649727      2.426174
  C      -9.406288      2.434912      2.602487
  H      -2.941999     -1.854397      4.513497
  H      -3.847000     -0.705376      3.523169
  H      -0.818307     -0.598330      3.436480
  H      -1.647808     -1.866962      2.539537
  H      -1.193943      0.267882      1.197276
  H      -2.413073      1.068916      2.207391
  H      -5.195749     -1.571050      0.141916
  H      -6.774464     -0.569842     -1.481165
  H      -5.239238      3.590086     -2.526333
  H      -3.188511      4.915004     -1.893175
  H      -1.520859      3.881408     -0.328792
  H      -2.452968      5.698778      4.638106
  H      -3.564829      5.433494      5.967021
  H      -5.022041      5.933826      4.290170
  H      -5.038363      4.173809      4.192056
  H      -3.218387      4.354345      2.387013
  H      -3.595721      6.096502      2.304738
  H      -5.505953      7.248516      2.768064
  H      -7.647357      8.440172      2.532600
  H     -10.419629      5.889295     -0.113712
  H     -10.104976      3.733812     -1.382134
  H      -7.888602      2.536557     -1.195310
  H      -7.151439      1.502279      6.912302
  H      -6.709536      1.838744      5.222096
  H      -6.222146      4.261819      5.967802
  H      -7.059728      3.894574      7.476388
  H      -8.542749      4.990379      5.779674
  H      -9.154354      3.376687      6.268928
  H     -10.589422      4.882591      4.661672
  H     -12.527281      4.617441      3.129783
  H     -11.502476      1.259262      0.182177
  H      -9.446594     -0.192594     -0.144445
  H      -7.442574      0.152755      1.341887
  N      -4.546892      1.859257      3.730763
  N      -5.103397      1.638234      2.647020
  H      -5.487189      2.463761      2.198186
101
Coordinates from ORCA-job orca E -6484.306478904320
  N      -2.673644      0.151977      5.074067
  Mo     -3.628324      1.892129      5.280139
  N      -5.116555      1.938151      6.575986
  C      -4.786254      2.020850      8.000124
  C      -3.448493      1.345557      8.260575
  N      -2.458412      1.787271      7.251943
  C      -1.371725      0.804101      7.050819
  C      -1.855400     -0.342802      6.176570
  C      -1.924391      3.149237      7.506859
  C      -1.547387      3.761771      6.162599
  N      -2.686192      3.679744      5.245591
  H      -0.967618     -0.886662      5.796677
  H      -2.425371     -1.081218      6.775170
  H      -0.555824      1.327881      6.537493
  H      -0.984787      0.441504      8.020640
  H      -1.229989      4.809804      6.314478
  H      -0.673173      3.235964      5.740199
  H      -2.725906      3.750961      7.960398
  H      -1.078326      3.110830      8.218439
  H      -5.559702      1.515105      8.606434
  H      -4.757787      3.072133      8.352218
  H      -3.569224      0.259057      8.139606
  H      -3.083277      1.543137      9.286941
  C      -2.874856     -0.881465      4.061351
  C      -1.770661     -0.872579      2.985384
  C      -2.070635      0.106914      1.855676
  O      -3.116948     -0.512646      1.079960
  C      -3.904733      0.129716      0.198526
  C      -5.017793     -0.576460     -0.245957
  C      -5.890032     -0.006051     -1.181999
  N      -5.743510      1.195804     -1.719260
  C      -4.649840      1.896610     -1.319684
  C      -4.424401      3.172871     -1.880413
  C      -3.313067      3.894435     -1.525875
  C      -2.420359      3.332658     -0.600836
  N      -2.583394      2.149700     -0.038238
  C      -3.681756      1.426297     -0.370963
  C      -3.241322      5.013479      4.995242
  C      -4.443468      5.053194      4.055256
  C      -4.035687      5.073316      2.586841
  O      -5.118708      4.707762      1.694908
  C      -6.193846      5.513602      1.597696
  C      -6.344853      6.762862      2.192047
  C      -7.565667      7.457703      2.033894
  N      -8.609535      7.030288      1.334150
  C      -8.452698      5.831266      0.688259
  C      -9.497590      5.340310     -0.133880
  C      -9.312304      4.164530     -0.838245
  C      -8.090685      3.461654     -0.700493
  N      -7.107573      3.858292      0.094180
  C      -7.269242      5.028019      0.773953
  C      -6.532705      2.125349      6.288209
  C      -6.992632      3.591724      6.444493
  C      -8.333640      3.890403      5.802820
  O      -8.262626      3.404087      4.454580
  C      -9.381446      3.366673      3.725990
  C     -10.500619      4.146447      3.934994
  C     -11.581391      4.022815      3.039923
  N     -11.643747      3.188062      2.010628
  C     -10.560881      2.382966      1.814414
  C     -10.570229      1.433814      0.755930
  C      -9.477230      0.620999      0.562370
  C      -8.365622      0.759370      1.427686
  N      -8.317972      1.626523      2.434747
  C      -9.391728      2.432917      2.630390
  H      -2.906121     -1.878868      4.548339
  H      -3.849192     -0.733228      3.580544
  H      -0.808190     -0.592711      3.442212
  H      -1.636939     -1.883537      2.559337
  H      -1.208275      0.274962      1.211037
  H      -2.418900      1.071590      2.219937
  H      -5.207483     -1.568564      0.161833
  H      -6.766421     -0.575298     -1.502456
  H      -5.149963      3.545161     -2.590037
  H      -3.115285      4.882372     -1.942666
  H      -1.519848      3.883420     -0.319765
  H      -2.443003      5.693232      4.597747
  H      -3.556974      5.466498      5.971541
  H      -5.044072      5.940816      4.305832
  H      -5.082554      4.169012      4.229455
  H      -3.269687      4.306953      2.389484
  H      -3.630292      6.061896      2.290458
  H      -5.550007      7.215584      2.786980
  H      -7.677321      8.431485      2.530188
  H     -10.420260      5.918181     -0.194599
  H     -10.091121      3.765775     -1.487590
  H      -7.904264      2.535295     -1.268534
  H      -7.145226      1.478726      6.953048
  H      -6.712447      1.803996      5.251378
  H      -6.232715      4.240155      5.989488
  H      -7.058959      3.873635      7.506882
  H      -8.534968      4.980187      5.805970
  H      -9.158950      3.377957      6.315693
  H     -10.552061      4.866745      4.750938
  H     -12.447050      4.668773      3.189744
  H     -11.451175      1.378247      0.113890
  H      -9.452910     -0.114073     -0.247634
  H      -7.476428      0.138726      1.285562
  N      -4.572134      1.830634      3.740733
  N      -5.139180      1.596913      2.657565
  H      -5.577411      2.518847      2.238734
101
Coordinates from ORCA-job orca E -6484.307039961909
  N      -2.687453      0.160345      5.075733
  Mo     -3.636665      1.900118      5.290006
  N      -5.120059      1.946146      6.591384
  C      -4.784992      2.030002      8.012625
  C      -3.448702      1.350287      8.265153
  N      -2.459527      1.785658      7.249817
  C      -1.380479      0.795582      7.039904
  C      -1.879751     -0.347438      6.171862
  C      -1.913565      3.145721      7.501284
  C      -1.535096      3.758787      6.156506
  N      -2.677726      3.684239      5.246118
  H      -1.006193     -0.898456      5.792874
  H      -2.460831     -1.078996      6.769637
  H      -0.567367      1.314712      6.517398
  H      -0.987825      0.430896      8.003315
  H      -1.206669      4.807382      6.305756
  H      -0.667495      3.227147      5.730267
  H      -2.707350      3.750436      7.957184
  H      -1.067988      3.102808      8.204824
  H      -5.557904      1.524829      8.623880
  H      -4.752126      3.083099      8.363538
  H      -3.576734      0.262330      8.149781
  H      -3.077925      1.548907      9.287351
  C      -2.893728     -0.864957      4.055821
  C      -1.778642     -0.857397      2.989963
  C      -2.047361      0.116014      1.862708
  O      -3.083916     -0.514784      1.052793
  C      -3.853002      0.123549      0.166026
  C      -4.975388     -0.580768     -0.278589
  C      -5.861222     -0.004864     -1.212250
  N      -5.721562      1.201462     -1.745457
  C      -4.616879      1.899333     -1.346017
  C      -4.408686      3.186250     -1.897693
  C      -3.297363      3.910475     -1.537392
  C      -2.382104      3.339840     -0.614805
  N      -2.528870      2.146256     -0.062163
  C      -3.630100      1.421430     -0.399974
  C      -3.220613      5.025467      4.994310
  C      -4.428789      5.058352      4.057349
  C      -4.027552      5.064844      2.581385
  O      -5.114994      4.690887      1.696134
  C      -6.185385      5.499192      1.585196
  C      -6.332089      6.753314      2.157046
  C      -7.540686      7.448207      1.975457
  N      -8.579549      7.014241      1.278579
  C      -8.429048      5.808774      0.657366
  C      -9.469374      5.306933     -0.158535
  C      -9.284952      4.128652     -0.840526
  C      -8.076051      3.434287     -0.683350
  N      -7.097744      3.839939      0.106028
  C      -7.256102      5.010255      0.763229
  C      -6.535729      2.129498      6.312992
  C      -6.998035      3.593886      6.467895
  C      -8.358125      3.871168      5.844828
  O      -8.306388      3.402191      4.491601
  C      -9.434339      3.366504      3.766920
  C     -10.573931      4.133355      4.003610
  C     -11.654792      4.020015      3.107820
  N     -11.697955      3.203652      2.050708
  C     -10.600133      2.405749      1.831238
  C     -10.598023      1.467163      0.752943
  C      -9.493678      0.663784      0.539254
  C      -8.387399      0.796111      1.407814
  N      -8.349965      1.652750      2.434959
  C      -9.432646      2.450364      2.647971
  H      -2.938342     -1.857837      4.541180
  H      -3.861649     -0.709474      3.561262
  H      -0.826816     -0.584260      3.472364
  H      -1.645789     -1.858544      2.547741
  H      -1.156252      0.294953      1.228012
  H      -2.408836      1.081793      2.250585
  H      -5.169133     -1.571166      0.128917
  H      -6.749485     -0.570200     -1.529542
  H      -5.152414      3.567927     -2.602477
  H      -3.115322      4.907164     -1.944962
  H      -1.488095      3.897717     -0.324832
  H      -2.412382      5.699846      4.586739
  H      -3.532319      5.492722      5.973318
  H      -5.029971      5.948139      4.306367
  H      -5.069039      4.171137      4.241267
  H      -3.262364      4.293928      2.382926
  H      -3.620151      6.051964      2.274440
  H      -5.541746      7.209577      2.751576
  H      -7.649579      8.426345      2.452533
  H     -10.387506      5.877471     -0.229884
  H     -10.056637      3.721400     -1.487995
  H      -7.894766      2.505497     -1.229189
  H      -7.140699      1.485143      6.982833
  H      -6.723947      1.802808      5.280079
  H      -6.245652      4.251448      5.990172
  H      -7.045935      3.882989      7.537117
  H      -8.567730      4.946640      5.862626
  H      -9.173124      3.345159      6.363037
  H     -10.641379      4.835081      4.845354
  H     -12.541244      4.653248      3.283144
  H     -11.481235      1.412041      0.116422
  H      -9.458666     -0.062809     -0.288440
  H      -7.496465      0.180668      1.256794
  N      -4.593207      1.836683      3.761731
  N      -5.170497      1.598507      2.684651
  H      -5.581495      2.390580      2.208635
101
Coordinates from ORCA-job orca E -6484.306794963833
  N      -2.674844      0.166432      5.061033
  Mo     -3.611320      1.911887      5.278952
  N      -5.118042      1.953969      6.557507
  C      -4.804197      2.021283      7.983190
  C      -3.471649      1.327309      8.251499
  N      -2.462874      1.767750      7.258154
  C      -1.382151      0.773161      7.059391
  C      -1.874243     -0.353832      6.172881
  C      -1.926209      3.115390      7.539864
  C      -1.529675      3.749196      6.213129
  N      -2.663074      3.691922      5.270317
  H      -0.988059     -0.906144      5.802297
  H      -2.466422     -1.089412      6.762829
  H      -0.550443      1.289672      6.556606
  H      -1.010055      0.394303      8.029813
  H      -1.212410      4.786189      6.386001
  H      -0.646911      3.226789      5.799205
  H      -2.732982      3.708216      7.990490
  H      -1.087565      3.060560      8.263668
  H      -5.590541      1.515943      8.577940
  H      -4.772855      3.067683      8.343297
  H      -3.601589      0.245765      8.120304
  H      -3.116589      1.510133      9.280571
  C      -2.879393     -0.853036      4.031079
  C      -1.764479     -0.845594      2.970063
  C      -2.055650      0.125239      1.843849
  O      -3.098986     -0.534619      1.053315
  C      -3.899020      0.097951      0.180226
  C      -4.998105     -0.646928     -0.240683
  C      -5.900558     -0.102805     -1.157789
  N      -5.803159      1.116530     -1.697258
  C      -4.722448      1.861188     -1.318298
  C      -4.563001      3.163917     -1.873572
  C      -3.455667      3.918278     -1.539294
  C      -2.500280      3.367562     -0.641891
  N      -2.618599      2.169794     -0.081459
  C      -3.715893      1.410638     -0.392594
  C      -3.216923      5.014827      5.019752
  C      -4.395776      5.067337      4.059958
  C      -3.977830      5.133314      2.606707
  O      -5.038634      4.780736      1.701079
  C      -6.113317      5.576992      1.602163
  C      -6.271422      6.821407      2.193252
  C      -7.494913      7.507249      2.042931
  N      -8.540074      7.072547      1.362097
  C      -8.382308      5.874860      0.722861
  C      -9.446205      5.372027     -0.068437
  C      -9.269344      4.199340     -0.760688
  C      -8.035264      3.511615     -0.644811
  N      -7.031696      3.917269      0.118880
  C      -7.189615      5.084260      0.791214
  C      -6.533058      2.154046      6.252427
  C      -6.983799      3.617101      6.400194
  C      -8.331071      3.912477      5.747598
  O      -8.278513      3.418162      4.385820
  C      -9.406640      3.372316      3.644628
  C     -10.546550      4.129499      3.829897
  C     -11.639081      3.961063      2.942557
  N     -11.697015      3.099505      1.951295
  C     -10.594782      2.317328      1.786896
  C     -10.595933      1.326970      0.791918
  C      -9.482475      0.543782      0.639696
  C      -8.368462      0.745651      1.484771
  N      -8.329032      1.643888      2.430159
  C      -9.414134      2.421208      2.585866
  H      -2.932101     -1.842806      4.515993
  H      -3.844432     -0.696082      3.527743
  H      -0.811024     -0.569776      3.446820
  H      -1.627075     -1.847893      2.536526
  H      -1.170912      0.312462      1.202447
  H      -2.430853      1.099107      2.225955
  H      -5.155375     -1.649554      0.174210
  H      -6.769590     -0.702166     -1.457188
  H      -5.339058      3.529750     -2.558929
  H      -3.303158      4.919176     -1.950597
  H      -1.598325      3.941575     -0.375874
  H      -2.436121      5.690353      4.659902
  H      -3.544183      5.435195      5.973567
  H      -5.011192      5.933053      4.314971
  H      -5.011815      4.182518      4.201054
  H      -3.206993      4.389743      2.404422
  H      -3.593091      6.121715      2.335701
  H      -5.480674      7.278147      2.779606
  H      -7.610610      8.477635      2.534723
  H     -10.384169      5.937783     -0.107164
  H     -10.070121      3.790492     -1.385860
  H      -7.861621      2.589197     -1.194608
  H      -7.154297      1.511814      6.903313
  H      -6.706698      1.844494      5.222277
  H      -6.214907      4.257172      5.948336
  H      -7.054829      3.903414      7.457998
  H      -8.533064      4.990183      5.750873
  H      -9.161407      3.397977      6.268113
  H     -10.610319      4.861889      4.626153
  H     -12.525881      4.584531      3.077630
  H     -11.484002      1.218135      0.168413
  H      -9.441226     -0.222211     -0.123284
  H      -7.462843      0.149414      1.374889
  N      -4.534015      1.869798      3.738245
  N      -5.089967      1.654128      2.656404
  H      -5.493431      2.480786      2.215796
101
Coordinates from ORCA-job orca E -6484.309597971430
  N      -2.673475      0.162774      5.069806
  Mo     -3.631544      1.899695      5.284160
  N      -5.121151      1.937163      6.577945
  C      -4.793961      2.017274      8.002173
  C      -3.456059      1.340888      8.264035
  N      -2.466374      1.785835      7.259392
  C      -1.378297      0.804681      7.056800
  C      -1.860423     -0.336577      6.177156
  C      -1.935567      3.143206      7.525588
  C      -1.553356      3.762748      6.188739
  N      -2.688772      3.684026      5.261636
  H      -0.973174     -0.881477      5.800164
  H      -2.434417     -1.074259      6.771472
  H      -0.561532      1.330430      6.546852
  H      -0.992748      0.438321      8.026403
  H      -1.241496      4.806583      6.350073
  H      -0.676530      3.241792      5.769112
  H      -2.740411      3.741317      7.977061
  H      -1.092497      3.101957      8.244274
  H      -5.568077      1.509232      8.605227
  H      -4.766894      3.066798      8.356677
  H      -3.575682      0.256006      8.140930
  H      -3.092583      1.537468      9.290357
  C      -2.864699     -0.869359      4.039175
  C      -1.744160     -0.863297      2.977185
  C      -2.043008      0.105682      1.844116
  O      -3.083959     -0.519302      1.064624
  C      -3.883077      0.119277      0.188472
  C      -4.992767     -0.600848     -0.238976
  C      -5.878646     -0.042384     -1.159325
  N      -5.753935      1.164765     -1.697216
  C      -4.664903      1.882939     -1.314318
  C      -4.469607      3.169281     -1.872839
  C      -3.362873      3.906561     -1.532140
  C      -2.443608      3.351613     -0.627029
  N      -2.584774      2.162770     -0.066731
  C      -3.679346      1.421620     -0.383900
  C      -3.237313      5.014462      4.997364
  C      -4.426271      5.056068      4.046901
  C      -4.005206      5.077624      2.585222
  O      -5.083560      4.718834      1.692539
  C      -6.149415      5.536137      1.586224
  C      -6.289613      6.792394      2.167240
  C      -7.504792      7.496230      2.004407
  N      -8.554923      7.068663      1.318064
  C      -8.411531      5.861655      0.687825
  C      -9.471826      5.367775     -0.114622
  C      -9.305269      4.184031     -0.801018
  C      -8.081402      3.479356     -0.670583
  N      -7.081541      3.877798      0.104062
  C      -7.231070      5.052093      0.771985
  C      -6.536903      2.124107      6.289053
  C      -6.988697      3.594063      6.434611
  C      -8.338670      3.878109      5.796090
  O      -8.279721      3.369880      4.440050
  C      -9.415395      3.343113      3.716027
  C     -10.541973      4.119342      3.931155
  C     -11.633342      3.996961      3.038839
  N     -11.698093      3.166599      2.011004
  C     -10.606782      2.366127      1.812411
  C     -10.610441      1.417898      0.758915
  C      -9.502622      0.611358      0.562576
  C      -8.386712      0.756287      1.421497
  N      -8.344874      1.619479      2.422186
  C      -9.428930      2.416631      2.621075
  H      -2.907992     -1.863267      4.523896
  H      -3.836027     -0.723670      3.538731
  H      -0.781469     -0.577462      3.447706
  H      -1.603291     -1.875351      2.549253
  H      -1.187814      0.270466      1.207896
  H      -2.390622      1.063633      2.203569
  H      -5.168283     -1.594858      0.172330
  H      -6.750568     -0.622423     -1.466981
  H      -5.218675      3.538001     -2.566840
  H      -3.187752      4.899687     -1.945876
  H      -1.544420      3.911951     -0.356954
  H      -2.443926      5.685419      4.604721
  H      -3.553158      5.466317      5.962532
  H      -5.027717      5.942212      4.289218
  H      -5.061129      4.174858      4.214112
  H      -3.244697      4.307092      2.393763
  H      -3.592734      6.061342      2.291443
  H      -5.492500      7.243885      2.755665
  H      -7.606938      8.475735      2.488419
  H     -10.394029      5.949622     -0.172971
  H     -10.099779      3.781299     -1.434504
  H      -7.909898      2.550071     -1.226109
  H      -7.150513      1.482547      6.956868
  H      -6.719080      1.799463      5.257172
  H      -6.226910      4.236269      5.963306
  H      -7.046654      3.893152      7.497503
  H      -8.543243      4.969246      5.790011
  H      -9.163814      3.363213      6.327394
  H     -10.592329      4.833546      4.748798
  H     -12.503233      4.640598      3.191351
  H     -11.494709      1.356381      0.121988
  H      -9.469690     -0.124380     -0.243838
  H      -7.485281      0.140658      1.276851
  N      -4.571622      1.844493      3.748249
  N      -5.136600      1.609928      2.669921
  H      -5.554813      2.462261      2.227064
101
Coordinates from ORCA-job orca E -6484.307321137813
  N      -2.685251      0.157563      5.080289
  Mo     -3.619061      1.904392      5.287823
  N      -5.109230      1.954290      6.584328
  C      -4.780685      2.043036      8.008308
  C      -3.446431      1.357458      8.269616
  N      -2.450018      1.784704      7.254161
  C      -1.375491      0.783732      7.050873
  C      -1.879808     -0.360120      6.185360
  C      -1.898885      3.143535      7.503562
  C      -1.516774      3.757724      6.158780
  N      -2.659770      3.685528      5.246692
  H      -0.998252     -0.925736      5.808763
  H      -2.472684     -1.089751      6.791415
  H      -0.553130      1.294776      6.528542
  H      -0.990185      0.417964      8.019817
  H      -1.189075      4.805542      6.309779
  H      -0.646924      3.226098      5.733000
  H      -2.692122      3.752695      7.959841
  H      -1.052640      3.096173      8.208880
  H      -5.558418      1.543645      8.619441
  H      -4.746092      3.098231      8.354430
  H      -3.577288      0.268828      8.157944
  H      -3.079320      1.558457      9.293891
  C      -2.903628     -0.854454      4.072629
  C      -1.816360     -0.851201      3.005232
  C      -2.079953      0.134898      1.881961
  O      -3.110127     -0.508482      1.056659
  C      -3.876485      0.133676      0.174620
  C      -4.997872     -0.564941     -0.277402
  C      -5.878220      0.016206     -1.207174
  N      -5.731589      1.220429     -1.731262
  C      -4.626855      1.912774     -1.325669
  C      -4.411424      3.197957     -1.869754
  C      -3.292680      3.912033     -1.507576
  C      -2.380096      3.333991     -0.590761
  N      -2.539432      2.145996     -0.042333
  C      -3.646993      1.430233     -0.382338
  C      -3.191413      5.027315      4.976936
  C      -4.404086      5.063199      4.045444
  C      -4.015444      5.073141      2.569088
  O      -5.110204      4.707148      1.688814
  C      -6.177846      5.518883      1.586861
  C      -6.317426      6.772465      2.165190
  C      -7.529778      7.472368      2.000896
  N      -8.576616      7.045394      1.311674
  C      -8.431718      5.841889      0.681335
  C      -9.482389      5.349462     -0.128180
  C      -9.306715      4.171024     -0.821746
  C      -8.093184      3.466798     -0.682423
  N      -7.105268      3.863663      0.101586
  C      -7.256212      5.035437      0.770615
  C      -6.524275      2.129532      6.292024
  C      -6.999611      3.588703      6.430191
  C      -8.349100      3.863834      5.793078
  O      -8.293752      3.369667      4.452367
  C      -9.413722      3.331944      3.726136
  C     -10.548865      4.096715      3.955825
  C     -11.640458      3.969243      3.071049
  N     -11.700588      3.141590      2.034053
  C     -10.604214      2.348915      1.818192
  C     -10.621260      1.398788      0.761107
  C      -9.520235      0.597427      0.552981
  C      -8.394897      0.745808      1.401699
  N      -8.340278      1.612814      2.408313
  C      -9.421921      2.407694      2.620031
  H      -2.951382     -1.846663      4.559158
  H      -3.862712     -0.681103      3.588084
  H      -0.875741     -0.600876      3.475413
  H      -1.701192     -1.833809      2.570486
  H      -1.172003      0.327320      1.252665
  H      -2.459163      1.108687      2.276729
  H      -5.197565     -1.553285      0.122896
  H      -6.770289     -0.542465     -1.529716
  H      -5.153107      3.585128     -2.572010
  H      -3.103101      4.906248     -1.911220
  H      -1.475331      3.880075     -0.303037
  H      -2.382107      5.688897      4.561965
  H      -3.493765      5.503337      5.949339
  H      -5.003269      5.951077      4.296398
  H      -5.041161      4.179099      4.231484
  H      -3.255123      4.303999      2.364540
  H      -3.610254      6.056375      2.265149
  H      -5.520014      7.225271      2.752219
  H      -7.632703      8.449328      2.483985
  H     -10.401777      5.928457     -0.187563
  H     -10.087120      3.771295     -1.464059
  H      -7.918182      2.537888     -1.239305
  H      -7.131234      1.487474      6.961913
  H      -6.700971      1.794178      5.258036
  H      -6.253559      4.240391      5.964898
  H      -7.059832      3.877673      7.487614
  H      -8.560069      4.944679      5.784846
  H      -9.162304      3.350553      6.317076
  H     -10.608517      4.805284      4.785706
  H     -12.522358      4.600195      3.241850
  H     -11.518632      1.331590      0.137394
  H      -9.503086     -0.138558     -0.254464
  H      -7.505128      0.133148      1.251938
  N      -4.570236      1.841685      3.754547
  N      -5.144714      1.598919      2.677330
  H      -5.584751      2.459972      2.236100
101
Coordinates from ORCA-job orca E -6484.310311675276
  N      -2.677127      0.162937      5.075080
  Mo     -3.626323      1.903716      5.292932
  N      -5.121247      1.937619      6.583408
  C      -4.796164      2.016791      8.006536
  C      -3.458736      1.335910      8.266510
  N      -2.462167      1.778302      7.261259
  C      -1.377024      0.792130      7.055669
  C      -1.865685     -0.344538      6.175363
  C      -1.927485      3.135674      7.527568
  C      -1.543160      3.760898      6.191507
  N      -2.679366      3.686039      5.262439
  H      -0.982859     -0.885542      5.796944
  H      -2.443209     -1.083621      6.767242
  H      -0.557425      1.315293      6.544471
  H      -0.992595      0.421314      8.022085
  H      -1.229400      4.807093      6.353304
  H      -0.661383      3.241776      5.773581
  H      -2.730607      3.730390      7.980693
  H      -1.084603      3.091729      8.240673
  H      -5.573541      1.510337      8.611122
  H      -4.767202      3.067531      8.360370
  H      -3.583197      0.250585      8.142943
  H      -3.095259      1.527742      9.292187
  C      -2.877673     -0.863095      4.045864
  C      -1.749783     -0.851198      2.983108
  C      -2.034940      0.120752      1.853180
  O      -3.068883     -0.520611      1.055658
  C      -3.864871      0.122147      0.184555
  C      -4.977784     -0.594426     -0.251271
  C      -5.873065     -0.023079     -1.173886
  N      -5.750422      1.190726     -1.703742
  C      -4.655909      1.902790     -1.311673
  C      -4.464309      3.197314     -1.860457
  C      -3.353806      3.926078     -1.512706
  C      -2.422529      3.353487     -0.606815
  N      -2.557248      2.155973     -0.054535
  C      -3.660495      1.427759     -0.378877
  C      -3.215541      5.018651      4.983066
  C      -4.409474      5.053707      4.034099
  C      -4.002009      5.079596      2.569763
  O      -5.077896      4.718439      1.676885
  C      -6.140032      5.531699      1.565473
  C      -6.274818      6.787207      2.138964
  C      -7.483061      7.491831      1.972133
  N      -8.534105      7.064752      1.289475
  C      -8.397432      5.855901      0.667895
  C      -9.460265      5.358709     -0.126276
  C      -9.297804      4.174829     -0.804773
  C      -8.084014      3.471310     -0.668648
  N      -7.084337      3.871905      0.100509
  C      -7.223656      5.047498      0.756235
  C      -6.537625      2.128061      6.289916
  C      -6.994496      3.593076      6.426221
  C      -8.348770      3.880732      5.793973
  O      -8.308465      3.371992      4.455048
  C      -9.428697      3.346331      3.721462
  C     -10.564207      4.108024      3.948453
  C     -11.657309      3.978265      3.064010
  N     -11.718967      3.149225      2.030736
  C     -10.621976      2.359125      1.819954
  C     -10.637501      1.403052      0.773034
  C      -9.535984      0.607400      0.571685
  C      -8.416382      0.763166      1.420044
  N      -8.361934      1.634009      2.415929
  C      -9.440512      2.423835      2.619266
  H      -2.926780     -1.859558      4.528453
  H      -3.844812     -0.709016      3.545255
  H      -0.791255     -0.564877      3.463740
  H      -1.603223     -1.865408      2.546556
  H      -1.150433      0.305980      1.218313
  H      -2.406095      1.087281      2.228686
  H      -5.153429     -1.593718      0.153809
  H      -6.754851     -0.599284     -1.484908
  H      -5.217308      3.578709     -2.553560
  H      -3.181290      4.925976     -1.919464
  H      -1.524106      3.911811     -0.330397
  H      -2.414304      5.678373      4.586702
  H      -3.530764      5.483317      5.940920
  H      -5.020729      5.931467      4.278547
  H      -5.035135      4.166771      4.202681
  H      -3.238152      4.318680      2.374353
  H      -3.603423      6.063804      2.273982
  H      -5.475710      7.237737      2.725298
  H      -7.581069      8.471749      2.450502
  H     -10.381499      5.938246     -0.181602
  H     -10.092494      3.770406     -1.433284
  H      -7.921511      2.539133     -1.210015
  H      -7.152363      1.491767      6.956450
  H      -6.718051      1.799714      5.261047
  H      -6.234595      4.234803      5.953863
  H      -7.050836      3.889405      7.484827
  H      -8.543413      4.958580      5.780566
  H      -9.172258      3.384309      6.327207
  H     -10.624594      4.814667      4.778109
  H     -12.543277      4.604661      3.235624
  H     -11.531475      1.329047      0.151592
  H      -9.511802     -0.132823     -0.231156
  H      -7.525707      0.154235      1.275731
  N      -4.569167      1.846024      3.759108
  N      -5.139754      1.607377      2.681439
  H      -5.562770      2.423809      2.228097
101
Coordinates from ORCA-job orca E -6484.308874334294
  N      -2.670912      0.172403      5.074278
  Mo     -3.623159      1.909503      5.292982
  N      -5.115147      1.941837      6.585049
  C      -4.789146      2.022376      8.008541
  C      -3.451298      1.344729      8.270205
  N      -2.460298      1.789789      7.267495
  C      -1.374935      0.804937      7.063331
  C      -1.860007     -0.332652      6.180682
  C      -1.927471      3.143053      7.539464
  C      -1.540743      3.766466      6.207250
  N      -2.673686      3.689191      5.275408
  H      -0.974166     -0.879862      5.803123
  H      -2.436168     -1.070661      6.773992
  H      -0.554121      1.328728      6.556510
  H      -0.993377      0.434191      8.033124
  H      -1.232837      4.808760      6.373998
  H      -0.661530      3.248781      5.789976
  H      -2.732644      3.740308      7.990571
  H      -1.086081      3.097675      8.260412
  H      -5.563046      1.513480      8.610526
  H      -4.762861      3.070777      8.363650
  H      -3.571924      0.261455      8.144046
  H      -3.088120      1.538363      9.296092
  C      -2.865127     -0.850782      4.049197
  C      -1.761226     -0.849209      2.993653
  C      -2.057425      0.118661      1.860948
  O      -3.090017     -0.526069      1.059978
  C      -3.898265      0.117285      0.194979
  C      -4.995128     -0.620409     -0.232382
  C      -5.883656     -0.072273     -1.143907
  N      -5.779655      1.144918     -1.672625
  C      -4.703643      1.882871     -1.290183
  C      -4.526878      3.176610     -1.842220
  C      -3.406510      3.917741     -1.514362
  C      -2.468117      3.368030     -0.623961
  N      -2.607420      2.180985     -0.064396
  C      -3.708503      1.428983     -0.371030
  C      -3.201818      5.024218      4.983333
  C      -4.386035      5.068436      4.029641
  C      -3.964273      5.077969      2.566722
  O      -5.057943      4.733449      1.682532
  C      -6.117206      5.562855      1.581718
  C      -6.246273      6.822590      2.158443
  C      -7.460552      7.532536      2.004631
  N      -8.519576      7.108192      1.332596
  C      -8.388139      5.897330      0.707656
  C      -9.460715      5.404919     -0.078330
  C      -9.309329      4.215807     -0.756202
  C      -8.082641      3.507473     -0.640843
  N      -7.068675      3.905256      0.114975
  C      -7.208783      5.082227      0.780629
  C      -6.529538      2.117164      6.291032
  C      -6.987332      3.585764      6.413190
  C      -8.340829      3.847438      5.767379
  O      -8.296202      3.295256      4.414088
  C      -9.439481      3.285233      3.690085
  C     -10.558499      4.068592      3.905733
  C     -11.650137      3.959593      3.010154
  N     -11.722771      3.135288      1.980583
  C     -10.638421      2.329467      1.781793
  C     -10.642584      1.389047      0.722445
  C      -9.535987      0.580151      0.521324
  C      -8.423031      0.715681      1.382597
  N      -8.380189      1.570295      2.387047
  C      -9.461290      2.367867      2.590597
  H      -2.910622     -1.839312      4.534341
  H      -3.832176     -0.695288      3.549574
  H      -0.806325     -0.578582      3.463233
  H      -1.630524     -1.846557      2.572555
  H      -1.188201      0.293896      1.237650
  H      -2.422849      1.079676      2.223421
  H      -5.155257     -1.622779      0.172661
  H      -6.738492     -0.668812     -1.453836
  H      -5.297307      3.545250     -2.522458
  H      -3.237617      4.909799     -1.926927
  H      -1.555257      3.928867     -0.364115
  H      -2.400148      5.676324      4.582168
  H      -3.512438      5.494709      5.938776
  H      -4.980763      5.961733      4.265013
  H      -5.027325      4.193536      4.201996
  H      -3.215114      4.290322      2.369551
  H      -3.533843      6.055448      2.270119
  H      -5.442516      7.272085      2.736335
  H      -7.553649      8.514469      2.483777
  H     -10.379960      5.992614     -0.132682
  H     -10.115290      3.813750     -1.376276
  H      -7.920390      2.576314     -1.194595
  H      -7.137493      1.481619      6.966222
  H      -6.710164      1.779116      5.263787
  H      -6.228843      4.224168      5.930013
  H      -7.044005      3.903041      7.473369
  H      -8.545618      4.939592      5.729977
  H      -9.163709      3.343457      6.325090
  H     -10.599859      4.779971      4.723145
  H     -12.508986      4.611321      3.159401
  H     -11.521520      1.336516      0.081927
  H      -9.500741     -0.150280     -0.291092
  H      -7.519184      0.099355      1.230951
  N      -4.557569      1.867333      3.759433
  N      -5.122354      1.628155      2.685312
  H      -5.543584      2.458318      2.246134
101
Coordinates from ORCA-job orca E -6484.310850889674
  N      -2.675335      0.161996      5.084815
  Mo     -3.620003      1.903918      5.295220
  N      -5.115114      1.939257      6.587062
  C      -4.792403      2.026623      8.012192
  C      -3.456143      1.344618      8.278046
  N      -2.460388      1.782266      7.270524
  C      -1.376324      0.792000      7.071459
  C      -1.863541     -0.347498      6.192744
  C      -1.923408      3.139537      7.533383
  C      -1.537857      3.763374      6.197345
  N      -2.672554      3.684049      5.268756
  H      -0.973320     -0.896644      5.815412
  H      -2.444489     -1.086711      6.789991
  H      -0.552370      1.311776      6.562226
  H      -0.997412      0.422613      8.043180
  H      -1.229272      4.809059      6.360985
  H      -0.656189      3.246720      5.779220
  H      -2.726064      3.739473      7.986060
  H      -1.080407      3.094646      8.248962
  H      -5.570194      1.523764      8.618816
  H      -4.763402      3.079739      8.360728
  H      -3.580238      0.258275      8.158674
  H      -3.093587      1.542094      9.304598
  C      -2.875191     -0.858900      4.050234
  C      -1.754371     -0.847846      2.988163
  C      -2.030519      0.131942      1.862868
  O      -3.053976     -0.501506      1.054486
  C      -3.849767      0.134123      0.185820
  C      -4.968901     -0.582879     -0.240913
  C      -5.869891     -0.015166     -1.153893
  N      -5.744233      1.193407     -1.685345
  C      -4.643614      1.907185     -1.303708
  C      -4.454267      3.200006     -1.854424
  C      -3.348896      3.937619     -1.513806
  C      -2.421952      3.376119     -0.615359
  N      -2.553687      2.179679     -0.061488
  C      -3.647816      1.439110     -0.379325
  C      -3.196247      5.017759      4.970954
  C      -4.392470      5.052765      4.026578
  C      -3.987309      5.064910      2.559425
  O      -5.074333      4.708262      1.677229
  C      -6.130221      5.534276      1.567774
  C      -6.250807      6.797923      2.132032
  C      -7.455938      7.512895      1.967406
  N      -8.515022      7.089198      1.295001
  C      -8.391517      5.874262      0.680605
  C      -9.461891      5.383199     -0.107655
  C      -9.313157      4.192881     -0.783047
  C      -8.098934      3.479330     -0.654745
  N      -7.090935      3.874594      0.107912
  C      -7.221825      5.054473      0.765831
  C      -6.530243      2.119756      6.290576
  C      -6.988213      3.589133      6.405544
  C      -8.342991      3.857091      5.767654
  O      -8.310913      3.309777      4.432176
  C      -9.446480      3.300405      3.710155
  C     -10.574568      4.071476      3.945832
  C     -11.676969      3.957509      3.065160
  N     -11.754816      3.136332      2.032118
  C     -10.663574      2.339769      1.813291
  C     -10.688879      1.394756      0.761093
  C      -9.586012      0.591196      0.546886
  C      -8.454007      0.734652      1.385620
  N      -8.391217      1.594515      2.384762
  C      -9.471936      2.387405      2.604042
  H      -2.930222     -1.856064      4.530560
  H      -3.838722     -0.699163      3.546315
  H      -0.801947     -0.576173      3.465671
  H      -1.618741     -1.849792      2.548522
  H      -1.150563      0.317378      1.235605
  H      -2.398489      1.090248      2.240327
  H      -5.149965     -1.575015      0.167579
  H      -6.759594     -0.588100     -1.457484
  H      -5.210016      3.575741     -2.541336
  H      -3.181596      4.937663     -1.921525
  H      -1.527421      3.939509     -0.345215
  H      -2.391683      5.664668      4.560071
  H      -3.499786      5.497232      5.925963
  H      -4.994451      5.938224      4.266719
  H      -5.024818      4.172148      4.204650
  H      -3.232609      4.293582      2.362796
  H      -3.575735      6.043189      2.256961
  H      -5.444350      7.247581      2.707893
  H      -7.542123      8.498393      2.437735
  H     -10.375730      5.974180     -0.166748
  H     -10.113475      3.793850     -1.408219
  H      -7.940987      2.545908     -1.203351
  H      -7.142177      1.490119      6.969760
  H      -6.709837      1.774929      5.264256
  H      -6.231120      4.225115      5.921318
  H      -7.042614      3.904959      7.462518
  H      -8.541421      4.940685      5.725802
  H      -9.161716      3.368150      6.321675
  H     -10.620425      4.773094      4.775169
  H     -12.550965      4.594875      3.237935
  H     -11.588111      1.332354      0.142637
  H      -9.570353     -0.142802     -0.257520
  H      -7.558423      0.120223      1.226484
  N      -4.563830      1.843921      3.760639
  N      -5.135566      1.598427      2.687040
  H      -5.575078      2.442631      2.248765
101
Coordinates from ORCA-job orca E -6484.307925678408
  N      -2.659051      0.179648      5.063563
  Mo     -3.623135      1.913554      5.289888
  N      -5.113674      1.925924      6.578369
  C      -4.783929      2.000504      7.997947
  C      -3.440144      1.336378      8.251987
  N      -2.452250      1.793103      7.250451
  C      -1.359911      0.824271      7.033145
  C      -1.843596     -0.316554      6.153764
  C      -1.929464      3.152876      7.521917
  C      -1.552871      3.780999      6.189137
  N      -2.686699      3.695491      5.257930
  H      -0.967814     -0.850115      5.772124
  H      -2.411323     -1.055098      6.744210
  H      -0.555072      1.359224      6.518061
  H      -0.961432      0.458161      7.992024
  H      -1.248632      4.829120      6.353359
  H      -0.666587      3.273078      5.772331
  H      -2.736409      3.737745      7.975088
  H      -1.085971      3.117517      8.234591
  H      -5.552956      1.484000      8.598593
  H      -4.763242      3.046788      8.357588
  H      -3.554372      0.252357      8.123677
  H      -3.075351      1.527470      9.276427
  C      -2.856084     -0.850566      4.067824
  C      -1.740588     -0.849791      3.018060
  C      -2.040844      0.106361      1.876815
  O      -3.071396     -0.553107      1.070824
  C      -3.875175      0.111612      0.215197
  C      -4.983096     -0.590586     -0.236351
  C      -5.870311     -0.000488     -1.153030
  N      -5.752142      1.221563     -1.659283
  C      -4.664435      1.918678     -1.250913
  C      -4.463853      3.212778     -1.781116
  C      -3.334206      3.913028     -1.430109
  C      -2.392897      3.311455     -0.535950
  N      -2.542993      2.117822      0.002239
  C      -3.666395      1.419753     -0.326209
  C      -3.215218      5.026167      4.958663
  C      -4.409014      5.050934      4.007783
  C      -4.000273      5.062542      2.545032
  O      -5.079653      4.705931      1.654353
  C      -6.129315      5.536563      1.538841
  C      -6.236090      6.802128      2.103415
  C      -7.436960      7.527457      1.943020
  N      -8.505271      7.110939      1.272339
  C      -8.393148      5.892931      0.655887
  C      -9.474632      5.406021     -0.125118
  C      -9.334510      4.213018     -0.802874
  C      -8.127913      3.489559     -0.674075
  N      -7.114694      3.879509      0.087664
  C      -7.229383      5.063889      0.739035
  C      -6.530449      2.102837      6.283079
  C      -7.000732      3.557555      6.415144
  C      -8.359590      3.836400      5.791892
  O      -8.323108      3.305285      4.463097
  C      -9.437398      3.299110      3.729350
  C     -10.561604      4.071936      3.972744
  C     -11.652395      3.969130      3.088317
  N     -11.718654      3.158876      2.033174
  C     -10.633600      2.358239      1.801993
  C     -10.662452      1.422358      0.728812
  C      -9.585069      0.610144      0.513216
  C      -8.472418      0.729553      1.372779
  N      -8.401249      1.584019      2.391348
  C      -9.459601      2.390930      2.608401
  H      -2.887334     -1.833844      4.559693
  H      -3.826664     -0.700912      3.576539
  H      -0.781031     -0.552983      3.498383
  H      -1.587516     -1.866164      2.602246
  H      -1.147641      0.296059      1.252035
  H      -2.429307      1.078528      2.240497
  H      -5.153371     -1.598367      0.147240
  H      -6.738829     -0.570662     -1.479848
  H      -5.213923      3.610912     -2.468443
  H      -3.146007      4.907545     -1.827897
  H      -1.472938      3.844447     -0.259987
  H      -2.407238      5.674798      4.551758
  H      -3.528057      5.509064      5.910544
  H      -5.023768      5.928999      4.241845
  H      -5.031850      4.162969      4.183696
  H      -3.243648      4.292880      2.357707
  H      -3.593438      6.041925      2.242213
  H      -5.420556      7.244879      2.680238
  H      -7.513939      8.515454      2.416620
  H     -10.392067      6.001781     -0.171398
  H     -10.143022      3.815998     -1.421945
  H      -7.984835      2.549057     -1.214157
  H      -7.140661      1.464543      6.946063
  H      -6.708884      1.772480      5.255899
  H      -6.250448      4.200173      5.938647
  H      -7.052018      3.854868      7.467738
  H      -8.551202      4.918965      5.761646
  H      -9.182345      3.350757      6.340024
  H     -10.617930      4.765371      4.819096
  H     -12.534006      4.601285      3.278353
  H     -11.554142      1.374232      0.103650
  H      -9.575911     -0.117263     -0.306723
  H      -7.608177      0.102193      1.223572
  N      -4.573962      1.847829      3.760207
  N      -5.155977      1.593685      2.687220
  H      -5.597845      2.399809      2.229434
101
Coordinates from ORCA-job orca E -6484.310858601039
  N      -2.674268      0.166819      5.088747
  Mo     -3.622591      1.906691      5.310525
  N      -5.118613      1.929189      6.599918
  C      -4.795945      2.010815      8.023769
  C      -3.456564      1.334102      8.285424
  N      -2.461444      1.780174      7.280935
  C      -1.374630      0.794993      7.074547
  C      -1.860746     -0.342513      6.192318
  C      -1.929427      3.137995      7.550005
  C      -1.539847      3.765561      6.214092
  N      -2.673081      3.687986      5.282030
  H      -0.972691     -0.884763      5.813286
  H      -2.438914     -1.084270      6.785809
  H      -0.554567      1.319978      6.564920
  H      -0.990922      0.423532      8.041944
  H      -1.231782      4.814190      6.377908
  H      -0.653435      3.248735      5.797877
  H      -2.736400      3.734262      8.001300
  H      -1.088181      3.093095      8.267543
  H      -5.571967      1.502038      8.627600
  H      -4.770836      3.061865      8.377116
  H      -3.577468      0.248547      8.160971
  H      -3.094201      1.526960      9.311632
  C      -2.878963     -0.853269      4.051583
  C      -1.764023     -0.839351      2.982702
  C      -2.047660      0.141542      1.856889
  O      -3.075327     -0.499004      1.053889
  C      -3.879497      0.143550      0.187302
  C      -4.980032     -0.586065     -0.252472
  C      -5.863843     -0.028166     -1.177742
  N      -5.749508      1.189139     -1.704639
  C      -4.669944      1.916374     -1.308132
  C      -4.482718      3.211416     -1.857242
  C      -3.366041      3.944763     -1.514891
  C      -2.431842      3.379662     -0.612062
  N      -2.571904      2.186856     -0.056155
  C      -3.678616      1.451665     -0.375589
  C      -3.187022      5.029153      4.965515
  C      -4.379851      5.064502      4.014737
  C      -3.972855      5.067054      2.546387
  O      -5.067314      4.717887      1.663472
  C      -6.119029      5.546999      1.546756
  C      -6.237017      6.813158      2.097049
  C      -7.440083      7.524549      1.926808
  N      -8.499320      7.095930      1.261163
  C      -8.378594      5.877529      0.661568
  C      -9.451584      5.376349     -0.113261
  C      -9.307020      4.180122     -0.769150
  C      -8.096480      3.472091     -0.634408
  N      -7.086906      3.876977      0.116231
  C      -7.212176      5.061454      0.754400
  C      -6.534787      2.107564      6.300936
  C      -6.999205      3.571824      6.418569
  C      -8.353214      3.843928      5.783270
  O      -8.317487      3.301062      4.453752
  C      -9.439928      3.294236      3.722116
  C     -10.563617      4.067974      3.956109
  C     -11.661518      3.957513      3.073810
  N     -11.736802      3.138598      2.035754
  C     -10.649189      2.340082      1.815053
  C     -10.674114      1.399877      0.753846
  C      -9.576970      0.595453      0.536327
  C      -8.453668      0.729114      1.384366
  N      -8.391289      1.585050      2.393367
  C      -9.464687      2.382167      2.612168
  H      -2.934495     -1.855229      4.529520
  H      -3.842043     -0.688560      3.555105
  H      -0.810263     -0.568390      3.454190
  H      -1.629983     -1.841913      2.546513
  H      -1.165079      0.331360      1.226323
  H      -2.420702      1.104128      2.233603
  H      -5.146549     -1.590430      0.149164
  H      -6.726912     -0.618570     -1.496223
  H      -5.240172      3.587546     -2.548300
  H      -3.191940      4.941766     -1.924851
  H      -1.526310      3.939161     -0.339936
  H      -2.371354      5.667404      4.550274
  H      -3.495824      5.525140      5.916371
  H      -4.981014      5.954807      4.248699
  H      -5.017608      4.185056      4.195768
  H      -3.223052      4.283655      2.348650
  H      -3.550189      6.043517      2.242526
  H      -5.430932      7.266886      2.667409
  H      -7.525136      8.512096      2.386284
  H     -10.366480      5.962757     -0.173646
  H     -10.110932      3.770856     -1.380197
  H      -7.945596      2.532942     -1.162970
  H      -7.148187      1.474746      6.973745
  H      -6.711157      1.767233      5.274464
  H      -6.243570      4.208744      5.939054
  H      -7.056483      3.881778      7.472043
  H      -8.550481      4.926112      5.741818
  H      -9.173403      3.358321      6.334232
  H     -10.610965      4.769275      4.788741
  H     -12.535407      4.594031      3.249794
  H     -11.568334      1.344678      0.130937
  H      -9.558934     -0.133320     -0.278129
  H      -7.565615      0.112051      1.224713
  N      -4.564785      1.856457      3.779368
  N      -5.139116      1.609193      2.707600
  H      -5.574013      2.431630      2.260863
101
Coordinates from ORCA-job orca E -6484.307808763122
  N      -2.665239      0.172837      5.070700
  Mo     -3.618083      1.910345      5.282479
  N      -5.110110      1.930742      6.574949
  C      -4.785022      2.020598      8.000061
  C      -3.445084      1.346766      8.264174
  N      -2.455706      1.792321      7.257125
  C      -1.366398      0.812322      7.051609
  C      -1.848193     -0.330318      6.174282
  C      -1.927334      3.151324      7.524209
  C      -1.555470      3.783983      6.196389
  N      -2.686309      3.692559      5.266155
  H      -0.959200     -0.876780      5.793031
  H      -2.420417     -1.070796      6.772623
  H      -0.551142      1.339563      6.539408
  H      -0.978833      0.446371      8.021437
  H      -1.262173      4.827364      6.370381
  H      -0.672933      3.286319      5.775172
  H      -2.729172      3.740808      7.982545
  H      -1.082288      3.112307      8.236215
  H      -5.557486      1.512940      8.607498
  H      -4.761482      3.073630      8.348998
  H      -3.562169      0.260243      8.143680
  H      -3.082703      1.546694      9.290867
  C      -2.864431     -0.852550      4.057222
  C      -1.744250     -0.860200      3.011020
  C      -2.012715      0.105476      1.878299
  O      -3.031214     -0.525787      1.051692
  C      -3.816392      0.117540      0.186127
  C      -4.944966     -0.588090     -0.244465
  C      -5.861229     -0.002706     -1.144729
  N      -5.728868      1.205030     -1.666646
  C      -4.613650      1.906783     -1.283264
  C      -4.421567      3.202294     -1.822377
  C      -3.324779      3.940118     -1.472007
  C      -2.412095      3.380002     -0.576232
  N      -2.539386      2.177272     -0.035666
  C      -3.618262      1.429912     -0.364581
  C      -3.213048      5.011301      4.966417
  C      -4.400638      5.038859      4.015136
  C      -3.980327      5.053956      2.555826
  O      -5.056621      4.696979      1.668495
  C      -6.106292      5.535001      1.554642
  C      -6.207998      6.810643      2.111658
  C      -7.414011      7.541769      1.957216
  N      -8.489445      7.122447      1.299724
  C      -8.381570      5.897546      0.686474
  C      -9.468560      5.413407     -0.091005
  C      -9.331422      4.216328     -0.775740
  C      -8.112140      3.485456     -0.662819
  N      -7.092222      3.871635      0.095868
  C      -7.211294      5.060353      0.760122
  C      -6.525408      2.106433      6.284909
  C      -6.977891      3.582708      6.391868
  C      -8.344121      3.833679      5.764990
  O      -8.330393      3.268142      4.423002
  C      -9.483236      3.273553      3.711987
  C     -10.602885      4.057308      3.949581
  C     -11.709064      3.957013      3.070299
  N     -11.798246      3.139267      2.039118
  C     -10.715020      2.333485      1.819613
  C     -10.746635      1.393821      0.766601
  C      -9.642990      0.582884      0.545484
  C      -8.504733      0.716865      1.378295
  N      -8.437891      1.569607      2.378472
  C      -9.519319      2.366372      2.605912
  H      -2.915910     -1.832438      4.547500
  H      -3.831431     -0.697231      3.547615
  H      -0.789620     -0.586434      3.498453
  H      -1.610545     -1.863089      2.580326
  H      -1.130676      0.279691      1.265806
  H      -2.377414      1.063336      2.249164
  H      -5.133117     -1.576431      0.155979
  H      -6.768173     -0.560608     -1.448100
  H      -5.178454      3.584171     -2.505230
  H      -3.161290      4.943884     -1.868524
  H      -1.530440      3.945892     -0.295940
  H      -2.416630      5.655434      4.562839
  H      -3.516046      5.482418      5.912577
  H      -5.010440      5.917409      4.247918
  H      -5.024257      4.156505      4.186465
  H      -3.225428      4.286662      2.370214
  H      -3.569788      6.029816      2.255424
  H      -5.386323      7.258958      2.673322
  H      -7.485575      8.536264      2.423885
  H     -10.383146      6.015944     -0.140017
  H     -10.143054      3.825399     -1.397352
  H      -7.961327      2.545945     -1.224095
  H      -7.133718      1.479917      6.973815
  H      -6.711197      1.752909      5.261626
  H      -6.220902      4.215884      5.887222
  H      -7.018820      3.918644      7.454713
  H      -8.547777      4.918286      5.716309
  H      -9.157900      3.343409      6.340141
  H     -10.636541      4.758630      4.774549
  H     -12.570193      4.605386      3.239299
  H     -11.647254      1.339764      0.150438
  H      -9.630814     -0.147761     -0.260006
  H      -7.603597      0.097739      1.208975
  N      -4.563002      1.840723      3.747739
  N      -5.138098      1.584887      2.678784
  H      -5.584107      2.426235      2.241530
101
Coordinates from ORCA-job orca E -6484.311535415984
  N      -2.669390      0.172807      5.082020
  Mo     -3.617851      1.912767      5.300114
  N      -5.112518      1.932546      6.589809
  C      -4.788830      2.016890      8.013844
  C      -3.448922      1.341250      8.276224
  N      -2.455403      1.786732      7.270600
  C      -1.367999      0.803480      7.062973
  C      -1.854456     -0.334648      6.182698
  C      -1.923037      3.144100      7.539430
  C      -1.540830      3.775379      6.206778
  N      -2.674522      3.693862      5.276368
  H      -0.968568     -0.877879      5.802035
  H      -2.430345     -1.075194      6.777027
  H      -0.550481      1.329496      6.551020
  H      -0.981276      0.433452      8.030177
  H      -1.238394      4.822203      6.375372
  H      -0.654843      3.266672      5.787629
  H      -2.727084      3.737958      7.995218
  H      -1.079303      3.099704      8.253364
  H      -5.563590      1.508588      8.618927
  H      -4.763931      3.068396      8.365488
  H      -3.568639      0.255408      8.153992
  H      -3.086480      1.537034      9.302290
  C      -2.873136     -0.850367      4.056604
  C      -1.755666     -0.846487      2.997098
  C      -2.038759      0.127033      1.866820
  O      -3.064353     -0.513385      1.057554
  C      -3.861966      0.130763      0.191143
  C      -4.971377     -0.588059     -0.248429
  C      -5.861349     -0.020001     -1.166479
  N      -5.740929      1.194762     -1.688697
  C      -4.651936      1.911534     -1.292427
  C      -4.464480      3.207903     -1.833904
  C      -3.356692      3.941496     -1.483670
  C      -2.426098      3.372537     -0.583320
  N      -2.562451      2.175787     -0.036525
  C      -3.660206      1.439797     -0.363900
  C      -3.188917      5.028384      4.964032
  C      -4.382825      5.061847      4.015991
  C      -3.973900      5.061619      2.549697
  O      -5.065625      4.709073      1.669730
  C      -6.114052      5.543865      1.554911
  C      -6.222133      6.813574      2.109019
  C      -7.420366      7.538903      1.939892
  N      -8.483742      7.119363      1.272947
  C      -8.372922      5.896822      0.669510
  C      -9.448831      5.407464     -0.110806
  C      -9.312296      4.208638     -0.775297
  C      -8.105917      3.484890     -0.643304
  N      -7.093237      3.878814      0.112690
  C      -7.211384      5.066643      0.759570
  C      -6.528245      2.107620      6.291430
  C      -6.993184      3.573861      6.400709
  C      -8.353752      3.831117      5.770529
  O      -8.326624      3.280273      4.437287
  C      -9.459924      3.276950      3.713425
  C     -10.584175      4.053327      3.952463
  C     -11.686656      3.946611      3.073578
  N     -11.766350      3.128944      2.035778
  C     -10.678775      2.328801      1.811133
  C     -10.709404      1.388358      0.752709
  C      -9.614373      0.580184      0.534760
  C      -8.483460      0.714054      1.374878
  N      -8.414426      1.569986      2.379478
  C      -9.488850      2.367654      2.602896
  H      -2.925236     -1.843848      4.540176
  H      -3.838717     -0.690121      3.556370
  H      -0.799780     -0.570729      3.473643
  H      -1.619285     -1.852164      2.565656
  H      -1.156776      0.311211      1.242054
  H      -2.410577      1.089566      2.238438
  H      -5.146697     -1.587155      0.150158
  H      -6.735781     -0.598786     -1.483565
  H      -5.218891      3.587158     -2.523427
  H      -3.185963      4.941310     -1.885967
  H      -1.525393      3.931282     -0.305817
  H      -2.376491      5.664615      4.548871
  H      -3.492232      5.520696      5.913349
  H      -4.984241      5.951330      4.247723
  H      -5.018367      4.183056      4.197973
  H      -3.225290      4.280808      2.356958
  H      -3.552881      6.035743      2.242565
  H      -5.411306      7.260286      2.680855
  H      -7.497287      8.529748      2.402046
  H     -10.356888      6.006305     -0.172939
  H     -10.116610      3.810624     -1.394586
  H      -7.959132      2.544188     -1.183997
  H      -7.139321      1.477889      6.969831
  H      -6.705876      1.760003      5.266607
  H      -6.241792      4.211136      5.909053
  H      -7.043469      3.894231      7.455413
  H      -8.558287      4.912463      5.725896
  H      -9.167565      3.340776      6.331637
  H     -10.628022      4.752916      4.785580
  H     -12.559056      4.585542      3.251799
  H     -11.608803      1.332484      0.135441
  H      -9.603527     -0.151033     -0.273946
  H      -7.595361      0.094761      1.212845
  N      -4.563461      1.852276      3.768086
  N      -5.141342      1.600159      2.698768
  H      -5.583044      2.429524      2.255440
101
Coordinates from ORCA-job orca E -6484.310901679825
  N      -2.664470      0.172494      5.085941
  Mo     -3.627708      1.905876      5.310590
  N      -5.119559      1.908250      6.601963
  C      -4.793328      1.991367      8.025071
  C      -3.447471      1.330038      8.283694
  N      -2.461813      1.789456      7.279881
  C      -1.366425      0.816847      7.069279
  C      -1.843443     -0.327464      6.188502
  C      -1.944989      3.151322      7.554344
  C      -1.569989      3.787582      6.224150
  N      -2.698454      3.693211      5.287680
  H      -0.952073     -0.865562      5.806671
  H      -2.412220     -1.071636      6.786141
  H      -0.554735      1.350476      6.557997
  H      -0.975820      0.449894      8.035860
  H      -1.282955      4.837805      6.396302
  H      -0.676108      3.291479      5.807662
  H      -2.755519      3.735136      8.010025
  H      -1.101447      3.115248      8.270216
  H      -5.561319      1.474382      8.628776
  H      -4.777510      3.041106      8.380432
  H      -3.556268      0.244512      8.156015
  H      -3.084903      1.525091      9.309891
  C      -2.869519     -0.851142      4.055612
  C      -1.759075     -0.844530      2.985739
  C      -2.029186      0.138537      1.862286
  O      -3.052838     -0.492930      1.051799
  C      -3.850984      0.150837      0.185414
  C      -4.960225     -0.568542     -0.251517
  C      -5.860251      0.003534     -1.169205
  N      -5.741278      1.218627     -1.695058
  C      -4.646541      1.932003     -1.303336
  C      -4.449682      3.222353     -1.852541
  C      -3.333028      3.951707     -1.509775
  C      -2.411364      3.388481     -0.605910
  N      -2.551413      2.194955     -0.052408
  C      -3.651547      1.459859     -0.374356
  C      -3.217818      5.022951      4.956325
  C      -4.400197      5.042139      3.994940
  C      -3.976385      5.048038      2.536659
  O      -5.051963      4.696286      1.642341
  C      -6.094057      5.535436      1.508480
  C      -6.193683      6.813321      2.041746
  C      -7.393630      7.538639      1.869633
  N      -8.467786      7.110815      1.217986
  C      -8.363776      5.880370      0.633331
  C      -9.457237      5.377321     -0.121058
  C      -9.332909      4.166776     -0.759060
  C      -8.117343      3.449507     -0.630816
  N      -7.091256      3.855350      0.104352
  C      -7.199487      5.051039      0.726964
  C      -6.536697      2.080479      6.308921
  C      -6.999689      3.542120      6.432741
  C      -8.359257      3.816748      5.810685
  O      -8.330537      3.257171      4.482928
  C      -9.454534      3.273240      3.752139
  C     -10.561763      4.063878      3.991357
  C     -11.656561      3.979649      3.105566
  N     -11.742111      3.172910      2.056920
  C     -10.669635      2.360119      1.829421
  C     -10.700280      1.437825      0.749516
  C      -9.616537      0.618908      0.522279
  C      -8.498219      0.723559      1.377579
  N      -8.428988      1.563755      2.402406
  C      -9.490937      2.372870      2.631786
  H      -2.925478     -1.847710      4.537215
  H      -3.834436     -0.686078      3.560386
  H      -0.807672     -0.584359      3.456732
  H      -1.636285     -1.841402      2.546056
  H      -1.141391      0.328092      1.233309
  H      -2.399001      1.099461      2.246148
  H      -5.131714     -1.569253      0.150077
  H      -6.737957     -0.575175     -1.483563
  H      -5.204300      3.600906     -2.542198
  H      -3.155859      4.947834     -1.918328
  H      -1.513052      3.948617     -0.331311
  H      -2.409549      5.659807      4.543094
  H      -3.531146      5.519855      5.897886
  H      -5.014817      5.922199      4.216632
  H      -5.024265      4.157599      4.169821
  H      -3.223650      4.273501      2.355996
  H      -3.560155      6.022804      2.234533
  H      -5.375463      7.266260      2.601955
  H      -7.464019      8.536258      2.317034
  H     -10.373442      5.973522     -0.177783
  H     -10.157636      3.752978     -1.349385
  H      -7.981128      2.500221     -1.145989
  H      -7.145315      1.445399      6.980952
  H      -6.717994      1.742271      5.284872
  H      -6.244678      4.175856      5.947995
  H      -7.049222      3.853776      7.485462
  H      -8.551114      4.905307      5.763596
  H      -9.182277      3.338980      6.375338
  H     -10.597558      4.759017      4.829012
  H     -12.516261      4.630224      3.284571
  H     -11.586023      1.408379      0.118335
  H      -9.604400     -0.098924     -0.304952
  H      -7.618505      0.095437      1.208549
  N      -4.573810      1.846827      3.780245
  N      -5.153577      1.586538      2.711976
  H      -5.591303      2.403308      2.259728
101
Coordinates from ORCA-job orca E -6484.311694384037
  N      -2.667386      0.176613      5.084447
  Mo     -3.621170      1.913392      5.308894
  N      -5.114264      1.918759      6.599411
  C      -4.789254      2.002405      8.022348
  C      -3.446358      1.333127      8.280927
  N      -2.456670      1.786747      7.276213
  C      -1.365285      0.809779      7.063826
  C      -1.847905     -0.328742      6.181220
  C      -1.930755      3.145278      7.549669
  C      -1.550900      3.782680      6.220270
  N      -2.682012      3.695370      5.286949
  H      -0.960934     -0.866084      5.797637
  H      -2.418812     -1.073169      6.774944
  H      -0.551165      1.341200      6.553224
  H      -0.975973      0.438896      8.028807
  H      -1.257321      4.831731      6.393161
  H      -0.659682      3.282992      5.801883
  H      -2.737466      3.733088      8.006789
  H      -1.086935      3.103106      8.263184
  H      -5.560685      1.489492      8.627007
  H      -4.768333      3.053007      8.376079
  H      -3.561469      0.247572      8.154937
  H      -3.083127      1.527026      9.306616
  C      -2.873169     -0.845669      4.061072
  C      -1.757397     -0.842094      3.000244
  C      -2.035144      0.135858      1.872472
  O      -3.056746     -0.502161      1.057142
  C      -3.854594      0.145798      0.193137
  C      -4.959573     -0.575190     -0.252511
  C      -5.851936     -0.003253     -1.170462
  N      -5.735119      1.215791     -1.687278
  C      -4.647976      1.933404     -1.285830
  C      -4.457919      3.230440     -1.824360
  C      -3.345811      3.961485     -1.472719
  C      -2.420798      3.393451     -0.570774
  N      -2.558214      2.195524     -0.026423
  C      -3.656214      1.459322     -0.356704
  C      -3.186810      5.030900      4.951268
  C      -4.375277      5.058680      3.996908
  C      -3.960247      5.048284      2.532596
  O      -5.052351      4.700314      1.650673
  C      -6.089423      5.547265      1.521426
  C      -6.178072      6.827453      2.051569
  C      -7.369713      7.561715      1.876019
  N      -8.444856      7.140985      1.224265
  C      -8.352183      5.908146      0.643154
  C      -9.443024      5.414723     -0.117512
  C      -9.325975      4.204081     -0.758797
  C      -8.123312      3.475201     -0.624849
  N      -7.098534      3.872340      0.115107
  C      -7.197992      5.069592      0.740293
  C      -6.530263      2.087091      6.301598
  C      -6.998260      3.552766      6.402308
  C      -8.361145      3.808301      5.777020
  O      -8.342916      3.245462      4.452800
  C      -9.472629      3.253401      3.728095
  C     -10.588139      4.036321      3.971048
  C     -11.693095      3.939487      3.095033
  N     -11.783970      3.125165      2.056075
  C     -10.704065      2.319967      1.825653
  C     -10.744549      1.385848      0.761409
  C      -9.651435      0.576528      0.529575
  C      -8.516466      0.700684      1.365635
  N      -8.440987      1.549296      2.378531
  C      -9.511034      2.349376      2.612972
  H      -2.926332     -1.838664      4.544877
  H      -3.838132     -0.682565      3.563256
  H      -0.801406     -0.569911      3.477285
  H      -1.624123     -1.846867      2.566054
  H      -1.149082      0.324350      1.250246
  H      -2.409320      1.096974      2.248353
  H      -5.130157     -1.579292      0.140898
  H      -6.723112     -0.584657     -1.492993
  H      -5.214811      3.612787     -2.513060
  H      -3.174097      4.962375     -1.872626
  H      -1.524320      3.953918     -0.289426
  H      -2.368947      5.656360      4.530466
  H      -3.491881      5.538462      5.892358
  H      -4.978105      5.949758      4.218902
  H      -5.011363      4.180820      4.181878
  H      -3.216295      4.259779      2.346430
  H      -3.530353      6.018894      2.222351
  H      -5.356958      7.275775      2.610303
  H      -7.431313      8.561046      2.319505
  H     -10.348238      6.019853     -0.181507
  H     -10.143618      3.800873     -1.360628
  H      -7.991731      2.526405     -1.147241
  H      -7.138794      1.460094      6.984523
  H      -6.708097      1.732090      5.278873
  H      -6.248497      4.186818      5.904506
  H      -7.045478      3.879486      7.455124
  H      -8.562118      4.889132      5.721812
  H      -9.173745      3.328178      6.346086
  H     -10.623894      4.733609      4.806081
  H     -12.558827      4.583051      3.277418
  H     -11.646405      1.338588      0.147222
  H      -9.646387     -0.149154     -0.286259
  H      -7.630494      0.080522      1.192532
  N      -4.570586      1.853858      3.780242
  N      -5.153962      1.595033      2.715658
  H      -5.601005      2.416079      2.269071
101
Coordinates from ORCA-job orca E -6484.311005042267
  N      -2.667395      0.171579      5.086721
  Mo     -3.614427      1.912459      5.300202
  N      -5.111745      1.926800      6.590588
  C      -4.790148      2.021695      8.016119
  C      -3.448921      1.347952      8.283901
  N      -2.454671      1.790270      7.274208
  C      -1.366688      0.803854      7.070323
  C      -1.852425     -0.337817      6.194037
  C      -1.923325      3.150892      7.539035
  C      -1.541433      3.784137      6.203441
  N      -2.674818      3.696506      5.274873
  H      -0.960903     -0.887395      5.815432
  H      -2.432350     -1.077835      6.794532
  H      -0.547568      1.327945      6.555817
  H      -0.981463      0.436180      8.040737
  H      -1.246479      4.834772      6.372455
  H      -0.651029      3.279957      5.783291
  H      -2.728686      3.747292      7.995819
  H      -1.079266      3.106514      8.253421
  H      -5.565020      1.516034      8.626160
  H      -4.767423      3.077641      8.360399
  H      -3.565971      0.259406      8.168263
  H      -3.088395      1.550874      9.310517
  C      -2.872383     -0.849333      4.055182
  C      -1.750942     -0.845948      2.997493
  C      -2.031583      0.129679      1.868199
  O      -3.051585     -0.508320      1.050410
  C      -3.848042      0.139750      0.187419
  C      -4.958201     -0.575689     -0.259227
  C      -5.831804     -0.012337     -1.181629
  N      -5.705149      1.200786     -1.698193
  C      -4.623947      1.919990     -1.292055
  C      -4.440347      3.221210     -1.825508
  C      -3.337639      3.955835     -1.467948
  C      -2.399449      3.378154     -0.571524
  N      -2.536717      2.179171     -0.029797
  C      -3.637828      1.446818     -0.362089
  C      -3.175656      5.027014      4.942422
  C      -4.377308      5.049898      4.001532
  C      -3.978784      5.046342      2.532894
  O      -5.073936      4.693984      1.658483
  C      -6.121975      5.528083      1.547852
  C      -6.229899      6.799071      2.099341
  C      -7.428126      7.527514      1.932255
  N      -8.489684      7.111036      1.267740
  C      -8.377982      5.886569      0.665797
  C      -9.450137      5.400316     -0.114420
  C      -9.310656      4.198454     -0.780450
  C      -8.104584      3.468174     -0.650228
  N      -7.096479      3.860166      0.106953
  C      -7.217676      5.051206      0.755120
  C      -6.528700      2.102748      6.293808
  C      -6.987837      3.570885      6.395892
  C      -8.352833      3.827406      5.777653
  O      -8.340747      3.248640      4.452516
  C      -9.476527      3.263822      3.732584
  C     -10.600923      4.041899      3.988792
  C     -11.705533      3.952097      3.112346
  N     -11.784837      3.151286      2.058845
  C     -10.697711      2.350254      1.816650
  C     -10.731836      1.425078      0.742880
  C      -9.651779      0.605649      0.520741
  C      -8.525163      0.718680      1.365859
  N      -8.446818      1.563860      2.378372
  C      -9.510853      2.368808      2.609647
  H      -2.931700     -1.843807      4.536726
  H      -3.836354     -0.686217      3.550906
  H      -0.793975     -0.570293      3.476055
  H      -1.613965     -1.852793      2.565019
  H      -1.149007      0.314865      1.250055
  H      -2.405067      1.090093      2.238863
  H      -5.140695     -1.572024      0.134298
  H      -6.700998     -0.592412     -1.507598
  H      -5.191221      3.601679     -2.515474
  H      -3.167569      4.957812     -1.865371
  H      -1.492452      3.932168     -0.292039
  H      -2.360222      5.648797      4.513285
  H      -3.466192      5.535516      5.885578
  H      -4.981667      5.935059      4.231679
  H      -5.007066      4.170416      4.190009
  H      -3.232977      4.269157      2.338225
  H      -3.561893      6.015171      2.222592
  H      -5.419634      7.245534      2.666742
  H      -7.504825      8.519408      2.391990
  H     -10.355880      6.005252     -0.178651
  H     -10.110937      3.803191     -1.399598
  H      -7.954566      2.524512     -1.196172
  H      -7.140833      1.478180      6.977673
  H      -6.710386      1.749826      5.273246
  H      -6.235865      4.199055      5.894763
  H      -7.030692      3.901379      7.446828
  H      -8.551171      4.913157      5.716864
  H      -9.166908      3.352128      6.358669
  H     -10.644366      4.728245      4.834110
  H     -12.579759      4.590633      3.306870
  H     -11.627052      1.385789      0.122120
  H      -9.649936     -0.118702     -0.294125
  H      -7.649779      0.089847      1.200968
  N      -4.560528      1.843284      3.769476
  N      -5.145690      1.578487      2.705545
  H      -5.600212      2.399396      2.260860
101
Coordinates from ORCA-job orca E -6484.311864737358
  N      -2.660963      0.181529      5.088530
  Mo     -3.615380      1.918670      5.310530
  N      -5.111723      1.918692      6.597798
  C      -4.789698      2.002273      8.021595
  C      -3.445181      1.335274      8.283985
  N      -2.454412      1.790861      7.281039
  C      -1.360186      0.816649      7.069316
  C      -1.839721     -0.321932      6.185379
  C      -1.932073      3.149374      7.557905
  C      -1.552691      3.791447      6.229794
  N      -2.682587      3.701757      5.293419
  H      -0.951963     -0.855900      5.801195
  H      -2.407639     -1.067265      6.777578
  H      -0.547862      1.350657      6.558712
  H      -0.969559      0.446471      8.034739
  H      -1.266353      4.840575      6.407039
  H      -0.656704      3.298271      5.811816
  H      -2.741687      3.735127      8.015739
  H      -1.087933      3.106948      8.273709
  H      -5.561512      1.488436      8.624458
  H      -4.771302      3.052457      8.375221
  H      -3.557026      0.249600      8.158828
  H      -3.084723      1.530949      9.310724
  C      -2.867384     -0.842057      4.059108
  C      -1.752378     -0.840296      2.996024
  C      -2.030558      0.138546      1.868597
  O      -3.053158     -0.498520      1.054961
  C      -3.851123      0.147209      0.188536
  C      -4.954547     -0.573569     -0.258547
  C      -5.842860     -0.004006     -1.179986
  N      -5.724304      1.213376     -1.698073
  C      -4.640154      1.931388     -1.293852
  C      -4.450214      3.228230     -1.832094
  C      -3.344217      3.961454     -1.475600
  C      -2.417232      3.391346     -0.572511
  N      -2.554692      2.193787     -0.028318
  C      -3.651273      1.458595     -0.361769
  C      -3.182297      5.034064      4.949143
  C      -4.371163      5.059704      3.995294
  C      -3.955250      5.038197      2.531384
  O      -5.049537      4.689453      1.654224
  C      -6.084480      5.538728      1.527643
  C      -6.171090      6.818374      2.062972
  C      -7.356742      7.561682      1.883276
  N      -8.428540      7.149000      1.225637
  C      -8.340550      5.913754      0.644182
  C      -9.429089      5.427087     -0.120452
  C      -9.317923      4.211908     -0.759160
  C      -8.122221      3.472312     -0.620697
  N      -7.097393      3.865115      0.119758
  C      -7.192405      5.066069      0.744249
  C      -6.528250      2.088042      6.295757
  C      -6.995708      3.553943      6.390920
  C      -8.363404      3.802356      5.773357
  O      -8.353319      3.231784      4.449505
  C      -9.488268      3.244170      3.729252
  C     -10.604995      4.028550      3.979704
  C     -11.713883      3.936193      3.107977
  N     -11.805939      3.126162      2.064957
  C     -10.725025      2.320672      1.826529
  C     -10.770144      1.389621      0.760006
  C      -9.684361      0.573982      0.528435
  C      -8.546987      0.692504      1.361824
  N      -8.463716      1.540047      2.373278
  C      -9.530359      2.343633      2.611516
  H      -2.924403     -1.838429      4.540806
  H      -3.832870     -0.677333      3.561097
  H      -0.797401     -0.574397      3.469323
  H      -1.624590     -1.841986      2.563263
  H      -1.145802      0.325861      1.246685
  H      -2.403792      1.100205      2.243247
  H      -5.126044     -1.576101      0.135267
  H      -6.710715     -0.586454     -1.505601
  H      -5.198273      3.606256     -2.525181
  H      -3.169728      4.960527     -1.875798
  H      -1.516445      3.949074     -0.290515
  H      -2.362623      5.652025      4.524595
  H      -3.483236      5.547754      5.885971
  H      -4.971961      5.954034      4.210809
  H      -5.009200      4.184337      4.185276
  H      -3.216074      4.245620      2.349879
  H      -3.520777      6.004232      2.214670
  H      -5.353427      7.259419      2.629307
  H      -7.416199      8.561595      2.329032
  H     -10.326434      6.041348     -0.191514
  H     -10.133398      3.813908     -1.364123
  H      -7.995218      2.520084     -1.143961
  H      -7.139438      1.463065      6.978396
  H      -6.704811      1.732110      5.274594
  H      -6.249117      4.185958      5.884878
  H      -7.037581      3.886388      7.441575
  H      -8.568063      4.882798      5.715267
  H      -9.171776      3.322318      6.351493
  H     -10.639594      4.722047      4.818350
  H     -12.581043      4.579545      3.297367
  H     -11.673696      1.346279      0.148289
  H      -9.686780     -0.152117     -0.285436
  H      -7.665543      0.067813      1.186847
  N      -4.565265      1.852192      3.781069
  N      -5.152710      1.587729      2.719313
  H      -5.603149      2.408987      2.273354
101
Coordinates from ORCA-job orca E -6484.311429329239
  N      -2.672454      0.181227      5.083552
  Mo     -3.620306      1.920151      5.312416
  N      -5.111866      1.917311      6.605512
  C      -4.784063      2.004069      8.028168
  C      -3.439266      1.336532      8.283678
  N      -2.450547      1.789307      7.274234
  C      -1.362771      0.807951      7.055817
  C      -1.854624     -0.332625      6.181526
  C      -1.918727      3.147957      7.546929
  C      -1.544877      3.793032      6.219361
  N      -2.677343      3.704777      5.290868
  H      -0.968224     -0.883941      5.797532
  H      -2.434536     -1.072935      6.784775
  H      -0.550415      1.336898      6.536827
  H      -0.968703      0.437562      8.019284
  H      -1.255832      4.844987      6.396475
  H      -0.652787      3.300250      5.794844
  H      -2.719167      3.735024      8.012874
  H      -1.071826      3.100951      8.251636
  H      -5.553397      1.490068      8.636548
  H      -4.763607      3.056524      8.380189
  H      -3.553862      0.249385      8.160920
  H      -3.074350      1.533151      9.308028
  C      -2.889217     -0.838455      4.068156
  C      -1.772150     -0.845291      3.009868
  C      -2.043295      0.133085      1.882092
  O      -3.067119     -0.498775      1.062011
  C      -3.851247      0.156743      0.190182
  C      -4.949497     -0.564846     -0.277719
  C      -5.825988      0.007082     -1.210327
  N      -5.703234      1.228921     -1.719813
  C      -4.624163      1.949066     -1.293979
  C      -4.432569      3.251645     -1.820305
  C      -3.330452      3.987589     -1.441835
  C      -2.423855      3.422905     -0.523044
  N      -2.562636      2.219217      0.009198
  C      -3.647396      1.475018     -0.348381
  C      -3.169687      5.041367      4.936801
  C      -4.360958      5.059678      3.983472
  C      -3.950273      5.044949      2.518329
  O      -5.043680      4.697907      1.635903
  C      -6.076913      5.547673      1.499926
  C      -6.159749      6.831719      2.018029
  C      -7.345398      7.572441      1.831172
  N      -8.421079      7.153661      1.181073
  C      -8.335927      5.913457      0.616521
  C      -9.431573      5.417005     -0.133973
  C      -9.326764      4.193293     -0.750225
  C      -8.128202      3.458499     -0.607707
  N      -7.097647      3.861170      0.119967
  C      -7.187868      5.068215      0.725209
  C      -6.528355      2.075108      6.308499
  C      -7.006829      3.536301      6.405380
  C      -8.374920      3.779860      5.790753
  O      -8.357746      3.217732      4.465553
  C      -9.487776      3.231017      3.743297
  C     -10.588016      4.029459      3.982877
  C     -11.696207      3.940291      3.112104
  N     -11.801506      3.122295      2.077491
  C     -10.733255      2.307496      1.845360
  C     -10.782431      1.379887      0.773898
  C      -9.692290      0.566946      0.529107
  C      -8.555698      0.678504      1.364183
  N      -8.475109      1.519254      2.386965
  C      -9.539273      2.325234      2.630282
  H      -2.947032     -1.824833      4.556296
  H      -3.853959     -0.670160      3.570431
  H      -0.809459     -0.571260      3.491404
  H      -1.640681     -1.857905      2.574145
  H      -1.153490      0.317420      1.262106
  H      -2.412462      1.096330      2.259223
  H      -5.124264     -1.572139      0.107123
  H      -6.689262     -0.577424     -1.553084
  H      -5.188828      3.638589     -2.518702
  H      -3.163739      4.996139     -1.829209
  H      -1.547873      3.993548     -0.213824
  H      -2.345392      5.655705      4.504747
  H      -3.469550      5.566463      5.873385
  H      -4.967521      5.947134      4.200930
  H      -4.993204      4.181421      4.172226
  H      -3.207778      4.257968      2.332020
  H      -3.522538      6.011466      2.207476
  H      -5.339247      7.278201      2.577288
  H      -7.401692      8.576124      2.262939
  H     -10.332283      6.029635     -0.207395
  H     -10.151373      3.783965     -1.338693
  H      -8.007243      2.499771     -1.110895
  H      -7.131667      1.446579      6.992876
  H      -6.705537      1.716098      5.287058
  H      -6.267346      4.173097      5.899816
  H      -7.049380      3.866016      7.454780
  H      -8.587927      4.860962      5.737743
  H      -9.178955      3.290772      6.365928
  H     -10.609604      4.733334      4.812484
  H     -12.550246      4.593999      3.293166
  H     -11.683856      1.344598      0.159962
  H      -9.691890     -0.152280     -0.296091
  H      -7.670989      0.057274      1.178451
  N      -4.573465      1.861317      3.788844
  N      -5.165056      1.594135      2.731457
  H      -5.616899      2.406207      2.279135
101
Coordinates from ORCA-job orca E -6484.312114040398
  N      -2.667559      0.183533      5.089063
  Mo     -3.620869      1.919974      5.317017
  N      -5.113231      1.908540      6.608132
  C      -4.786632      1.993125      8.030785
  C      -3.439508      1.330381      8.286865
  N      -2.453177      1.790844      7.281162
  C      -1.358811      0.818706      7.061558
  C      -1.841286     -0.321298      6.180385
  C      -1.931385      3.150055      7.560094
  C      -1.558976      3.799608      6.234699
  N      -2.688452      3.705641      5.300524
  H      -0.954537     -0.856244      5.791422
  H      -2.406567     -1.068147      6.776285
  H      -0.550535      1.355225      6.546670
  H      -0.962342      0.448501      8.024195
  H      -1.280366      4.851283      6.416627
  H      -0.660403      3.315622      5.812776
  H      -2.738307      3.731775      8.024927
  H      -1.084433      3.106542      8.269618
  H      -5.554467      1.476099      8.636598
  H      -4.769682      3.043854      8.385068
  H      -3.548807      0.244219      8.160571
  H      -3.076137      1.525974      9.312282
  C      -2.882319     -0.838992      4.068399
  C      -1.770458     -0.841664      3.002237
  C      -2.042787      0.144350      1.879035
  O      -3.065866     -0.482878      1.062104
  C      -3.851192      0.167878      0.191200
  C      -4.951852     -0.551432     -0.270844
  C      -5.825150      0.017237     -1.201723
  N      -5.700857      1.236065     -1.712657
  C      -4.624137      1.956458     -1.290920
  C      -4.435715      3.259147     -1.818374
  C      -3.336128      3.995617     -1.444693
  C      -2.418046      3.424990     -0.533502
  N      -2.556040      2.222424      0.001095
  C      -3.645427      1.482499     -0.349697
  C      -3.176926      5.039027      4.934464
  C      -4.360979      5.058933      3.975029
  C      -3.939470      5.028773      2.513284
  O      -5.032561      4.683999      1.632815
  C      -6.054896      5.546674      1.488352
  C      -6.117487      6.839850      1.991502
  C      -7.294577      7.594658      1.800467
  N      -8.379624      7.180941      1.159693
  C      -8.314075      5.932039      0.608898
  C      -9.418162      5.442052     -0.135144
  C      -9.330301      4.211317     -0.743454
  C      -8.140939      3.462256     -0.597613
  N      -7.103309      3.858333      0.125448
  C      -7.176080      5.072553      0.722056
  C      -6.529845      2.067087      6.308927
  C      -7.003102      3.531042      6.397819
  C      -8.375047      3.770776      5.787288
  O      -8.368502      3.196491      4.465039
  C      -9.501519      3.213875      3.744507
  C     -10.613251      4.003937      3.996790
  C     -11.724780      3.916125      3.129090
  N     -11.822741      3.106567      2.086383
  C     -10.745139      2.298344      1.843552
  C     -10.795259      1.371334      0.773651
  C      -9.712726      0.553245      0.536062
  C      -8.574417      0.664656      1.367918
  N      -8.486707      1.508090      2.382815
  C      -9.549121      2.314912      2.625890
  H      -2.939064     -1.832654      4.552993
  H      -3.848695     -0.670443      3.575631
  H      -0.810785     -0.578699      3.474629
  H      -1.647267     -1.847228      2.565064
  H      -1.156567      0.331192      1.256255
  H      -2.410176      1.105107      2.259084
  H      -5.129766     -1.554411      0.116361
  H      -6.688287     -0.566437     -1.541459
  H      -5.184488      3.641448     -2.515920
  H      -3.166385      5.001283     -1.835235
  H      -1.528229      3.988596     -0.234218
  H      -2.351043      5.646060      4.503755
  H      -3.478661      5.568381      5.863882
  H      -4.962740      5.953855      4.181413
  H      -4.999505      4.185427      4.167564
  H      -3.204261      4.231135      2.338343
  H      -3.498518      5.990652      2.194573
  H      -5.287116      7.283438      2.541331
  H      -7.334715      8.605593      2.220403
  H     -10.308851      6.066606     -0.214890
  H     -10.159081      3.808840     -1.330759
  H      -8.032014      2.498849     -1.098881
  H      -7.135867      1.442611      6.996124
  H      -6.707234      1.703878      5.289722
  H      -6.261901      4.162618      5.883039
  H      -7.039734      3.870662      7.447586
  H      -8.585614      4.851138      5.726704
  H      -9.177943      3.288707      6.371831
  H     -10.642220      4.698139      4.834998
  H     -12.589462      4.562053      3.322204
  H     -11.699550      1.333648      0.163860
  H      -9.720040     -0.170493     -0.279851
  H      -7.696802      0.037497      1.188645
  N      -4.573498      1.857490      3.790268
  N      -5.166004      1.586457      2.733937
  H      -5.617108      2.405817      2.284392
101
Coordinates from ORCA-job orca E -6484.311764737094
  N      -2.650380      0.190939      5.092455
  Mo     -3.608831      1.925896      5.318301
  N      -5.108285      1.907090      6.603006
  C      -4.790093      1.997328      8.027530
  C      -3.442730      1.335773      8.293595
  N      -2.452011      1.795163      7.290720
  C      -1.353466      0.823877      7.079424
  C      -1.829678     -0.314521      6.194891
  C      -1.934820      3.155205      7.570969
  C      -1.554916      3.806707      6.245082
  N      -2.682211      3.709951      5.305188
  H      -0.936514     -0.849409      5.813553
  H      -2.400953     -1.060868      6.788378
  H      -0.542215      1.360952      6.568211
  H      -0.962031      0.454087      8.045655
  H      -1.282722      4.859073      6.429671
  H      -0.649078      3.326972      5.827947
  H      -2.748712      3.737601      8.030278
  H      -1.090601      3.112675      8.288555
  H      -5.560944      1.482004      8.631857
  H      -4.776576      3.049699      8.377788
  H      -3.548906      0.248725      8.170591
  H      -3.084978      1.535210      9.320982
  C      -2.856407     -0.829975      4.054635
  C      -1.734882     -0.832174      3.000933
  C      -2.010194      0.144134      1.872989
  O      -3.025545     -0.498537      1.045770
  C      -3.830048      0.155607      0.186231
  C      -4.923033     -0.568579     -0.273418
  C      -5.822932      0.012367     -1.188890
  N      -5.715875      1.239029     -1.692654
  C      -4.636733      1.957560     -1.276677
  C      -4.444502      3.255874     -1.803632
  C      -3.339172      3.987297     -1.437849
  C      -2.416845      3.415573     -0.535418
  N      -2.552586      2.214451     -0.002832
  C      -3.645755      1.478839     -0.346660
  C      -3.155768      5.039008      4.924038
  C      -4.348317      5.057019      3.973047
  C      -3.940112      5.006243      2.506134
  O      -5.049135      4.665023      1.641559
  C      -6.068854      5.530072      1.508634
  C      -6.131486      6.818860      2.022965
  C      -7.302247      7.581820      1.833417
  N      -8.380316      7.180086      1.185451
  C      -8.316426      5.933486      0.626544
  C      -9.412303      5.456216     -0.127338
  C      -9.323891      4.227226     -0.746696
  C      -8.143558      3.465678     -0.600391
  N      -7.112360      3.851594      0.130331
  C      -7.185483      5.065065      0.737137
  C      -6.524938      2.070067      6.296419
  C      -6.992454      3.538086      6.363944
  C      -8.368242      3.776770      5.762333
  O      -8.383125      3.173993      4.454361
  C      -9.521441      3.203930      3.740814
  C     -10.629622      3.995389      4.005757
  C     -11.745066      3.920051      3.141372
  N     -11.854219      3.119054      2.093150
  C     -10.783012      2.308221      1.839425
  C     -10.846444      1.388161      0.763970
  C      -9.767729      0.568828      0.511067
  C      -8.620612      0.672132      1.333830
  N      -8.521113      1.508245      2.354419
  C      -9.579960      2.315363      2.613054
  H      -2.923750     -1.824493      4.534465
  H      -3.818709     -0.662143      3.546873
  H      -0.781366     -0.568293      3.482683
  H      -1.607075     -1.831591      2.568614
  H      -1.121616      0.335248      1.263790
  H      -2.392351      1.103947      2.245997
  H      -5.081114     -1.581408      0.106164
  H      -6.685635     -0.571899     -1.525062
  H      -5.182151      3.631759     -2.498221
  H      -3.159097      4.984658     -1.830505
  H      -1.516617      3.972497     -0.244592
  H      -2.324797      5.628985      4.483203
  H      -3.443694      5.581909      5.846224
  H      -4.943489      5.959143      4.174467
  H      -4.992170      4.188240      4.179905
  H      -3.216136      4.197569      2.327752
  H      -3.489140      5.959394      2.174854
  H      -5.306777      7.252961      2.580237
  H      -7.342659      8.589640      2.261109
  H     -10.294744      6.090369     -0.209826
  H     -10.143375      3.836222     -1.344918
  H      -8.034563      2.502541     -1.113530
  H      -7.136828      1.457196      6.991151
  H      -6.700761      1.694670      5.281523
  H      -6.251051      4.157975      5.835794
  H      -7.022421      3.892423      7.407143
  H      -8.569528      4.856531      5.681776
  H      -9.170007      3.315402      6.363986
  H     -10.653679      4.680769      4.851988
  H     -12.603140      4.568671      3.342701
  H     -11.757099      1.356752      0.161500
  H      -9.783738     -0.148880     -0.312069
  H      -7.744994      0.044821      1.140651
  N      -4.568319      1.847873      3.795867
  N      -5.172246      1.569133      2.746837
  H      -5.643952      2.374335      2.299456
101
Coordinates from ORCA-job orca E -6484.312384708726
  N      -2.653074      0.193551      5.094938
  Mo     -3.611980      1.927119      5.325389
  N      -5.109242      1.900163      6.611348
  C      -4.787695      1.985606      8.034621
  C      -3.437523      1.328418      8.295122
  N      -2.450415      1.794833      7.292772
  C      -1.350017      0.828897      7.073205
  C      -1.825928     -0.309878      6.187784
  C      -1.935649      3.154163      7.577639
  C      -1.562538      3.812467      6.256000
  N      -2.689093      3.712650      5.316348
  H      -0.935875     -0.838962      5.800060
  H      -2.389732     -1.059349      6.780626
  H      -0.544056      1.370912      6.560407
  H      -0.952500      0.458479      8.035624
  H      -1.297040      4.865208      6.445532
  H      -0.654997      3.341497      5.836306
  H      -2.747907      3.730567      8.042311
  H      -1.089181      3.111393      8.290376
  H      -5.555295      1.465654      8.637638
  H      -4.776229      3.035627      8.389233
  H      -3.540921      0.242208      8.168074
  H      -3.077944      1.524937      9.321844
  C      -2.865617     -0.827437      4.066272
  C      -1.751548     -0.827952      3.001888
  C      -2.027696      0.158216      1.879609
  O      -3.046234     -0.474306      1.057998
  C      -3.842208      0.173952      0.192291
  C      -4.942331     -0.546931     -0.263569
  C      -5.824240      0.022084     -1.189185
  N      -5.705638      1.241170     -1.700602
  C      -4.627308      1.961131     -1.284952
  C      -4.441939      3.263047     -1.814050
  C      -3.341484      3.999791     -1.447009
  C      -2.417569      3.428670     -0.541646
  N      -2.553023      2.227551     -0.004818
  C      -3.642991      1.488114     -0.349309
  C      -3.159989      5.042269      4.925572
  C      -4.347463      5.057359      3.969330
  C      -3.929783      5.002992      2.507020
  O      -5.030761      4.662531      1.636010
  C      -6.041791      5.535560      1.487862
  C      -6.090358      6.831953      1.985393
  C      -7.254595      7.603615      1.786937
  N      -8.340463      7.202270      1.146661
  C      -8.290598      5.947308      0.604721
  C      -9.398206      5.468005     -0.135722
  C      -9.326400      4.229340     -0.734408
  C      -8.149407      3.462033     -0.583212
  N      -7.108256      3.849640      0.135668
  C      -7.166002      5.070971      0.724037
  C      -6.526078      2.057451      6.304720
  C      -6.998944      3.522642      6.370490
  C      -8.377757      3.753224      5.771217
  O      -8.391895      3.152357      4.461776
  C      -9.527976      3.184323      3.745292
  C     -10.631344      3.981239      4.006083
  C     -11.746165      3.908285      3.141698
  N     -11.857270      3.105994      2.095131
  C     -10.788959      2.291724      1.843417
  C     -10.852213      1.373087      0.766479
  C      -9.774301      0.551250      0.512694
  C      -8.629530      0.650015      1.337586
  N      -8.530450      1.484677      2.360172
  C      -9.587847      2.294710      2.618962
  H      -2.926498     -1.823490      4.547393
  H      -3.830802     -0.657354      3.570036
  H      -0.793200     -0.566559      3.474819
  H      -1.627910     -1.830650      2.565191
  H      -1.139507      0.352045      1.261796
  H      -2.403982      1.117457      2.260588
  H      -5.113855     -1.550999      0.123758
  H      -6.686910     -0.562937     -1.525429
  H      -5.196158      3.645675     -2.507164
  H      -3.172728      5.004772     -1.838864
  H      -1.525611      3.991883     -0.247830
  H      -2.326319      5.628575      4.481919
  H      -3.450380      5.592823      5.844862
  H      -4.943917      5.959524      4.163552
  H      -4.990775      4.189356      4.175074
  H      -3.206975      4.193700      2.339361
  H      -3.475932      5.954262      2.175177
  H      -5.259430      7.265470      2.537345
  H      -7.283725      8.617941      2.201562
  H     -10.277584      6.107976     -0.222355
  H     -10.157815      3.835079     -1.319421
  H      -8.053851      2.491986     -1.079081
  H      -7.135478      1.443026      6.998472
  H      -6.700768      1.680929      5.290274
  H      -6.262224      4.144708      5.837702
  H      -7.025985      3.879403      7.413829
  H      -8.585720      4.831147      5.691876
  H      -9.174800      3.286521      6.374202
  H     -10.652372      4.668829      4.849560
  H     -12.601433      4.560279      3.340739
  H     -11.760791      1.345313      0.162473
  H      -9.789598     -0.165604     -0.311806
  H      -7.754673      0.020029      1.143548
  N      -4.570208      1.854238      3.802217
  N      -5.175342      1.572823      2.754681
  H      -5.640465      2.381945      2.306134
101
Coordinates from ORCA-job orca E -6484.312385899434
  N      -2.665186      0.196145      5.091519
  Mo     -3.620031      1.930121      5.332685
  N      -5.111828      1.893881      6.623156
  C      -4.783279      1.976266      8.045468
  C      -3.430367      1.321858      8.296658
  N      -2.447679      1.793524      7.291017
  C      -1.350074      0.827756      7.058483
  C      -1.833029     -0.311689      6.177047
  C      -1.929740      3.152447      7.579510
  C      -1.567579      3.820547      6.261625
  N      -2.695717      3.721387      5.327754
  H      -0.945894     -0.845560      5.782803
  H      -2.395683     -1.061682      6.774861
  H      -0.549289      1.371715      6.538693
  H      -0.943640      0.456114      8.016308
  H      -1.306101      4.875044      6.456776
  H      -0.661419      3.356958      5.833310
  H      -2.735311      3.724935      8.056183
  H      -1.078620      3.105210      8.281656
  H      -5.546445      1.451879      8.651163
  H      -4.772021      3.026069      8.403310
  H      -3.532530      0.235201      8.167533
  H      -3.067052      1.516915      9.321895
  C      -2.892062     -0.824291      4.075022
  C      -1.787053     -0.835307      3.002643
  C      -2.055819      0.154430      1.882252
  O      -3.084381     -0.463784      1.065492
  C      -3.859251      0.189627      0.186142
  C      -4.951398     -0.531432     -0.288278
  C      -5.820800      0.038895     -1.227574
  N      -5.696926      1.260177     -1.736333
  C      -4.626345      1.981896     -1.300644
  C      -4.432653      3.284036     -1.824400
  C      -3.341901      4.025056     -1.433611
  C      -2.436139      3.458425     -0.510777
  N      -2.575256      2.254063      0.018883
  C      -3.655937      1.508708     -0.348283
  C      -3.164509      5.054107      4.928747
  C      -4.345446      5.067834      3.964499
  C      -3.916630      5.011578      2.505924
  O      -5.011308      4.672940      1.624365
  C      -6.016397      5.551989      1.457400
  C      -6.053179      6.858405      1.926823
  C      -7.213550      7.633079      1.712612
  N      -8.306709      7.225519      1.082523
  C      -8.268188      5.959535      0.569230
  C      -9.385924      5.470125     -0.154072
  C      -9.328312      4.217477     -0.718600
  C      -8.152492      3.449511     -0.555361
  N      -7.102075      3.847045      0.146713
  C      -7.147905      5.080016      0.705946
  C      -6.529134      2.039163      6.320970
  C      -7.012187      3.501828      6.391667
  C      -8.389804      3.723808      5.791820
  O      -8.386214      3.144762      4.469393
  C      -9.519131      3.173729      3.749056
  C     -10.624038      3.974797      4.005878
  C     -11.742676      3.896025      3.146043
  N     -11.849336      3.088869      2.101981
  C     -10.775483      2.274954      1.850552
  C     -10.836235      1.352911      0.778154
  C      -9.765337      0.523170      0.539532
  C      -8.624655      0.620299      1.369422
  N      -8.524790      1.460099      2.383738
  C      -9.577448      2.277253      2.630162
  H      -2.951670     -1.814967      4.562036
  H      -3.860352     -0.649873      3.588042
  H      -0.821161     -0.580988      3.470932
  H      -1.675773     -1.842230      2.562357
  H      -1.171061      0.335917      1.258404
  H      -2.414284      1.115294      2.266613
  H      -5.126703     -1.537655      0.094827
  H      -6.677532     -0.546730     -1.579130
  H      -5.164467      3.658495     -2.533652
  H      -3.167015      5.029614     -1.820328
  H      -1.552429      4.025378     -0.196540
  H      -2.327436      5.640004      4.485787
  H      -3.461025      5.610406      5.846477
  H      -4.942565      5.969834      4.152213
  H      -4.990432      4.201738      4.166641
  H      -3.193811      4.200283      2.346545
  H      -3.458533      5.961291      2.178095
  H      -5.215660      7.298069      2.467885
  H      -7.232856      8.655851      2.103627
  H     -10.262718      6.112182     -0.252689
  H     -10.170421      3.812449     -1.285094
  H      -8.067745      2.469193     -1.025174
  H      -7.132748      1.417804      7.014012
  H      -6.703042      1.663590      5.305047
  H      -6.282061      4.130176      5.859171
  H      -7.041313      3.857317      7.436024
  H      -8.616368      4.804030      5.728903
  H      -9.180848      3.233189      6.387313
  H     -10.644593      4.668403      4.844751
  H     -12.605867      4.546426      3.347946
  H     -11.742557      1.325908      0.171150
  H      -9.784158     -0.199497     -0.274131
  H      -7.755745     -0.016552      1.187474
  N      -4.575358      1.869411      3.809738
  N      -5.178663      1.586785      2.763813
  H      -5.630688      2.403287      2.309739
101
Coordinates from ORCA-job orca E -6484.312784776735
  N      -2.654802      0.204987      5.095543
  Mo     -3.616440      1.935240      5.339174
  N      -5.110555      1.883321      6.626870
  C      -4.785618      1.967810      8.049730
  C      -3.430172      1.319121      8.303333
  N      -2.448522      1.797184      7.299915
  C      -1.344720      0.837815      7.067697
  C      -1.820748     -0.301153      6.182452
  C      -1.938877      3.157619      7.593334
  C      -1.576034      3.832928      6.278021
  N      -2.700552      3.726778      5.338655
  H      -0.929497     -0.829351      5.788943
  H      -2.381034     -1.054394      6.778104
  H      -0.545936      1.387055      6.550278
  H      -0.937775      0.466128      8.025807
  H      -1.327455      4.888989      6.479319
  H      -0.661248      3.381220      5.852574
  H      -2.750428      3.725297      8.068983
  H      -1.088525      3.112746      8.299231
  H      -5.547608      1.440522      8.654473
  H      -4.779472      3.017925      8.407431
  H      -3.526516      0.232061      8.173149
  H      -3.069398      1.515104      9.329647
  C      -2.879329     -0.814829      4.073102
  C      -1.773089     -0.821679      3.001088
  C      -2.047184      0.171400      1.883657
  O      -3.071415     -0.451930      1.063950
  C      -3.854688      0.200702      0.190058
  C      -4.949866     -0.520154     -0.280552
  C      -5.819917      0.048034     -1.217405
  N      -5.697797      1.268790     -1.724838
  C      -4.627972      1.992032     -1.291277
  C      -4.439906      3.296241     -1.813177
  C      -3.347518      4.037074     -1.426306
  C      -2.434735      3.467986     -0.509093
  N      -2.571332      2.263590      0.020258
  C      -3.653941      1.519305     -0.343176
  C      -3.154392      5.054275      4.917167
  C      -4.332856      5.065307      3.950857
  C      -3.902686      4.984378      2.493516
  O      -5.004175      4.650412      1.619289
  C      -5.993765      5.544336      1.442937
  C      -6.004614      6.858046      1.893959
  C      -7.149964      7.651360      1.670973
  N      -8.252083      7.254853      1.049854
  C      -8.239597      5.980479      0.555499
  C      -9.367313      5.501725     -0.158591
  C      -9.333742      4.240612     -0.708378
  C      -8.173462      3.453575     -0.538219
  N      -7.114605      3.841365      0.156571
  C      -7.136030      5.082446      0.701034
  C      -6.527456      2.024690      6.320972
  C      -7.009082      3.486193      6.375442
  C      -8.395235      3.701705      5.789606
  O      -8.414311      3.100004      4.479447
  C      -9.549188      3.137804      3.762755
  C     -10.648778      3.941738      4.025172
  C     -11.764794      3.875428      3.163481
  N     -11.877711      3.075878      2.114410
  C     -10.811213      2.258594      1.857839
  C     -10.877306      1.345478      0.776474
  C      -9.806466      0.516836      0.522660
  C      -8.663262      0.604935      1.349459
  N      -8.560491      1.435015      2.374697
  C      -9.612015      2.251154      2.634743
  H      -2.940206     -1.808512      4.556848
  H      -3.847599     -0.640508      3.584572
  H      -0.807973     -0.568565      3.468767
  H      -1.661117     -1.825987      2.559769
  H      -1.161450      0.362019      1.262876
  H      -2.414859      1.130239      2.270437
  H      -5.123903     -1.525979      0.101734
  H      -6.676604     -0.538846     -1.567857
  H      -5.181021      3.674293     -2.517365
  H      -3.177050      5.043753     -1.811280
  H      -1.550457      4.035217     -0.197828
  H      -2.312113      5.622241      4.470055
  H      -3.445475      5.624228      5.822124
  H      -4.924621      5.974484      4.124843
  H      -4.983650      4.205310      4.163157
  H      -3.192135      4.159304      2.343698
  H      -3.429145      5.923842      2.153207
  H      -5.157397      7.289791      2.427019
  H      -7.148604      8.680374      2.046663
  H     -10.229943      6.159664     -0.265714
  H     -10.181718      3.844426     -1.270696
  H      -8.107243      2.466629     -1.000061
  H      -7.131017      1.411529      7.019784
  H      -6.701418      1.637695      5.310156
  H      -6.282663      4.105859      5.826398
  H      -7.025908      3.855536      7.415172
  H      -8.615757      4.778958      5.711606
  H      -9.182329      3.227073      6.402475
  H     -10.666286      4.629091      4.869260
  H     -12.619040      4.530019      3.367133
  H     -11.785290      1.325491      0.172319
  H      -9.826963     -0.198064     -0.301554
  H      -7.795085     -0.031298      1.155689
  N      -4.578885      1.864566      3.819402
  N      -5.193073      1.573511      2.781324
  H      -5.657967      2.382685      2.327182
101
Coordinates from ORCA-job orca E -6484.312830537871
  N      -2.639511      0.217406      5.100604
  Mo     -3.614819      1.939977      5.354984
  N      -5.111530      1.858948      6.638591
  C      -4.787946      1.937727      8.060702
  C      -3.424710      1.302751      8.312173
  N      -2.447366      1.798708      7.314160
  C      -1.332212      0.856204      7.070566
  C      -1.797483     -0.280452      6.177920
  C      -1.953123      3.160063      7.620512
  C      -1.594433      3.852846      6.310830
  N      -2.714239      3.739163      5.364036
  H      -0.908708     -0.789844      5.779424
  H      -2.342535     -1.040458      6.764589
  H      -0.545945      1.420807      6.552951
  H      -0.913119      0.484561      8.022758
  H      -1.367820      4.911015      6.525230
  H      -0.666042      3.423097      5.885874
  H      -2.773569      3.715143      8.100156
  H      -1.101950      3.116774      8.329713
  H      -5.544681      1.399296      8.660677
  H      -4.792377      2.984038      8.425194
  H      -3.508109      0.216742      8.175747
  H      -3.067287      1.496919      9.339533
  C      -2.863431     -0.805198      4.073259
  C      -1.763025     -0.807980      2.993800
  C      -2.042056      0.187940      1.882081
  O      -3.067698     -0.436808      1.063370
  C      -3.852475      0.213255      0.189036
  C      -4.947821     -0.508687     -0.275232
  C      -5.821551      0.056084     -1.211630
  N      -5.699518      1.273694     -1.724638
  C      -4.627403      1.996813     -1.295672
  C      -4.445890      3.302209     -1.818890
  C      -3.358833      4.048455     -1.432043
  C      -2.444455      3.482766     -0.514881
  N      -2.576279      2.278371      0.015836
  C      -3.653182      1.528955     -0.347407
  C      -3.144007      5.063157      4.909069
  C      -4.324716      5.065182      3.943655
  C      -3.895829      4.952496      2.487521
  O      -5.002882      4.624721      1.618718
  C      -5.979243      5.528832      1.430881
  C      -5.975969      6.848809      1.862918
  C      -7.109733      7.656914      1.625995
  N      -8.212439      7.268729      1.009909
  C      -8.214031      5.984686      0.536716
  C      -9.345884      5.510075     -0.165476
  C      -9.322198      4.237007     -0.699080
  C      -8.170904      3.432154     -0.518588
  N      -7.113271      3.817328      0.171545
  C      -7.122796      5.070913      0.695988
  C      -6.530673      2.000043      6.328747
  C      -7.009303      3.465615      6.359804
  C      -8.400400      3.677200      5.788516
  O      -8.426626      3.067297      4.485773
  C      -9.558850      3.124956      3.766129
  C     -10.648381      3.940456      4.032176
  C     -11.764696      3.892479      3.169407
  N     -11.891197      3.098758      2.118170
  C     -10.837426      2.270476      1.859469
  C     -10.918751      1.363449      0.775899
  C      -9.853086      0.527274      0.511509
  C      -8.704866      0.599261      1.334827
  N      -8.590543      1.421519      2.364191
  C      -9.633959      2.246315      2.632545
  H      -2.920225     -1.802164      4.554213
  H      -3.836550     -0.634330      3.590730
  H      -0.797537     -0.561773      3.456095
  H      -1.658015     -1.806583      2.548050
  H      -1.157415      0.384756      1.258869
  H      -2.412499      1.144439      2.277421
  H      -5.120719     -1.512434      0.111516
  H      -6.680638     -0.530835     -1.557632
  H      -5.199852      3.682682     -2.520039
  H      -3.196792      5.059066     -1.815353
  H      -1.567939      4.056459     -0.200663
  H      -2.288982      5.605123      4.443920
  H      -3.421979      5.665540      5.802338
  H      -4.909549      5.982209      4.098878
  H      -4.982765      4.213769      4.172154
  H      -3.200634      4.114920      2.350966
  H      -3.406876      5.875370      2.133173
  H      -5.128069      7.275079      2.391658
  H      -7.098022      8.691912      1.985905
  H     -10.203658      6.180997     -0.278158
  H     -10.172244      3.844413     -1.253839
  H      -8.114975      2.432842     -0.968000
  H      -7.140510      1.396925      7.035428
  H      -6.702932      1.599758      5.323610
  H      -6.285946      4.071088      5.789788
  H      -7.015984      3.856153      7.391003
  H      -8.626823      4.752726      5.707104
  H      -9.180282      3.205897      6.409028
  H     -10.658337      4.622662      4.880633
  H     -12.609264      4.555858      3.376371
  H     -11.830014      1.356075      0.174854
  H      -9.879809     -0.180952     -0.319666
  H      -7.839728     -0.042871      1.130883
  N      -4.581220      1.857727      3.839078
  N      -5.208600      1.552892      2.810969
  H      -5.682008      2.347406      2.351758
101
Coordinates from ORCA-job orca E -6484.313317355009
  N      -2.631139      0.230422      5.103022
  Mo     -3.609216      1.949637      5.365614
  N      -5.106844      1.851854      6.647544
  C      -4.785113      1.930807      8.070275
  C      -3.419374      1.300378      8.321386
  N      -2.443437      1.802731      7.324195
  C      -1.325443      0.862622      7.078462
  C      -1.789476     -0.274340      6.185640
  C      -1.952273      3.163481      7.636406
  C      -1.600353      3.869233      6.335235
  N      -2.716822      3.749278      5.385323
  H      -0.892751     -0.790003      5.788799
  H      -2.341844     -1.036118      6.777160
  H      -0.539115      1.429496      6.560930
  H      -0.906397      0.489444      8.031076
  H      -1.388529      4.926696      6.561036
  H      -0.666691      3.458183      5.909329
  H      -2.771524      3.710214      8.122161
  H      -1.099153      3.119398      8.340667
  H      -5.539884      1.388493      8.669289
  H      -4.794060      2.976795      8.436338
  H      -3.498472      0.213970      8.182637
  H      -3.062996      1.493598      9.349484
  C      -2.860134     -0.786906      4.075255
  C      -1.763683     -0.789279      2.993010
  C      -2.052024      0.209650      1.883191
  O      -3.077820     -0.416061      1.068792
  C      -3.869788      0.229977      0.196905
  C      -4.966117     -0.493588     -0.258531
  C      -5.845094      0.068603     -1.191739
  N      -5.727370      1.285274     -1.708716
  C      -4.654988      2.009897     -1.287859
  C      -4.473536      3.312000     -1.816800
  C      -3.381929      4.057226     -1.439798
  C      -2.461751      3.492734     -0.528154
  N      -2.592763      2.291484      0.008238
  C      -3.674602      1.543825     -0.344582
  C      -3.131053      5.069009      4.907949
  C      -4.308024      5.071309      3.938806
  C      -3.875469      4.936326      2.486737
  O      -4.984242      4.614678      1.620419
  C      -5.940673      5.535006      1.414671
  C      -5.907268      6.861950      1.823910
  C      -7.020511      7.690528      1.569945
  N      -8.133359      7.314679      0.962476
  C      -8.167630      6.021588      0.515827
  C      -9.316728      5.556349     -0.168267
  C      -9.329581      4.272706     -0.669662
  C      -8.195405      3.450072     -0.479389
  N      -7.120907      3.826170      0.192803
  C      -7.096842      5.088674      0.690194
  C      -6.524551      1.981920      6.333121
  C      -7.009400      3.444582      6.341369
  C      -8.408372      3.638312      5.778918
  O      -8.453127      3.007373      4.484317
  C      -9.586138      3.071605      3.765258
  C     -10.673250      3.890233      4.033313
  C     -11.785282      3.853975      3.165635
  N     -11.908997      3.069743      2.105769
  C     -10.858215      2.237805      1.844744
  C     -10.937488      1.339141      0.751837
  C      -9.878995      0.496297      0.488209
  C      -8.736439      0.555473      1.318535
  N      -8.621921      1.371016      2.354742
  C      -9.660757      2.200568      2.624623
  H      -2.917239     -1.783515      4.555909
  H      -3.832351     -0.612548      3.594464
  H      -0.793621     -0.542218      3.450298
  H      -1.659072     -1.790655      2.547100
  H      -1.170258      0.411907      1.258011
  H      -2.425496      1.163976      2.279807
  H      -5.134770     -1.496717      0.131890
  H      -6.702400     -0.520565     -1.532560
  H      -5.226328      3.688004     -2.515585
  H      -3.217074      5.064097     -1.827880
  H      -1.577299      4.063583     -0.223951
  H      -2.269822      5.592780      4.438811
  H      -3.403681      5.686151      5.789057
  H      -4.885709      5.995626      4.079835
  H      -4.973117      4.228031      4.174706
  H      -3.193100      4.086942      2.363785
  H      -3.370584      5.847891      2.122687
  H      -5.050132      7.278219      2.347598
  H      -6.983996      8.732016      1.909902
  H     -10.159349      6.241504     -0.290472
  H     -10.196025      3.885795     -1.207267
  H      -8.167941      2.443521     -0.903900
  H      -7.129848      1.386997      7.047969
  H      -6.694238      1.564313      5.332771
  H      -6.295648      4.044233      5.751486
  H      -7.004445      3.852923      7.367836
  H      -8.636581      4.710076      5.682164
  H      -9.179446      3.174969      6.416771
  H     -10.684630      4.566174      4.887004
  H     -12.626995      4.520131      3.374630
  H     -11.844004      1.341448      0.145651
  H      -9.906276     -0.207425     -0.347868
  H      -7.876754     -0.092515      1.115248
  N      -4.581303      1.866526      3.852793
  N      -5.216408      1.557360      2.832532
  H      -5.694114      2.352976      2.374632
101
Coordinates from ORCA-job orca E -6484.313480332974
  N      -2.635429      0.239221      5.101969
  Mo     -3.618193      1.953506      5.373881
  N      -5.112423      1.840188      6.659554
  C      -4.787439      1.917455      8.082345
  C      -3.417854      1.293419      8.326904
  N      -2.447149      1.804794      7.327664
  C      -1.326155      0.870203      7.072069
  C      -1.789028     -0.267281      6.178921
  C      -1.961050      3.168411      7.644498
  C      -1.612910      3.883316      6.344600
  N      -2.726805      3.758598      5.395567
  H      -0.892498     -0.780734      5.776964
  H      -2.336861     -1.033013      6.771154
  H      -0.545777      1.443242      6.551718
  H      -0.900107      0.496078      8.021278
  H      -1.411299      4.945302      6.575259
  H      -0.674735      3.480989      5.915362
  H      -2.781811      3.711885      8.135771
  H      -1.106765      3.123983      8.346376
  H      -5.537299      1.368835      8.683396
  H      -4.800865      2.964022      8.451493
  H      -3.491645      0.205812      8.185209
  H      -3.059915      1.486002      9.354943
  C      -2.869604     -0.777612      4.078296
  C      -1.777691     -0.780705      2.991804
  C      -2.067134      0.220820      1.885900
  O      -3.096535     -0.402029      1.071577
  C      -3.880555      0.248198      0.195510
  C      -4.980459     -0.473314     -0.267755
  C      -5.851927      0.087926     -1.207130
  N      -5.730691      1.305078     -1.721444
  C      -4.662490      2.033128     -1.289635
  C      -4.481745      3.337817     -1.812644
  C      -3.397858      4.087596     -1.421421
  C      -2.481828      3.524345     -0.503187
  N      -2.609231      2.318666      0.026135
  C      -3.685476      1.566376     -0.339599
  C      -3.127165      5.074444      4.898186
  C      -4.297339      5.077379      3.922521
  C      -3.857648      4.913254      2.474345
  O      -4.971358      4.596665      1.609371
  C      -5.911433      5.531747      1.385824
  C      -5.850881      6.865851      1.768805
  C      -6.947270      7.709975      1.494769
  N      -8.069332      7.342726      0.893683
  C      -8.132010      6.040595      0.476496
  C      -9.291592      5.579965     -0.195902
  C      -9.333440      4.285898     -0.663494
  C      -8.216198      3.449359     -0.455889
  N      -7.130374      3.820884      0.203501
  C      -7.079381      5.093039      0.671548
  C      -6.529723      1.962011      6.347665
  C      -7.018395      3.416442      6.356121
  C      -8.417132      3.610194      5.798568
  O      -8.460118      2.971868      4.503153
  C      -9.591273      3.040041      3.782952
  C     -10.676101      3.861905      4.048630
  C     -11.787826      3.829637      3.179366
  N     -11.909869      3.048909      2.117308
  C     -10.858408      2.215741      1.856059
  C     -10.934415      1.321654      0.759177
  C      -9.876772      0.477213      0.497713
  C      -8.736807      0.530397      1.332681
  N      -8.626061      1.340826      2.372948
  C      -9.664859      2.171730      2.641398
  H      -2.922667     -1.771986      4.560197
  H      -3.845454     -0.604848      3.602353
  H      -0.802727     -0.537817      3.447637
  H      -1.679439     -1.782519      2.540127
  H      -1.188847      0.422261      1.259887
  H      -2.436502      1.172688      2.287061
  H      -5.153444     -1.476184      0.120000
  H      -6.708346     -0.501312     -1.555668
  H      -5.222003      3.708110     -2.518773
  H      -3.235059      5.096452     -1.803728
  H      -1.605901      4.099688     -0.186375
  H      -2.261026      5.583395      4.429770
  H      -3.398342      5.702202      5.766861
  H      -4.864733      6.010840      4.047027
  H      -4.974091      4.245321      4.166555
  H      -3.188817      4.046463      2.365918
  H      -3.331344      5.811864      2.099345
  H      -4.983983      7.275776      2.286401
  H      -6.887948      8.757930      1.810754
  H     -10.117658      6.274306     -0.335935
  H     -10.208401      3.901604     -1.190414
  H      -8.209865      2.434257     -0.857569
  H      -7.129083      1.366349      7.060471
  H      -6.701422      1.543865      5.350464
  H      -6.310829      4.011634      5.767063
  H      -7.010295      3.823053      7.374811
  H      -8.646138      4.687553      5.699077
  H      -9.189246      3.147116      6.443580
  H     -10.686631      4.536886      4.902329
  H     -12.629443      4.496776      3.388253
  H     -11.839963      1.327530      0.150502
  H      -9.904590     -0.224130     -0.337683
  H      -7.878906     -0.119300      1.132704
  N      -4.591665      1.872825      3.861214
  N      -5.230399      1.556982      2.845862
  H      -5.707551      2.353700      2.383009
101
Coordinates from ORCA-job orca E -6484.313817210035
  N      -2.632511      0.253336      5.102588
  Mo     -3.620867      1.961911      5.390277
  N      -5.112774      1.823211      6.677650
  C      -4.785014      1.896879      8.100554
  C      -3.410656      1.279168      8.337513
  N      -2.445032      1.804361      7.338574
  C      -1.318664      0.879616      7.069029
  C      -1.778225     -0.255053      6.171131
  C      -1.966588      3.168684      7.667099
  C      -1.627817      3.903260      6.374854
  N      -2.739002      3.774374      5.425353
  H      -0.880786     -0.759920      5.762308
  H      -2.318371     -1.028089      6.760162
  H      -0.546967      1.463382      6.546889
  H      -0.882745      0.502483      8.012485
  H      -1.443583      4.967373      6.619078
  H      -0.682027      3.521065      5.940722
  H      -2.788813      3.701119      8.169106
  H      -1.109065      3.122056      8.363737
  H      -5.529930      1.340128      8.702602
  H      -4.803933      2.943211      8.474666
  H      -3.477524      0.191068      8.190064
  H      -3.052115      1.468623      9.365940
  C      -2.876943     -0.763070      4.080387
  C      -1.796785     -0.767685      2.981271
  C      -2.090757      0.237099      1.879628
  O      -3.129453     -0.382155      1.075048
  C      -3.908721      0.268554      0.192737
  C      -5.003578     -0.455074     -0.273359
  C      -5.868585      0.102717     -1.221625
  N      -5.744683      1.318432     -1.742343
  C      -4.680386      2.047793     -1.306849
  C      -4.492418      3.347874     -1.836592
  C      -3.404529      4.096034     -1.442463
  C      -2.498116      3.538502     -0.513471
  N      -2.634727      2.338476      0.022590
  C      -3.711155      1.585608     -0.346774
  C      -3.121989      5.084993      4.905207
  C      -4.291168      5.083533      3.927373
  C      -3.849478      4.900360      2.483917
  O      -4.959357      4.587763      1.613920
  C      -5.881559      5.534072      1.366109
  C      -5.795737      6.874806      1.717355
  C      -6.875050      7.733548      1.418826
  N      -8.003537      7.374457      0.823031
  C      -8.091208      6.063640      0.439501
  C      -9.260815      5.607604     -0.218916
  C      -9.328434      4.301836     -0.650275
  C      -8.225408      3.450030     -0.423232
  N      -7.132349      3.817985      0.226184
  C      -7.056821      5.101166      0.660053
  C      -6.531193      1.938169      6.369173
  C      -7.021716      3.398160      6.352547
  C      -8.429672      3.571401      5.812162
  O      -8.477768      2.941358      4.517174
  C      -9.604496      3.011149      3.794441
  C     -10.688355      3.836891      4.054427
  C     -11.794018      3.809414      3.179052
  N     -11.909209      3.031903      2.113856
  C     -10.858603      2.194934      1.857773
  C     -10.926106      1.306163      0.754921
  C      -9.872110      0.455889      0.501657
  C      -8.743714      0.498127      1.350710
  N      -8.639101      1.305491      2.394426
  C      -9.674045      2.142706      2.653823
  H      -2.925990     -1.757759      4.563058
  H      -3.857376     -0.590244      3.614652
  H      -0.816498     -0.533986      3.427059
  H      -1.711946     -1.767861      2.525427
  H      -1.217385      0.436744      1.246118
  H      -2.453961      1.189288      2.286397
  H      -5.176467     -1.458204      0.118321
  H      -6.720936     -0.488522     -1.573142
  H      -5.229824      3.715322     -2.550030
  H      -3.234896      5.101115     -1.829162
  H      -1.622236      4.114300     -0.192568
  H      -2.248975      5.575575      4.430050
  H      -3.385816      5.730884      5.762463
  H      -4.853604      6.019310      4.038474
  H      -4.972687      4.259785      4.178396
  H      -3.190105      4.028505      2.390432
  H      -3.314275      5.786204      2.102864
  H      -4.921668      7.279028      2.228931
  H      -6.795018      8.787523      1.707431
  H     -10.075130      6.313267     -0.374508
  H     -10.213023      3.919428     -1.162395
  H      -8.239546      2.423731     -0.797350
  H      -7.129274      1.353325      7.098168
  H      -6.704223      1.498832      5.378176
  H      -6.324385      3.985637      5.730642
  H      -6.995888      3.833256      7.368808
  H      -8.675906      4.641490      5.719105
  H      -9.184484      3.094843      6.460896
  H     -10.702082      4.511998      4.907718
  H     -12.635249      4.478932      3.384175
  H     -11.822814      1.320881      0.135692
  H      -9.894693     -0.242413     -0.336634
  H      -7.890328     -0.157117      1.159433
  N      -4.597304      1.884850      3.879345
  N      -5.243482      1.562521      2.871144
  H      -5.718843      2.356837      2.400544
101
Coordinates from ORCA-job orca E -6484.314132608267
  N      -2.613626      0.272660      5.102200
  Mo     -3.617274      1.971422      5.403010
  N      -5.111360      1.803991      6.684094
  C      -4.786292      1.864887      8.105803
  C      -3.405983      1.260871      8.340762
  N      -2.445108      1.806214      7.352059
  C      -1.307816      0.898277      7.077386
  C      -1.756452     -0.233520      6.172175
  C      -1.981944      3.167069      7.697419
  C      -1.650586      3.921030      6.419424
  N      -2.753637      3.787276      5.455894
  H      -0.852709     -0.730184      5.764280
  H      -2.292970     -1.012122      6.757041
  H      -0.543362      1.494301      6.559617
  H      -0.867142      0.519748      8.018273
  H      -1.489148      4.979174      6.682024
  H      -0.694514      3.566818      5.990380
  H      -2.809520      3.679579      8.203791
  H      -1.123496      3.122798      8.394840
  H      -5.525496      1.294531      8.697114
  H      -4.817070      2.902912      8.492002
  H      -3.460173      0.176596      8.180910
  H      -3.051288      1.442708      9.371029
  C      -2.853876     -0.745339      4.078015
  C      -1.779412     -0.745328      2.975854
  C      -2.089812      0.256033      1.875080
  O      -3.129397     -0.371755      1.078568
  C      -3.918332      0.271400      0.200909
  C      -5.014528     -0.456444     -0.248626
  C      -5.893340      0.097546     -1.189597
  N      -5.772337      1.308455     -1.720253
  C      -4.700599      2.037805     -1.301904
  C      -4.520169      3.336186     -1.839830
  C      -3.435436      4.089967     -1.458747
  C      -2.520997      3.537978     -0.536708
  N      -2.649308      2.339419      0.006489
  C      -3.724653      1.582843     -0.348880
  C      -3.110460      5.097276      4.902247
  C      -4.277680      5.094914      3.922437
  C      -3.838320      4.880687      2.482237
  O      -4.954866      4.579948      1.618227
  C      -5.856084      5.540643      1.355859
  C      -5.745439      6.884516      1.684626
  C      -6.808675      7.758447      1.372635
  N      -7.942816      7.411306      0.784816
  C      -8.054237      6.096648      0.424679
  C      -9.234458      5.651584     -0.219249
  C      -9.324939      4.339606     -0.630379
  C      -8.234604      3.470447     -0.394689
  N      -7.135483      3.829119      0.247491
  C      -7.037272      5.118503      0.658270
  C      -6.530375      1.915755      6.370260
  C      -7.019556      3.374977      6.332164
  C      -8.431879      3.544011      5.801069
  O      -8.490657      2.896297      4.514610
  C      -9.616741      2.978126      3.789305
  C     -10.698888      3.807655      4.053560
  C     -11.800289      3.796377      3.171039
  N     -11.917950      3.029042      2.097918
  C     -10.874945      2.183846      1.842006
  C     -10.951991      1.300306      0.737288
  C      -9.907848      0.439979      0.485634
  C      -8.779123      0.466961      1.337615
  N      -8.664947      1.269585      2.382355
  C      -9.690908      2.116811      2.641288
  H      -2.894154     -1.740672      4.560002
  H      -3.837643     -0.579720      3.615579
  H      -0.797087     -0.508183      3.415022
  H      -1.692998     -1.745085      2.522308
  H      -1.221246      0.463282      1.236645
  H      -2.459882      1.206343      2.282518
  H      -5.184138     -1.455915      0.152657
  H      -6.753176     -0.493560     -1.526299
  H      -5.270714      3.702798     -2.545829
  H      -3.273805      5.095800     -1.850338
  H      -1.643476      4.117054     -0.227168
  H      -2.223027      5.560403      4.411079
  H      -3.362614      5.776474      5.748009
  H      -4.825620      6.042241      4.015869
  H      -4.972695      4.285302      4.189006
  H      -3.197821      3.994743      2.400417
  H      -3.284195      5.748566      2.088266
  H      -4.866129      7.279562      2.189814
  H      -6.709982      8.814883      1.643202
  H     -10.041595      6.370869     -0.377344
  H     -10.218284      3.964999     -1.131310
  H      -8.268275      2.437478     -0.750797
  H      -7.130698      1.340999      7.105857
  H      -6.702175      1.463700      5.385038
  H      -6.326010      3.948823      5.693860
  H      -6.983462      3.827976      7.339553
  H      -8.676379      4.613195      5.697129
  H      -9.183858      3.077246      6.460525
  H     -10.714637      4.474066      4.915470
  H     -12.638796      4.470042      3.379367
  H     -11.848209      1.326884      0.115377
  H      -9.935726     -0.253844     -0.356545
  H      -7.930156     -0.195648      1.144871
  N      -4.597133      1.888876      3.894341
  N      -5.249196      1.561622      2.891378
  H      -5.727594      2.349432      2.419142
101
Coordinates from ORCA-job orca E -6484.314486844329
  N      -2.608567      0.286548      5.105741
  Mo     -3.620298      1.977734      5.417505
  N      -5.111588      1.789372      6.701784
  C      -4.784055      1.847848      8.123797
  C      -3.398678      1.251857      8.352486
  N      -2.443881      1.808767      7.362043
  C      -1.300730      0.910581      7.075888
  C      -1.744697     -0.220029      6.166610
  C      -1.988433      3.172545      7.713956
  C      -1.664186      3.940442      6.440443
  N      -2.763673      3.799490      5.476895
  H      -0.841962     -0.707338      5.751689
  H      -2.272374     -1.005707      6.747883
  H      -0.544605      1.516382      6.556985
  H      -0.851659      0.530612      8.011986
  H      -1.519193      5.000971      6.712355
  H      -0.702464      3.603001      6.008655
  H      -2.817634      3.677763      8.227667
  H      -1.128021      3.128655      8.407823
  H      -5.517555      1.269376      8.715722
  H      -4.821729      2.885246      8.514549
  H      -3.445859      0.166688      8.188446
  H      -3.042749      1.432276      9.383081
  C      -2.852025     -0.729802      4.082741
  C      -1.785481     -0.723650      2.971559
  C      -2.103212      0.282791      1.877946
  O      -3.144996     -0.342935      1.086904
  C      -3.935680      0.297171      0.210656
  C      -5.035668     -0.429787     -0.229519
  C      -5.916835      0.121198     -1.168436
  N      -5.797648      1.330052     -1.704624
  C      -4.725396      2.060102     -1.293819
  C      -4.547125      3.356559     -1.836694
  C      -3.460195      4.110428     -1.462927
  C      -2.538300      3.558572     -0.544986
  N      -2.663885      2.361493      0.002408
  C      -3.742744      1.605804     -0.344749
  C      -3.098533      5.100050      4.898403
  C      -4.265761      5.096610      3.917996
  C      -3.827997      4.848787      2.482837
  O      -4.948544      4.555674      1.622374
  C      -5.825194      5.531926      1.336902
  C      -5.681993      6.879854      1.636566
  C      -6.721299      7.773443      1.300558
  N      -7.861879      7.441620      0.717716
  C      -8.006972      6.121492      0.389450
  C      -9.199527      5.690335     -0.241072
  C      -9.325369      4.370658     -0.617276
  C      -8.257228      3.480308     -0.361485
  N      -7.147347      3.826493      0.269586
  C      -7.015528      5.123362      0.647223
  C      -6.530994      1.892663      6.388517
  C      -7.025550      3.348168      6.324605
  C      -8.441086      3.503914      5.800549
  O      -8.505949      2.837917      4.522577
  C      -9.629397      2.931814      3.793892
  C     -10.703660      3.770231      4.055287
  C     -11.801565      3.774093      3.166495
  N     -11.922546      3.014478      2.089024
  C     -10.887459      2.159596      1.836123
  C     -10.965619      1.284970      0.724404
  C      -9.924081      0.417492      0.470304
  C      -8.800818      0.426460      1.330809
  N      -8.687177      1.219848      2.383402
  C      -9.708012      2.075591      2.642300
  H      -2.884478     -1.726551      4.563329
  H      -3.838985     -0.566850      3.628185
  H      -0.799269     -0.489481      3.403189
  H      -1.703640     -1.722551      2.510902
  H      -1.239320      0.497639      1.232681
  H      -2.472884      1.228152      2.294711
  H      -5.204570     -1.426886      0.177051
  H      -6.775728     -0.470675     -1.499092
  H      -5.295477      3.718582     -2.541185
  H      -3.298225      5.113805     -1.858637
  H      -1.656549      4.136275     -0.242009
  H      -2.204342      5.537821      4.400433
  H      -3.337506      5.796848      5.728951
  H      -4.800337      6.053258      3.993095
  H      -4.972478      4.302079      4.198468
  H      -3.205564      3.949095      2.417696
  H      -3.254866      5.697340      2.074855
  H      -4.795929      7.262996      2.137730
  H      -6.596812      8.833544      1.547138
  H      -9.988986      6.425448     -0.414610
  H     -10.230038      4.005724     -1.105329
  H      -8.319796      2.440039     -0.689145
  H      -7.127472      1.329522      7.135066
  H      -6.703356      1.421593      5.411020
  H      -6.341857      3.909933      5.669879
  H      -6.980700      3.819684      7.320313
  H      -8.691848      4.571177      5.682726
  H      -9.184719      3.041871      6.471288
  H     -10.716617      4.432021      4.919843
  H     -12.633847      4.454971      3.372784
  H     -11.857779      1.324994      0.096631
  H      -9.950928     -0.268787     -0.379105
  H      -7.954980     -0.243151      1.137987
  N      -4.605052      1.892786      3.912077
  N      -5.264095      1.557812      2.916555
  H      -5.743281      2.341203      2.439904
101
Coordinates from ORCA-job orca E -6484.314817903994
  N      -2.602459      0.305567      5.105629
  Mo     -3.624915      1.986253      5.434239
  N      -5.114376      1.773895      6.720236
  C      -4.785926      1.821755      8.142685
  C      -3.395520      1.234714      8.363237
  N      -2.446895      1.809332      7.375968
  C      -1.295699      0.924192      7.078118
  C      -1.731401     -0.202622      6.159782
  C      -2.004129      3.175634      7.740633
  C      -1.682654      3.959566      6.472435
  N      -2.774923      3.814507      5.503157
  H      -0.826148     -0.678114      5.738329
  H      -2.250339     -0.998345      6.734846
  H      -0.547028      1.542232      6.562139
  H      -0.840120      0.540179      8.009443
  H      -1.554157      5.022769      6.753840
  H      -0.712379      3.636950      6.041676
  H      -2.839195      3.670811      8.259776
  H      -1.143701      3.132033      8.435167
  H      -5.513574      1.230807      8.730767
  H      -4.832770      2.855712      8.544044
  H      -3.434099      0.150346      8.188176
  H      -3.039456      1.407694      9.395138
  C      -2.850478     -0.709473      4.082502
  C      -1.793994     -0.697982      2.962178
  C      -2.122045      0.309135      1.873167
  O      -3.171987     -0.318229      1.088296
  C      -3.962759      0.322383      0.210375
  C      -5.070023     -0.402075     -0.226926
  C      -5.947551      0.145554     -1.170154
  N      -5.824514      1.351536     -1.712226
  C      -4.751011      2.082624     -1.302555
  C      -4.570327      3.376618     -1.850442
  C      -3.481931      4.131335     -1.476793
  C      -2.565568      3.585302     -0.552527
  N      -2.691910      2.389526     -0.001787
  C      -3.768981      1.630859     -0.349337
  C      -3.088251      5.105447      4.895494
  C      -4.250083      5.102687      3.909060
  C      -3.811982      4.811944      2.481386
  O      -4.939363      4.527465      1.623881
  C      -5.791001      5.519577      1.313494
  C      -5.614288      6.870336      1.582917
  C      -6.630146      7.781606      1.221299
  N      -7.778360      7.464683      0.642216
  C      -7.958197      6.140409      0.347509
  C      -9.162430      5.721075     -0.270530
  C      -9.323708      4.395247     -0.606283
  C      -8.279424      3.486826     -0.324232
  N      -7.159129      3.822177      0.294880
  C      -6.992613      5.124860      0.633133
  C      -6.535013      1.871278      6.409196
  C      -7.032043      3.323880      6.326014
  C      -8.451373      3.470520      5.812041
  O      -8.518957      2.796213      4.537688
  C      -9.639097      2.894591      3.806265
  C     -10.711056      3.737805      4.062516
  C     -11.802627      3.751062      3.165143
  N     -11.915823      2.998982      2.081077
  C     -10.882305      2.137063      1.833340
  C     -10.952694      1.269387      0.714949
  C      -9.918397      0.392566      0.472041
  C      -8.807184      0.386006      1.348116
  N      -8.699564      1.174037      2.405602
  C      -9.714863      2.039206      2.653916
  H      -2.875036     -1.705751      4.562532
  H      -3.841245     -0.550855      3.635090
  H      -0.802498     -0.467767      3.386379
  H      -1.719611     -1.695423      2.496439
  H      -1.265017      0.525463      1.222685
  H      -2.490102      1.253082      2.294773
  H      -5.242529     -1.396736      0.184247
  H      -6.807608     -0.446259     -1.499285
  H      -5.318848      3.736773     -2.557702
  H      -3.321763      5.134639     -1.875072
  H      -1.693288      4.167997     -0.245588
  H      -2.187581      5.518354      4.395771
  H      -3.319655      5.819003      5.707719
  H      -4.765579      6.072116      3.960011
  H      -4.974631      4.329696      4.204970
  H      -3.210901      3.893075      2.436285
  H      -3.214168      5.637986      2.056482
  H      -4.720407      7.241477      2.081023
  H      -6.479113      8.844353      1.443170
  H      -9.932343      6.467805     -0.464625
  H     -10.238818      4.038196     -1.081005
  H      -8.370020      2.439745     -0.618239
  H      -7.127515      1.318585      7.165110
  H      -6.710627      1.386353      5.439273
  H      -6.357155      3.873995      5.654891
  H      -6.975561      3.811652      7.311234
  H      -8.707441      4.537301      5.688778
  H      -9.189276      3.007903      6.491624
  H     -10.726863      4.396859      4.928665
  H     -12.634694      4.435706      3.367761
  H     -11.835985      1.320803      0.075725
  H      -9.944641     -0.290199     -0.377724
  H      -7.969349     -0.292632      1.168199
  N      -4.612132      1.903285      3.931860
  N      -5.274605      1.561087      2.941043
  H      -5.751662      2.342623      2.456030
101
Coordinates from ORCA-job orca E -6484.315145379227
  N      -2.598800      0.322001      5.104318
  Mo     -3.631880      1.992534      5.446840
  N      -5.119321      1.758910      6.733649
  C      -4.789647      1.794625      8.155709
  C      -3.394770      1.217080      8.368521
  N      -2.452614      1.808301      7.385613
  C      -1.294321      0.936231      7.078862
  C      -1.722303     -0.187465      6.153091
  C      -2.021008      3.175210      7.761766
  C      -1.704939      3.973430      6.501608
  N      -2.789867      3.824742      5.526057
  H      -0.814184     -0.653717      5.726626
  H      -2.234441     -0.991468      6.722830
  H      -0.552519      1.564770      6.565925
  H      -0.833571      0.549333      8.006278
  H      -1.591355      5.035586      6.793330
  H      -0.729047      3.667106      6.072811
  H      -2.858972      3.657933      8.285991
  H      -1.160269      3.133137      8.454927
  H      -5.511162      1.191139      8.738138
  H      -4.845374      2.823476      8.568840
  H      -3.425192      0.134452      8.182135
  H      -3.038285      1.382372      9.401459
  C      -2.846609     -0.691936      4.079447
  C      -1.796202     -0.671966      2.952305
  C      -2.133048      0.336267      1.868048
  O      -3.187282     -0.292522      1.087989
  C      -3.978146      0.348333      0.211894
  C      -5.087168     -0.375890     -0.220906
  C      -5.965657      0.170375     -1.163653
  N      -5.842527      1.374701     -1.709580
  C      -4.767320      2.105558     -1.304442
  C      -4.586539      3.397372     -1.856935
  C      -3.495309      4.150811     -1.488706
  C      -2.574982      3.605812     -0.564497
  N      -2.702696      2.412589     -0.009629
  C      -3.784204      1.655790     -0.351563
  C      -3.079746      5.109156      4.889881
  C      -4.239867      5.104335      3.901548
  C      -3.806110      4.782273      2.479839
  O      -4.937103      4.503654      1.627391
  C      -5.764156      5.508792      1.293236
  C      -5.551875      6.861283      1.527914
  C      -6.544486      7.788029      1.141990
  N      -7.701639      7.484801      0.570946
  C      -7.916714      6.158632      0.311583
  C      -9.130751      5.752556     -0.296815
  C      -9.324640      4.423020     -0.599439
  C      -8.304663      3.497086     -0.291876
  N      -7.176958      3.820918      0.320376
  C      -6.977136      5.127384      0.623877
  C      -6.541269      1.852175      6.425667
  C      -7.037277      3.301603      6.328807
  C      -8.462473      3.442051      5.827228
  O      -8.536274      2.758844      4.557783
  C      -9.653383      2.861925      3.823220
  C     -10.721322      3.710010      4.072114
  C     -11.803486      3.732282      3.164400
  N     -11.913375      2.983862      2.078964
  C     -10.886415      2.113240      1.841351
  C     -10.953747      1.248411      0.722032
  C      -9.921321      0.366290      0.485253
  C      -8.817465      0.349844      1.370762
  N      -8.714621      1.134399      2.430988
  C      -9.726993      2.006266      2.671516
  H      -2.862147     -1.689710      4.557013
  H      -3.841084     -0.539414      3.636900
  H      -0.801897     -0.442388      3.371221
  H      -1.724737     -1.667375      2.481407
  H      -1.282286      0.555904      1.212583
  H      -2.501051      1.277866      2.294191
  H      -5.261225     -1.368715      0.194143
  H      -6.829663     -0.420242     -1.487586
  H      -5.333027      3.754902     -2.564500
  H      -3.332272      5.150255     -1.892464
  H      -1.694945      4.185458     -0.263274
  H      -2.170241      5.495988      4.380002
  H      -3.299606      5.846625      5.687926
  H      -4.740146      6.081531      3.933539
  H      -4.975963      4.349258      4.211967
  H      -3.221009      3.854866      2.449755
  H      -3.196119      5.589637      2.040397
  H      -4.647150      7.221869      2.016900
  H      -6.365215      8.851801      1.335547
  H      -9.880440      6.511169     -0.512042
  H     -10.246035      4.075658     -1.068176
  H      -8.419608      2.444317     -0.561049
  H      -7.130567      1.308502      7.188176
  H      -6.722066      1.358172      5.463341
  H      -6.368477      3.840006      5.641930
  H      -6.967095      3.804297      7.305329
  H      -8.720429      4.507011      5.699292
  H      -9.196166      2.982132      6.515269
  H     -10.739471      4.367806      4.938092
  H     -12.629727      4.422850      3.357963
  H     -11.830949      1.307307      0.075048
  H      -9.944252     -0.312918     -0.367152
  H      -7.980456     -0.333449      1.196733
  N      -4.621321      1.909090      3.945509
  N      -5.286458      1.560737      2.957595
  H      -5.763083      2.341270      2.466733
101
Coordinates from ORCA-job orca E -6484.315519774012
  N      -2.589369      0.341680      5.103953
  Mo     -3.635127      2.000484      5.462764
  N      -5.120061      1.746904      6.750168
  C      -4.789281      1.769393      8.172297
  C      -3.389626      1.200711      8.376482
  N      -2.454188      1.808644      7.398197
  C      -1.288390      0.950165      7.083786
  C      -1.707162     -0.168753      6.148103
  C      -2.035214      3.175518      7.786373
  C      -1.723981      3.986995      6.536297
  N      -2.800423      3.834842      5.552524
  H      -0.795121     -0.624110      5.716835
  H      -2.212096     -0.981873      6.710951
  H      -0.551901      1.589106      6.576407
  H      -0.824613      0.558835      8.007739
  H      -1.624663      5.045700      6.838484
  H      -0.742955      3.697374      6.112113
  H      -2.877321      3.643992      8.313399
  H      -1.175091      3.135981      8.480286
  H      -5.504435      1.152493      8.748305
  H      -4.854468      2.792651      8.598659
  H      -3.412498      0.120296      8.177197
  H      -3.031910      1.356767      9.410456
  C      -2.835265     -0.671636      4.076278
  C      -1.795648     -0.640981      2.941312
  C      -2.148879      0.369913      1.863226
  O      -3.210144     -0.259647      1.095367
  C      -4.006303      0.379815      0.222650
  C      -5.117554     -0.344214     -0.201554
  C      -5.999194      0.200854     -1.143030
  N      -5.872058      1.400602     -1.697076
  C      -4.790795      2.128730     -1.301779
  C      -4.607707      3.417247     -1.862387
  C      -3.515499      4.169934     -1.503191
  C      -2.592788      3.626116     -0.579315
  N      -2.720967      2.434893     -0.018372
  C      -3.807138      1.681497     -0.350452
  C      -3.066597      5.110187      4.888386
  C      -4.224370      5.105200      3.897495
  C      -3.798259      4.743243      2.483454
  O      -4.938244      4.475584      1.638235
  C      -5.738043      5.493974      1.279695
  C      -5.489894      6.845440      1.479066
  C      -6.457602      7.786988      1.068809
  N      -7.621587      7.499441      0.505406
  C      -7.871932      6.174749      0.281122
  C      -9.096779      5.786235     -0.316992
  C      -9.326323      4.454697     -0.586072
  C      -8.331582      3.509100     -0.252090
  N      -7.196168      3.819082      0.353381
  C      -6.960762      5.127417      0.621039
  C      -6.543205      1.833081      6.444027
  C      -7.041820      3.281582      6.321242
  C      -8.469626      3.412836      5.824572
  O      -8.546700      2.718257      4.562726
  C      -9.659717      2.826946      3.822746
  C     -10.722903      3.682868      4.066127
  C     -11.798245      3.716393      3.149636
  N     -11.908173      2.971087      2.062283
  C     -10.890219      2.087338      1.833866
  C     -10.960148      1.224510      0.713782
  C      -9.935351      0.331029      0.484439
  C      -8.839929      0.299061      1.380997
  N      -8.735561      1.081530      2.442916
  C      -9.736982      1.967942      2.672610
  H      -2.837739     -1.671861      4.550200
  H      -3.834192     -0.526528      3.641282
  H      -0.798249     -0.409513      3.349641
  H      -1.725061     -1.634595      2.468644
  H      -1.306038      0.596162      1.197641
  H      -2.517944      1.310955      2.293181
  H      -5.293972     -1.334263      0.220589
  H      -6.869314     -0.387761     -1.457714
  H      -5.356112      3.775082     -2.568522
  H      -3.351402      5.166720     -1.914741
  H      -1.707918      4.203564     -0.285331
  H      -2.148969      5.469676      4.371570
  H      -3.275535      5.868813      5.670059
  H      -4.703292      6.093855      3.905677
  H      -4.976964      4.374390      4.225794
  H      -3.234858      3.800989      2.468590
  H      -3.170792      5.527700      2.027205
  H      -4.576234      7.194165      1.958939
  H      -6.250393      8.849269      1.234205
  H      -9.828155      6.560345     -0.550396
  H     -10.257063      4.119791     -1.046500
  H      -8.474272      2.451804     -0.492554
  H      -7.129614      1.303914      7.219972
  H      -6.726884      1.321127      5.490071
  H      -6.378568      3.806931      5.617746
  H      -6.963269      3.804952      7.287328
  H      -8.730629      4.475225      5.685974
  H      -9.198996      2.957343      6.518048
  H     -10.741516      4.339940      4.933605
  H     -12.620165      4.414520      3.337316
  H     -11.830725      1.295633      0.057998
  H      -9.957413     -0.344233     -0.373210
  H      -8.008187     -0.393774      1.214007
  N      -4.627289      1.918972      3.963708
  N      -5.292776      1.566667      2.977580
  H      -5.766129      2.341517      2.479935
101
Coordinates from ORCA-job orca E -6484.315854546862
  N      -2.584709      0.357556      5.103040
  Mo     -3.636828      2.007890      5.473721
  N      -5.122643      1.744109      6.759991
  C      -4.793416      1.747002      8.181814
  C      -3.390937      1.182932      8.379218
  N      -2.458753      1.805405      7.408535
  C      -1.287198      0.956854      7.090701
  C      -1.697928     -0.155565      6.142984
  C      -2.050931      3.170929      7.807948
  C      -1.733359      3.990895      6.563644
  N      -2.802660      3.841023      5.571454
  H      -0.782676     -0.598648      5.707075
  H      -2.196452     -0.977866      6.696388
  H      -0.551837      1.603255      6.591494
  H      -0.824761      0.559119      8.012546
  H      -1.639049      5.047507      6.870967
  H      -0.746093      3.706238      6.146642
  H      -2.901892      3.631226      8.331368
  H      -1.194266      3.131170      8.509438
  H      -5.505320      1.117557      8.746981
  H      -4.865561      2.761927      8.624326
  H      -3.409426      0.105915      8.165443
  H      -3.032915      1.326748      9.414728
  C      -2.828349     -0.650901      4.069072
  C      -1.793850     -0.611086      2.930318
  C      -2.155458      0.398701      1.855516
  O      -3.221681     -0.229066      1.094841
  C      -4.022107      0.407362      0.226882
  C      -5.139134     -0.311808     -0.184091
  C      -6.028183      0.236757     -1.118989
  N      -5.899356      1.432919     -1.679401
  C      -4.810904      2.154440     -1.298276
  C      -4.621165      3.436654     -1.868956
  C      -3.513417      4.178095     -1.529247
  C      -2.591515      3.634257     -0.609085
  N      -2.728385      2.450439     -0.038975
  C      -3.820909      1.704118     -0.355309
  C      -3.045724      5.110745      4.887762
  C      -4.207038      5.111311      3.900317
  C      -3.795151      4.718494      2.490763
  O      -4.943653      4.457648      1.656418
  C      -5.720140      5.483946      1.274612
  C      -5.440293      6.833582      1.438963
  C      -6.384918      7.787151      1.005608
  N      -7.553096      7.512511      0.448362
  C      -7.833823      6.189782      0.255962
  C      -9.065043      5.817445     -0.338197
  C      -9.327983      4.486001     -0.574413
  C      -8.359928      3.523840     -0.208902
  N      -7.219044      3.820775      0.392217
  C      -6.950319      5.129187      0.625628
  C      -6.546993      1.826673      6.453475
  C      -7.046861      3.272122      6.316779
  C      -8.478714      3.396060      5.825209
  O      -8.563416      2.687461      4.569929
  C      -9.674330      2.795532      3.824581
  C     -10.737121      3.655561      4.060335
  C     -11.804707      3.693438      3.135522
  N     -11.909652      2.947538      2.048439
  C     -10.896266      2.054451      1.831151
  C     -10.965188      1.187921      0.714589
  C      -9.947014      0.284683      0.497351
  C      -8.859180      0.246791      1.401772
  N      -8.754581      1.033376      2.459991
  C      -9.749198      1.930694      2.677577
  H      -2.822987     -1.653105      4.538388
  H      -3.828595     -0.509712      3.636159
  H      -0.795677     -0.374908      3.333923
  H      -1.720129     -1.603878      2.454954
  H      -1.317297      0.626137      1.182933
  H      -2.522524      1.339276      2.287469
  H      -5.316815     -1.298929      0.244078
  H      -6.901273     -0.348554     -1.422523
  H      -5.379351      3.801067     -2.568682
  H      -3.343103      5.168805     -1.951535
  H      -1.700639      4.205474     -0.327183
  H      -2.120597      5.445112      4.363392
  H      -3.241438      5.886372      5.658106
  H      -4.664641      6.110430      3.892215
  H      -4.974129      4.403657      4.245309
  H      -3.248979      3.768251      2.486495
  H      -3.158572      5.484253      2.017959
  H      -4.519130      7.172931      1.908343
  H      -6.153281      8.847823      1.145380
  H      -9.775963      6.605319     -0.595621
  H     -10.264723      4.163353     -1.031804
  H      -8.529581      2.465500     -0.418873
  H      -7.132524      1.306487      7.235206
  H      -6.733141      1.306919      5.504756
  H      -6.387437      3.789054      5.604264
  H      -6.961319      3.807269      7.275286
  H      -8.739659      4.455281      5.676757
  H      -9.205581      2.947430      6.525160
  H     -10.760147      4.313901      4.927095
  H     -12.624303      4.396820      3.314635
  H     -11.830638      1.263020      0.052713
  H      -9.969065     -0.392933     -0.358233
  H      -8.034472     -0.455891      1.247170
  N      -4.631254      1.931757      3.975327
  N      -5.296402      1.580339      2.989022
  H      -5.764414      2.357298      2.489302
101
Coordinates from ORCA-job orca E -6484.316229858951
  N      -2.580794      0.375199      5.099941
  Mo     -3.641725      2.015517      5.487643
  N      -5.125339      1.736882      6.772798
  C      -4.795666      1.720475      8.194423
  C      -3.388977      1.163989      8.383068
  N      -2.462304      1.802762      7.418762
  C      -1.285495      0.965113      7.094419
  C      -1.688898     -0.141180      6.135907
  C      -2.065700      3.167647      7.829187
  C      -1.747536      3.996951      6.593610
  N      -2.809375      3.848397      5.593711
  H      -0.770285     -0.573980      5.695082
  H      -2.182098     -0.972202      6.682000
  H      -0.553078      1.619551      6.601970
  H      -0.822026      0.561298      8.012944
  H      -1.658695      5.051280      6.907715
  H      -0.756133      3.720420      6.182162
  H      -2.921833      3.616890      8.351179
  H      -1.212117      3.129553      8.533725
  H      -5.501782      1.076363      8.749487
  H      -4.876212      2.727032      8.653857
  H      -3.401530      0.090060      8.155006
  H      -3.029565      1.296377      9.419763
  C      -2.823088     -0.628774      4.060979
  C      -1.795510     -0.578548      2.917326
  C      -2.166317      0.429554      1.846081
  O      -3.241467     -0.197940      1.093205
  C      -4.048308      0.441896      0.229607
  C      -5.177014     -0.268887     -0.172710
  C      -6.063844      0.279579     -1.106738
  N      -5.929929      1.472515     -1.671761
  C      -4.837995      2.191109     -1.296627
  C      -4.644315      3.471735     -1.872479
  C      -3.533651      4.210510     -1.540518
  C      -2.609129      3.663271     -0.621437
  N      -2.747527      2.479258     -0.048338
  C      -3.844972      1.737430     -0.357186
  C      -3.030118      5.111875      4.891313
  C      -4.189513      5.117174      3.901909
  C      -3.785348      4.687376      2.501115
  O      -4.940721      4.432007      1.674403
  C      -5.692383      5.464088      1.261687
  C      -5.379044      6.810854      1.384464
  C      -6.299180      7.775479      0.921214
  N      -7.472520      7.513110      0.368909
  C      -7.785536      6.191775      0.215782
  C      -9.022600      5.832980     -0.374548
  C      -9.322112      4.502581     -0.564597
  C      -8.384139      3.527137     -0.156073
  N      -7.237083      3.812740      0.438154
  C      -6.931724      5.120014      0.625114
  C      -6.551467      1.812844      6.468879
  C      -7.055700      3.257502      6.317080
  C      -8.489150      3.372844      5.828947
  O      -8.573706      2.658262      4.577464
  C      -9.680138      2.768209      3.825884
  C     -10.735323      3.638958      4.049903
  C     -11.797694      3.680301      3.119516
  N     -11.902877      2.928813      2.036163
  C     -10.897446      2.023342      1.831694
  C     -10.966732      1.151273      0.719261
  C      -9.955907      0.236817      0.513757
  C      -8.875939      0.192705      1.425899
  N      -8.771157      0.984355      2.480624
  C      -9.757382      1.894230      2.685806
  H      -2.808164     -1.632728      4.525041
  H      -3.825961     -0.491883      3.633535
  H      -0.797042     -0.337727      3.316257
  H      -1.718961     -1.568937      2.439381
  H      -1.332775      0.655413      1.167285
  H      -2.529744      1.371525      2.280763
  H      -5.360652     -1.252443      0.259164
  H      -6.941607     -0.302393     -1.403968
  H      -5.399242      3.836661     -2.572211
  H      -3.361425      5.199860     -1.969035
  H      -1.717287      4.232565     -0.343337
  H      -2.098747      5.424432      4.366516
  H      -3.218206      5.900714      5.648976
  H      -4.624878      6.126597      3.871240
  H      -4.973100      4.434883      4.261436
  H      -3.258475      3.726783      2.514507
  H      -3.134577      5.431795      2.011894
  H      -4.449575      7.141350      1.843053
  H      -6.041422      8.834904      1.030900
  H      -9.708492      6.630627     -0.667717
  H     -10.264817      4.190429     -1.017246
  H      -8.584743      2.468739     -0.325113
  H      -7.135054      1.300514      7.258706
  H      -6.739317      1.283772      5.524598
  H      -6.399853      3.767504      5.594448
  H      -6.967164      3.806577      7.269017
  H      -8.755546      4.429652      5.675547
  H      -9.211941      2.924471      6.531073
  H     -10.756259      4.303864      4.911483
  H     -12.611206      4.392938      3.288590
  H     -11.826648      1.231204      0.051566
  H      -9.979092     -0.444393     -0.338154
  H      -8.059179     -0.521047      1.283386
  N      -4.640443      1.944008      3.992837
  N      -5.307597      1.593335      3.007901
  H      -5.771117      2.369892      2.504080
101
Coordinates from ORCA-job orca E -6484.316610158558
  N      -2.586961      0.382404      5.098576
  Mo     -3.650906      2.018015      5.496681
  N      -5.131714      1.734214      6.782329
  C      -4.801204      1.707893      8.205463
  C      -3.391972      1.153568      8.387252
  N      -2.468175      1.799727      7.423209
  C      -1.290416      0.964875      7.094587
  C      -1.690683     -0.137513      6.129088
  C      -2.076656      3.166644      7.835689
  C      -1.754907      3.996896      6.603738
  N      -2.812478      3.849107      5.601166
  H      -0.770850     -0.563198      5.682837
  H      -2.179523     -0.975182      6.670573
  H      -0.557276      1.622141      6.606976
  H      -0.828190      0.555720      8.011245
  H      -1.664546      5.052357      6.918713
  H      -0.762784      3.720443      6.195570
  H      -2.935660      3.613456      8.353075
  H      -1.227553      3.131293      8.542523
  H      -5.504052      1.055359      8.757581
  H      -4.885278      2.712309      8.674150
  H      -3.403299      0.079606      8.152381
  H      -3.029985      1.280199      9.424572
  C      -2.825172     -0.614220      4.052943
  C      -1.798749     -0.550296      2.907246
  C      -2.174695      0.459447      1.839038
  O      -3.252722     -0.165604      1.087157
  C      -4.063569      0.481667      0.234079
  C      -5.195586     -0.223896     -0.162659
  C      -6.089067      0.333461     -1.087024
  N      -5.956131      1.529612     -1.647882
  C      -4.853651      2.239692     -1.279817
  C      -4.654554      3.520531     -1.854616
  C      -3.533314      4.249993     -1.533770
  C      -2.604944      3.694195     -0.623602
  N      -2.749846      2.510921     -0.050950
  C      -3.857199      1.777864     -0.350481
  C      -3.009754      5.107635      4.885247
  C      -4.168030      5.121876      3.896055
  C      -3.774213      4.659433      2.503097
  O      -4.940742      4.409238      1.689617
  C      -5.671771      5.445662      1.251729
  C      -5.324921      6.787596      1.332405
  C      -6.220398      7.761229      0.839795
  N      -7.400747      7.511586      0.294384
  C      -7.747434      6.193139      0.183101
  C      -8.988995      5.847528     -0.405334
  C      -9.323236      4.520449     -0.551359
  C      -8.416867      3.534871     -0.098495
  N      -7.264816      3.808838      0.490845
  C      -6.923202      5.112900      0.632347
  C      -6.558276      1.803274      6.480963
  C      -7.065611      3.245938      6.316130
  C      -8.497498      3.357392      5.825701
  O      -8.584196      2.623543      4.585851
  C      -9.683617      2.736793      3.826309
  C     -10.733872      3.615928      4.041484
  C     -11.795365      3.657120      3.110171
  N     -11.903075      2.897657      2.032131
  C     -10.901961      1.984272      1.836182
  C     -10.975249      1.103405      0.730298
  C      -9.971487      0.180075      0.533189
  C      -8.894636      0.135664      1.446954
  N      -8.785757      0.935274      2.495945
  C      -9.764370      1.854403      2.692789
  H      -2.803496     -1.622830      4.508858
  H      -3.829027     -0.478588      3.629615
  H      -0.802441     -0.300182      3.305670
  H      -1.711821     -1.539173      2.426345
  H      -1.343688      0.683809      1.158177
  H      -2.533963      1.400861      2.275522
  H      -5.381135     -1.208974      0.266574
  H      -6.977253     -0.241479     -1.377098
  H      -5.414344      3.894053     -2.547200
  H      -3.355929      5.237650     -1.964619
  H      -1.703573      4.255310     -0.353442
  H      -2.074242      5.400727      4.363494
  H      -3.189700      5.903952      5.632454
  H      -4.582649      6.139885      3.846895
  H      -4.965508      4.462472      4.267357
  H      -3.265244      3.688602      2.532538
  H      -3.110623      5.383952      1.997854
  H      -4.383720      7.108641      1.775581
  H      -5.935007      8.817232      0.916620
  H      -9.646755      6.651351     -0.738115
  H     -10.268703      4.218702     -1.004054
  H      -8.646663      2.476741     -0.233706
  H      -7.139109      1.296470      7.275917
  H      -6.746420      1.266614      5.540398
  H      -6.408129      3.749537      5.590228
  H      -6.981015      3.804528      7.262584
  H      -8.761184      4.414167      5.655648
  H      -9.222605      2.922700      6.535087
  H     -10.752898      4.286974      4.898418
  H     -12.606350      4.376056      3.274479
  H     -11.833932      1.183316      0.062153
  H      -9.997801     -0.507566     -0.312951
  H      -8.085278     -0.587751      1.311696
  N      -4.654383      1.953443      4.005784
  N      -5.325772      1.607097      3.023051
  H      -5.788459      2.385490      2.520911
101
Coordinates from ORCA-job orca E -6484.317162752876
  N      -2.604236      0.387422      5.085790
  Mo     -3.654347      2.029091      5.497008
  N      -5.144518      1.743972      6.770906
  C      -4.822043      1.698779      8.195012
  C      -3.418496      1.130138      8.377873
  N      -2.483797      1.779423      7.426574
  C      -1.309931      0.940213      7.092624
  C      -1.712397     -0.148041      6.112122
  C      -2.084922      3.138674      7.856703
  C      -1.746233      3.978499      6.635506
  N      -2.798604      3.850792      5.624076
  H      -0.793159     -0.571347      5.662991
  H      -2.204981     -0.990605      6.641998
  H      -0.570634      1.599087      6.616272
  H      -0.853704      0.516946      8.006108
  H      -1.649761      5.029826      6.962652
  H      -0.753321      3.697984      6.231101
  H      -2.945439      3.587477      8.370507
  H      -1.242362      3.089893      8.571274
  H      -5.533110      1.046008      8.735563
  H      -4.900120      2.698013      8.674046
  H      -3.437300      0.059409      8.131120
  H      -3.061408      1.242214      9.418056
  C      -2.843484     -0.595328      4.027341
  C      -1.812255     -0.523446      2.886917
  C      -2.189273      0.488162      1.819547
  O      -3.263783     -0.139062      1.066748
  C      -4.078903      0.507307      0.216914
  C      -5.215450     -0.196492     -0.169310
  C      -6.119117      0.364417     -1.082099
  N      -5.991154      1.561632     -1.641251
  C      -4.884526      2.269997     -1.282622
  C      -4.695069      3.555282     -1.849416
  C      -3.572817      4.285189     -1.534166
  C      -2.631030      3.723069     -0.642836
  N      -2.766712      2.535965     -0.076270
  C      -3.876869      1.803903     -0.367384
  C      -2.974396      5.118059      4.917386
  C      -4.131338      5.153881      3.926906
  C      -3.742885      4.681767      2.536040
  O      -4.910784      4.425523      1.726615
  C      -5.634147      5.454409      1.258978
  C      -5.274756      6.794717      1.285269
  C      -6.159836      7.754156      0.748688
  N      -7.341173      7.493617      0.210859
  C      -7.703899      6.176037      0.162775
  C      -8.951869      5.817675     -0.404118
  C      -9.304627      4.488159     -0.478695
  C      -8.409810      3.514400      0.022133
  N      -7.251224      3.803236      0.590951
  C      -6.891677      5.109004      0.661098
  C      -6.568152      1.823693      6.460151
  C      -7.065899      3.269108      6.293157
  C      -8.494651      3.383748      5.795412
  O      -8.580940      2.630734      4.567488
  C      -9.680909      2.729373      3.806901
  C     -10.730671      3.615624      4.000211
  C     -11.795562      3.629662      3.071921
  N     -11.908309      2.837434      2.017742
  C     -10.905188      1.922988      1.841274
  C     -10.980239      1.012896      0.759119
  C      -9.971174      0.091072      0.579040
  C      -8.888271      0.076763      1.487932
  N      -8.779208      0.902801      2.516290
  C      -9.762825      1.819766      2.695663
  H      -2.828185     -1.608731      4.471802
  H      -3.845936     -0.450430      3.601709
  H      -0.820132     -0.267969      3.291366
  H      -1.715604     -1.509596      2.403899
  H      -1.357912      0.716582      1.139642
  H      -2.552238      1.427963      2.256972
  H      -5.397417     -1.182288      0.260147
  H      -7.009328     -0.208944     -1.365002
  H      -5.463299      3.931966     -2.528447
  H      -3.403404      5.277013     -1.956901
  H      -1.726949      4.283247     -0.380462
  H      -2.033112      5.399770      4.397192
  H      -3.141566      5.913224      5.670941
  H      -4.530316      6.177291      3.876702
  H      -4.939094      4.506997      4.297828
  H      -3.237217      3.709735      2.573820
  H      -3.077421      5.397644      2.024513
  H      -4.329964      7.124458      1.713282
  H      -5.863515      8.808187      0.777648
  H      -9.601942      6.613465     -0.773629
  H     -10.257124      4.176467     -0.909753
  H      -8.655595      2.452654     -0.054761
  H      -7.157510      1.317328      7.249303
  H      -6.751979      1.289657      5.517402
  H      -6.402177      3.769492      5.570780
  H      -6.984783      3.826888      7.240644
  H      -8.751966      4.439248      5.610416
  H      -9.224103      2.962966      6.508893
  H     -10.747574      4.310413      4.838445
  H     -12.606250      4.351978      3.219651
  H     -11.842711      1.071936      0.092774
  H      -9.996666     -0.618223     -0.250335
  H      -8.073110     -0.643019      1.363939
  N      -4.651511      1.994203      4.000433
  N      -5.321945      1.671139      3.008582
  H      -5.773936      2.462730      2.519271
101
Coordinates from ORCA-job orca E -6484.317572826400
  N      -2.631206      0.377798      5.075475
  Mo     -3.666599      2.029046      5.488382
  N      -5.159699      1.753750      6.758916
  C      -4.839547      1.700297      8.182952
  C      -3.440576      1.120306      8.365607
  N      -2.499950      1.765920      7.417673
  C      -1.331052      0.920053      7.081342
  C      -1.738283     -0.163444      6.097490
  C      -2.094667      3.122383      7.849906
  C      -1.741766      3.959017      6.629569
  N      -2.791695      3.843132      5.612662
  H      -0.820447     -0.585061      5.644461
  H      -2.229680     -1.008231      6.625130
  H      -0.587972      1.576829      6.607791
  H      -0.876972      0.491149      7.993497
  H      -1.637079      5.009991      6.958275
  H      -0.749039      3.669861      6.228416
  H      -2.956911      3.578487      8.355579
  H      -1.258270      3.069333      8.571751
  H      -5.555833      1.050673      8.719803
  H      -4.910250      2.697849      8.664900
  H      -3.466614      0.050689      8.116163
  H      -3.084328      1.227100      9.406270
  C      -2.868531     -0.593146      4.007003
  C      -1.825757     -0.519886      2.876917
  C      -2.186515      0.500850      1.812013
  O      -3.270669     -0.104683      1.056665
  C      -4.079494      0.566297      0.218688
  C      -5.244494     -0.100653     -0.150401
  C      -6.148546      0.492940     -1.041569
  N      -5.996301      1.690192     -1.594347
  C      -4.863888      2.364411     -1.250681
  C      -4.651588      3.650745     -1.805873
  C      -3.503640      4.346371     -1.504431
  C      -2.556718      3.746002     -0.644630
  N      -2.712707      2.556870     -0.087320
  C      -3.850468      1.860491     -0.361073
  C      -2.939873      5.115803      4.906804
  C      -4.089685      5.179233      3.909049
  C      -3.701947      4.701103      2.520651
  O      -4.871742      4.434082      1.719253
  C      -5.602772      5.451825      1.240411
  C      -5.247230      6.792486      1.231230
  C      -6.133387      7.732281      0.662172
  N      -7.312251      7.453173      0.127016
  C      -7.678281      6.134867      0.131443
  C      -8.929212      5.756236     -0.415666
  C      -9.288945      4.425527     -0.422839
  C      -8.398359      3.471946      0.123122
  N      -7.234007      3.780763      0.668986
  C      -6.867251      5.087532      0.670558
  C      -6.581917      1.837280      6.443307
  C      -7.076582      3.282910      6.274451
  C      -8.505882      3.395028      5.777860
  O      -8.601213      2.616677      4.566765
  C      -9.708001      2.700080      3.815264
  C     -10.750396      3.599877      3.990156
  C     -11.823062      3.592918      3.071515
  N     -11.947655      2.772088      2.040068
  C     -10.946338      1.854614      1.875305
  C     -11.021838      0.930696      0.804124
  C     -10.007237      0.013553      0.627689
  C      -8.920560      0.014654      1.532899
  N      -8.811888      0.852801      2.551802
  C      -9.799508      1.766617      2.725458
  H      -2.866764     -1.609975      4.442242
  H      -3.866820     -0.434973      3.574657
  H      -0.838934     -0.266125      3.294981
  H      -1.722377     -1.502413      2.389198
  H      -1.350612      0.719089      1.134574
  H      -2.534630      1.444173      2.253589
  H      -5.448275     -1.082711      0.277127
  H      -7.060276     -0.050707     -1.310555
  H      -5.421834      4.054885     -2.463057
  H      -3.316801      5.339306     -1.915724
  H      -1.630925      4.276550     -0.399068
  H      -1.989882      5.381631      4.393019
  H      -3.094166      5.912028      5.663164
  H      -4.469838      6.209597      3.857031
  H      -4.911082      4.546371      4.274233
  H      -3.193831      3.731236      2.566076
  H      -3.039318      5.413536      2.003916
  H      -4.302603      7.135640      1.649277
  H      -5.838868      8.786777      0.656303
  H      -9.577465      6.536966     -0.819271
  H     -10.245714      4.099021     -0.832752
  H      -8.654565      2.409808      0.104125
  H      -7.174719      1.329860      7.229229
  H      -6.762694      1.303163      5.500605
  H      -6.411299      3.782069      5.552637
  H      -6.997920      3.840205      7.222536
  H      -8.759758      4.447866      5.574186
  H      -9.234091      2.992303      6.503638
  H     -10.755466      4.320043      4.806779
  H     -12.627612      4.323679      3.206387
  H     -11.886632      0.979297      0.139819
  H     -10.030050     -0.705059     -0.193773
  H      -8.101930     -0.701495      1.410196
  N      -4.665206      2.002320      3.992395
  N      -5.339077      1.689153      2.999831
  H      -5.786377      2.486719      2.514514
101
Coordinates from ORCA-job orca E -6484.317564039840
  N      -2.629495      0.402389      5.072237
  Mo     -3.671834      2.046205      5.502807
  N      -5.169433      1.746581      6.760561
  C      -4.856405      1.667952      8.185491
  C      -3.455448      1.091537      8.365102
  N      -2.513898      1.759037      7.433041
  C      -1.337848      0.927347      7.088411
  C      -1.731906     -0.144228      6.086920
  C      -2.121734      3.112076      7.887000
  C      -1.759629      3.965780      6.682267
  N      -2.798239      3.861069      5.651916
  H      -0.808327     -0.547998      5.628719
  H      -2.213755     -1.003490      6.601015
  H      -0.597813      1.597290      6.628933
  H      -0.884436      0.487423      7.995667
  H      -1.662587      5.013134      7.027455
  H      -0.761763      3.687338      6.286907
  H      -2.992853      3.557275      8.386103
  H      -1.295073      3.056369      8.618342
  H      -5.571942      1.004326      8.706864
  H      -4.934254      2.656742      8.685438
  H      -3.474275      0.025689      8.097311
  H      -3.105277      1.182613      9.409626
  C      -2.856249     -0.560122      3.995126
  C      -1.809963     -0.462194      2.868927
  C      -2.195968      0.530262      1.785802
  O      -3.251965     -0.122007      1.029477
  C      -4.074393      0.513165      0.175425
  C      -5.218522     -0.191196     -0.189879
  C      -6.126780      0.357651     -1.104677
  N      -5.998231      1.544949     -1.684554
  C      -4.886338      2.255787     -1.344929
  C      -4.699321      3.533183     -1.929609
  C      -3.572605      4.264929     -1.632447
  C      -2.618857      3.707736     -0.750388
  N      -2.750312      2.527622     -0.166636
  C      -3.870484      1.798557     -0.432886
  C      -2.924419      5.143721      4.959469
  C      -4.057374      5.232892      3.945495
  C      -3.651515      4.769696      2.557455
  O      -4.814205      4.492020      1.751377
  C      -5.562435      5.499767      1.279380
  C      -5.228768      6.845401      1.273619
  C      -6.122406      7.767809      0.686938
  N      -7.287571      7.466887      0.131418
  C      -7.637560      6.143102      0.145874
  C      -8.873344      5.739694     -0.418366
  C      -9.216695      4.404559     -0.406863
  C      -8.327229      3.472148      0.175884
  N      -7.174653      3.803221      0.732977
  C      -6.821658      5.114258      0.711688
  C      -6.590602      1.822539      6.439770
  C      -7.093451      3.268050      6.291643
  C      -8.523154      3.381017      5.797263
  O      -8.623350      2.606532      4.585368
  C      -9.733662      2.696494      3.842112
  C     -10.770627      3.600978      4.025398
  C     -11.847340      3.603635      3.112034
  N     -11.977088      2.791934      2.073381
  C     -10.976284      1.877327      1.894377
  C     -11.045781      0.977056      0.802234
  C     -10.027168      0.068047      0.606791
  C      -8.944467      0.050236      1.517184
  N      -8.841778      0.865587      2.554975
  C      -9.830652      1.774443      2.744219
  H      -2.841730     -1.581093      4.420908
  H      -3.856892     -0.411439      3.565481
  H      -0.837967     -0.163878      3.292657
  H      -1.662714     -1.445273      2.393950
  H      -1.361236      0.763194      1.112993
  H      -2.577022      1.468739      2.209975
  H      -5.403070     -1.167619      0.258723
  H      -7.024295     -0.213123     -1.368444
  H      -5.470802      3.901083     -2.605040
  H      -3.406306      5.253404     -2.063442
  H      -1.707586      4.265896     -0.509804
  H      -1.965409      5.408590      4.464975
  H      -3.081918      5.929465      5.724274
  H      -4.429197      6.267197      3.899594
  H      -4.888765      4.601125      4.290308
  H      -3.130360      3.805930      2.600262
  H      -2.994757      5.495152      2.050586
  H      -4.293567      7.203900      1.702028
  H      -5.844783      8.827476      0.678752
  H      -9.521550      6.503699     -0.849986
  H     -10.160976      4.059212     -0.829485
  H      -8.573498      2.407673      0.173348
  H      -7.182497      1.297849      7.215045
  H      -6.763523      1.300355      5.488930
  H      -6.428507      3.781902      5.579582
  H      -7.021765      3.809388      7.249503
  H      -8.778109      4.435122      5.597157
  H      -9.249241      2.977445      6.525297
  H     -10.768012      4.317789      4.844758
  H     -12.648455      4.336647      3.256311
  H     -11.908060      1.038741      0.136315
  H     -10.043593     -0.631646     -0.230370
  H      -8.124524     -0.661894      1.380611
  N      -4.664562      2.032797      4.002686
  N      -5.334590      1.728177      3.005215
  H      -5.779894      2.528390      2.520258
101
Coordinates from ORCA-job orca E -6484.317903942442
  N      -2.632438      0.415399      5.062476
  Mo     -3.672015      2.057766      5.500523
  N      -5.177184      1.752060      6.750206
  C      -4.870646      1.659641      8.174977
  C      -3.472258      1.078232      8.355541
  N      -2.525105      1.750750      7.434019
  C      -1.349182      0.919467      7.089349
  C      -1.739665     -0.141667      6.075165
  C      -2.132640      3.098741      7.900700
  C      -1.759783      3.961812      6.704612
  N      -2.790020      3.867138      5.664269
  H      -0.814315     -0.540392      5.617102
  H      -2.223504     -1.005919      6.577223
  H      -0.604519      1.591444      6.640765
  H      -0.902612      0.470078      7.995318
  H      -1.665122      5.005577      7.058641
  H      -0.758260      3.685439      6.315651
  H      -3.007328      3.541992      8.397347
  H      -1.310458      3.035462      8.638547
  H      -5.589899      0.992987      8.686432
  H      -4.948923      2.643260      8.684064
  H      -3.493042      0.015446      8.077337
  H      -3.126122      1.158453      9.402311
  C      -2.855296     -0.534255      3.972658
  C      -1.807492     -0.418454      2.849963
  C      -2.200781      0.586140      1.781315
  O      -3.256446     -0.058845      1.020538
  C      -4.094804      0.584790      0.190775
  C      -5.232135     -0.125560     -0.177964
  C      -6.156403      0.432173     -1.072512
  N      -6.047158      1.632439     -1.628265
  C      -4.940646      2.348064     -1.285807
  C      -4.773293      3.637853     -1.847120
  C      -3.647290      4.372061     -1.551405
  C      -2.678738      3.807383     -0.692905
  N      -2.793907      2.616674     -0.129478
  C      -3.910093      1.883407     -0.394235
  C      -2.887594      5.142921      4.956457
  C      -4.013590      5.229681      3.935304
  C      -3.611779      4.709558      2.565597
  O      -4.775407      4.423951      1.766115
  C      -5.498220      5.426504      1.248599
  C      -5.129524      6.761033      1.173618
  C      -6.000995      7.673233      0.540877
  N      -7.174076      7.372747      0.004030
  C      -7.560132      6.062941      0.091057
  C      -8.809574      5.664217     -0.445234
  C      -9.191560      4.342725     -0.356067
  C      -8.327994      3.420323      0.278609
  N      -7.162369      3.748861      0.810472
  C      -6.770859      5.045337      0.709417
  C      -6.597727      1.828986      6.424766
  C      -7.098853      3.272665      6.268775
  C      -8.532973      3.382763      5.782890
  O      -8.644396      2.593673      4.580652
  C      -9.757690      2.678908      3.840442
  C     -10.795726      3.582821      4.021950
  C     -11.871014      3.583893      3.106845
  N     -11.999276      2.772477      2.068521
  C     -10.999872      1.855697      1.893581
  C     -11.069230      0.954431      0.803269
  C     -10.055049      0.039310      0.615811
  C      -8.977602      0.015610      1.533072
  N      -8.873871      0.833123      2.568335
  C      -9.856842      1.750686      2.747450
  H      -2.841932     -1.561214      4.384812
  H      -3.854335     -0.380108      3.541679
  H      -0.836923     -0.119398      3.277810
  H      -1.654011     -1.395315      2.362537
  H      -1.369750      0.833628      1.108575
  H      -2.585492      1.516605      2.220032
  H      -5.400455     -1.112962      0.253013
  H      -7.048039     -0.144220     -1.339646
  H      -5.559750      4.013224     -2.505898
  H      -3.494415      5.369053     -1.966372
  H      -1.766160      4.366141     -0.459000
  H      -1.920448      5.380634      4.460085
  H      -3.033417      5.944959      5.708144
  H      -4.358657      6.271224      3.855038
  H      -4.862542      4.630464      4.296256
  H      -3.107799      3.739255      2.644958
  H      -2.941924      5.404793      2.034259
  H      -4.184705      7.117355      1.582002
  H      -5.696963      8.723423      0.476299
  H      -9.438223      6.421905     -0.916206
  H     -10.147278      4.000824     -0.755698
  H      -8.607449      2.366689      0.342864
  H      -7.191405      1.310524      7.201725
  H      -6.771042      1.302011      5.477153
  H      -6.438168      3.779732      5.549551
  H      -7.018552      3.819926      7.221650
  H      -8.785310      4.434141      5.570723
  H      -9.255567      2.990508      6.520596
  H     -10.793983      4.301240      4.839850
  H     -12.672730      4.316412      3.248730
  H     -11.928634      1.018381      0.133387
  H     -10.071831     -0.661999     -0.219972
  H      -8.162211     -0.702990      1.404667
  N      -4.656322      2.054022      3.993269
  N      -5.324047      1.751648      2.993246
  H      -5.749393      2.553578      2.490426
101
Coordinates from ORCA-job orca E -6484.317225297640
  N      -2.716860      0.404815      5.044346
  Mo     -3.703378      2.076196      5.490399
  N      -5.198054      1.809632      6.762009
  C      -4.877794      1.725625      8.183523
  C      -3.494338      1.105800      8.350272
  N      -2.540027      1.741308      7.410569
  C      -1.396629      0.869748      7.056409
  C      -1.834811     -0.180972      6.050153
  C      -2.097311      3.076989      7.865648
  C      -1.721211      3.927764      6.662283
  N      -2.769469      3.860889      5.637865
  H      -0.928481     -0.613544      5.584299
  H      -2.343922     -1.026037      6.559275
  H      -0.634638      1.514105      6.596799
  H      -0.955288      0.409074      7.959164
  H      -1.593581      4.967646      7.013648
  H      -0.734113      3.624642      6.258238
  H      -2.948081      3.546897      8.378069
  H      -1.263531      2.989893      8.588492
  H      -5.608100      1.083922      8.709940
  H      -4.923557      2.715444      8.683713
  H      -3.551061      0.042559      8.080465
  H      -3.131144      1.183338      9.391467
  C      -2.979747     -0.533025      3.951698
  C      -1.934517     -0.472069      2.823575
  C      -2.279286      0.565761      1.771650
  O      -3.390746     -0.003257      1.027406
  C      -4.201218      0.698206      0.215701
  C      -5.398754      0.072876     -0.120625
  C      -6.302696      0.694680     -0.991888
  N      -6.119991      1.883762     -1.552282
  C      -4.956745      2.518253     -1.241758
  C      -4.712305      3.792779     -1.810859
  C      -3.529800      4.443812     -1.547656
  C      -2.581382      3.810652     -0.712966
  N      -2.766543      2.631040     -0.143331
  C      -3.938810      1.980535     -0.376163
  C      -2.840274      5.133593      4.923290
  C      -3.971232      5.240398      3.910405
  C      -3.596017      4.706299      2.537175
  O      -4.775615      4.451223      1.751398
  C      -5.473909      5.477542      1.246839
  C      -5.056912      6.797882      1.155909
  C      -5.915567      7.742801      0.554551
  N      -7.117665      7.486983      0.062882
  C      -7.547501      6.192493      0.158108
  C      -8.829648      5.843998     -0.333643
  C      -9.255665      4.537410     -0.241091
  C      -8.404088      3.579686      0.355398
  N      -7.208709      3.861275      0.849342
  C      -6.774609      5.143427      0.743522
  C      -6.618316      1.894583      6.437709
  C      -7.107155      3.332425      6.212747
  C      -8.536319      3.416330      5.707823
  O      -8.620764      2.538866      4.564850
  C      -9.699271      2.567303      3.769806
  C     -10.728566      3.496352      3.812065
  C     -11.754435      3.424465      2.843800
  N     -11.845045      2.519894      1.881799
  C     -10.861970      1.569747      1.854396
  C     -10.904002      0.556591      0.865914
  C      -9.914191     -0.403024      0.838338
  C      -8.889200     -0.357303      1.812230
  N      -8.809528      0.568377      2.754955
  C      -9.767553      1.530536      2.775046
  H      -3.016663     -1.559243      4.364048
  H      -3.969590     -0.329007      3.520653
  H      -0.942973     -0.238198      3.244091
  H      -1.846429     -1.452063      2.326388
  H      -1.445462      0.768500      1.086981
  H      -2.596969      1.514853      2.226138
  H      -5.626882     -0.898856      0.317802
  H      -7.240058      0.181965     -1.235393
  H      -5.485602      4.223103     -2.450473
  H      -3.317227      5.427498     -1.969730
  H      -1.625394      4.302621     -0.504979
  H      -1.870526      5.340787      4.416555
  H      -2.959359      5.946110      5.669100
  H      -4.288362      6.290451      3.831164
  H      -4.832818      4.664202      4.280220
  H      -3.113986      3.724456      2.613720
  H      -2.915681      5.384267      1.994861
  H      -4.086390      7.119129      1.530760
  H      -5.575537      8.781547      0.480150
  H      -9.448099      6.628375     -0.773812
  H     -10.236735      4.232701     -0.608863
  H      -8.721006      2.538518      0.425398
  H      -7.219188      1.417340      7.235742
  H      -6.796879      1.329673      5.512715
  H      -6.442098      3.798265      5.470016
  H      -7.025529      3.928138      7.136411
  H      -8.781169      4.449549      5.415652
  H      -9.270474      3.078458      6.459541
  H     -10.753555      4.290897      4.555514
  H     -12.548581      4.177544      2.871341
  H     -11.725619      0.568566      0.147076
  H      -9.910796     -1.191876      0.084268
  H      -8.095184     -1.110564      1.810329
  N      -4.710724      2.089646      3.997920
  N      -5.404097      1.794394      3.014021
  H      -5.805891      2.598567      2.493457
101
Coordinates from ORCA-job orca E -6484.318122123724
  N      -2.678402      0.428632      5.046814
  Mo     -3.698072      2.077722      5.504832
  N      -5.190090      1.771531      6.770827
  C      -4.870017      1.675460      8.192347
  C      -3.474955      1.081742      8.355254
  N      -2.533145      1.748765      7.424649
  C      -1.370205      0.906507      7.063889
  C      -1.783729     -0.145242      6.048486
  C      -2.122698      3.090281      7.894171
  C      -1.758546      3.959359      6.701637
  N      -2.797928      3.879070      5.669737
  H      -0.867540     -0.553988      5.579778
  H      -2.274252     -1.005950      6.550815
  H      -0.622054      1.571709      6.611038
  H      -0.920233      0.447577      7.963298
  H      -1.655122      4.999385      7.063311
  H      -0.763015      3.681520      6.300872
  H      -2.985911      3.536860      8.405549
  H      -1.291890      3.015792      8.620085
  H      -5.588689      1.012942      8.710259
  H      -4.935722      2.658918      8.704548
  H      -3.508824      0.019982      8.073532
  H      -3.115580      1.155261      9.398276
  C      -2.924353     -0.512553      3.953928
  C      -1.874390     -0.427370      2.830214
  C      -2.234031      0.590334      1.762587
  O      -3.318895     -0.011885      1.006151
  C      -4.125326      0.668575      0.172956
  C      -5.308123      0.024131     -0.176263
  C      -6.204560      0.625548     -1.069963
  N      -6.026636      1.810216     -1.641928
  C      -4.875757      2.462299     -1.318013
  C      -4.637019      3.734447     -1.895430
  C      -3.469338      4.405246     -1.615223
  C      -2.528998      3.793908     -0.755161
  N      -2.709105      2.617072     -0.177865
  C      -3.868166      1.947619     -0.427977
  C      -2.879504      5.154233      4.960377
  C      -3.994917      5.249171      3.928868
  C      -3.580328      4.734553      2.559468
  O      -4.734875      4.445600      1.746837
  C      -5.455869      5.446725      1.222473
  C      -5.080208      6.778864      1.129179
  C      -5.953072      7.689459      0.495440
  N      -7.132678      7.389675     -0.026858
  C      -7.522579      6.082125      0.070998
  C      -8.776751      5.684605     -0.455360
  C      -9.161206      4.365155     -0.358898
  C      -8.296763      3.443848      0.275427
  N      -7.126926      3.771086      0.799911
  C      -6.732282      5.065741      0.690666
  C      -6.613460      1.835722      6.455277
  C      -7.124003      3.273353      6.271327
  C      -8.564234      3.362791      5.798998
  O      -8.681291      2.533955      4.624467
  C      -9.791666      2.597539      3.878253
  C     -10.829022      3.506640      4.029568
  C     -11.897706      3.485946      3.106678
  N     -12.018890      2.650733      2.086816
  C     -11.023386      1.723340      1.946367
  C     -11.088236      0.793126      0.880320
  C     -10.082135     -0.137653      0.732390
  C      -9.018494     -0.148728      1.664912
  N      -8.916269      0.698659      2.676702
  C      -9.889987      1.634096      2.815061
  H      -2.939535     -1.540465      4.364082
  H      -3.918533     -0.329560      3.523770
  H      -0.894157     -0.160727      3.256858
  H      -1.753457     -1.408407      2.342583
  H      -1.396294      0.805349      1.086952
  H      -2.581004      1.535778      2.201895
  H      -5.532704     -0.945173      0.269910
  H      -7.133797      0.101135     -1.321299
  H      -5.403315      4.147837     -2.553731
  H      -3.262201      5.388062     -2.041990
  H      -1.584991      4.302616     -0.530344
  H      -1.906945      5.382738      4.471720
  H      -3.024908      5.957751      5.709408
  H      -4.332447      6.293017      3.851008
  H      -4.850953      4.652569      4.277856
  H      -3.070934      3.766696      2.640460
  H      -2.909299      5.435826      2.035209
  H      -4.129084      7.134167      1.522706
  H      -5.644536      8.737771      0.418097
  H      -9.406339      6.441514     -0.926097
  H     -10.119188      4.022863     -0.752773
  H      -8.581234      2.392643      0.349648
  H      -7.199137      1.330744      7.247767
  H      -6.791588      1.288304      5.519529
  H      -6.474886      3.765546      5.530500
  H      -7.034082      3.844858      7.209616
  H      -8.822633      4.405771      5.553482
  H      -9.277827      2.992229      6.555426
  H     -10.830600      4.246698      4.828015
  H     -12.700453      4.222055      3.224375
  H     -11.938667      0.846407      0.198244
  H     -10.094865     -0.860819     -0.084898
  H      -8.213058     -0.883866      1.570093
  N      -4.703659      2.083166      4.011583
  N      -5.390106      1.778205      3.026527
  H      -5.807717      2.575133      2.510022
101
Coordinates from ORCA-job orca E -6484.317238335067
  N      -2.621959      0.433064      5.061222
  Mo     -3.672773      2.068467      5.500975
  N      -5.176793      1.740006      6.746040
  C      -4.872728      1.645278      8.171717
  C      -3.469790      1.075400      8.353124
  N      -2.527326      1.760031      7.435216
  C      -1.344654      0.939106      7.090142
  C      -1.726192     -0.121460      6.072298
  C      -2.146664      3.109625      7.907245
  C      -1.778964      3.982877      6.717782
  N      -2.802929      3.885556      5.672219
  H      -0.797354     -0.512544      5.613954
  H      -2.204600     -0.991173      6.571158
  H      -0.603284      1.617684      6.645664
  H      -0.897413      0.489423      7.995717
  H      -1.698525      5.025661      7.080350
  H      -0.772685      3.722101      6.330321
  H      -3.025138      3.543339      8.404663
  H      -1.325601      3.051147      8.645567
  H      -5.587588      0.971456      8.680290
  H      -4.959651      2.627190      8.683227
  H      -3.481351      0.013287      8.070957
  H      -3.125738      1.154744      9.400736
  C      -2.840866     -0.518647      3.972897
  C      -1.783513     -0.415330      2.857351
  C      -2.158022      0.586083      1.779437
  O      -3.228019     -0.043076      1.025110
  C      -4.052078      0.616972      0.192880
  C      -5.227911     -0.048569     -0.137555
  C      -6.144197      0.532300     -1.025389
  N      -5.992286      1.715547     -1.607648
  C      -4.847137      2.387126     -1.302092
  C      -4.634193      3.657816     -1.891794
  C      -3.473394      4.348705     -1.628902
  C      -2.514533      3.758832     -0.775577
  N      -2.669588      2.583905     -0.188651
  C      -3.820914      1.894439     -0.421207
  C      -2.893417      5.163292      4.966508
  C      -4.008467      5.257707      3.934331
  C      -3.591150      4.745998      2.565998
  O      -4.747886      4.438003      1.765642
  C      -5.486094      5.421861      1.234215
  C      -5.124746      6.753849      1.102848
  C      -6.006210      7.634417      0.439226
  N      -7.180233      7.305277     -0.078910
  C      -7.560137      5.998763      0.067406
  C      -8.806891      5.569368     -0.450910
  C      -9.183286      4.251754     -0.296734
  C      -8.317191      3.364862      0.384178
  N      -7.150525      3.722242      0.895083
  C      -6.763960      5.014112      0.728580
  C      -6.597412      1.793022      6.415763
  C      -7.115615      3.230581      6.254640
  C      -8.558354      3.328358      5.791374
  O      -8.692632      2.546670      4.586517
  C      -9.827430      2.638385      3.881503
  C     -10.878448      3.508034      4.141076
  C     -11.986719      3.525436      3.267083
  N     -12.131337      2.764926      2.193172
  C     -11.115571      1.885961      1.935695
  C     -11.200626      1.045548      0.798707
  C     -10.177923      0.160646      0.532619
  C      -9.074994      0.106050      1.416471
  N      -8.951301      0.871081      2.490599
  C      -9.943813      1.760824      2.747614
  H      -2.838423     -1.544491      4.387910
  H      -3.835873     -0.358359      3.534953
  H      -0.815200     -0.119132      3.290999
  H      -1.631779     -1.395665      2.377440
  H      -1.321899      0.810847      1.105255
  H      -2.524361      1.528016      2.209603
  H      -5.432516     -1.017290      0.319182
  H      -7.067541     -0.007113     -1.261902
  H      -5.414722      4.054618     -2.543020
  H      -3.286505      5.331787     -2.063041
  H      -1.577257      4.284329     -0.563157
  H      -1.921443      5.402531      4.481954
  H      -3.045813      5.962119      5.719399
  H      -4.350518      6.300430      3.856401
  H      -4.861888      4.657042      4.281952
  H      -3.068955      3.785549      2.649203
  H      -2.932169      5.453295      2.037047
  H      -4.174916      7.129352      1.480914
  H      -5.707419      8.681920      0.326127
  H      -9.435635      6.300884     -0.962889
  H     -10.135399      3.885033     -0.682388
  H      -8.592884      2.313573      0.499562
  H      -7.184859      1.270919      7.195545
  H      -6.763297      1.258060      5.470806
  H      -6.467483      3.741887      5.525603
  H      -7.029337      3.780531      7.206026
  H      -8.821511      4.378878      5.585534
  H      -9.264708      2.931444      6.541899
  H     -10.864947      4.183924      4.994566
  H     -12.802887      4.225676      3.476616
  H     -12.081574      1.127751      0.159776
  H     -10.208555     -0.496712     -0.338076
  H      -8.258227     -0.597969      1.228007
  N      -4.659509      2.045983      3.994611
  N      -5.331445      1.717518      3.007862
  H      -5.742999      2.499644      2.463871
101
Coordinates from ORCA-job orca E -6484.318308575056
  N      -2.677132      0.434977      5.046789
  Mo     -3.699082      2.082816      5.505968
  N      -5.194041      1.769311      6.766564
  C      -4.877810      1.668105      8.188429
  C      -3.482382      1.075853      8.353256
  N      -2.539488      1.748327      7.427766
  C      -1.373324      0.910801      7.067099
  C      -1.780414     -0.138264      6.046735
  C      -2.133840      3.089311      7.902122
  C      -1.763649      3.961676      6.713079
  N      -2.797681      3.884483      5.675307
  H      -0.861563     -0.539832      5.577585
  H      -2.266621     -1.003942      6.544627
  H      -0.625850      1.580147      6.619112
  H      -0.924453      0.449603      7.966006
  H      -1.663910      5.001204      7.078844
  H      -0.764883      3.686732      6.316223
  H      -3.001214      3.534095      8.409355
  H      -1.306890      3.015013      8.632991
  H      -5.597035      1.003171      8.702092
  H      -4.945641      2.649552      8.703363
  H      -3.513732      0.015207      8.067670
  H      -3.125883      1.146266      9.397347
  C      -2.915742     -0.504233      3.951338
  C      -1.860478     -0.405675      2.833378
  C      -2.227485      0.604182      1.760841
  O      -3.299473     -0.013767      0.999958
  C      -4.117727      0.655884      0.169579
  C      -5.292434     -0.004556     -0.175368
  C      -6.198598      0.582995     -1.068753
  N      -6.037965      1.768854     -1.642896
  C      -4.896055      2.437180     -1.321551
  C      -4.676561      3.711733     -1.900317
  C      -3.516153      4.397829     -1.624420
  C      -2.564391      3.799376     -0.768883
  N      -2.727049      2.621344     -0.189644
  C      -3.878505      1.936832     -0.434347
  C      -2.863620      5.160350      4.964570
  C      -3.974202      5.269001      3.929170
  C      -3.563746      4.737933      2.565332
  O      -4.723190      4.451101      1.761140
  C      -5.440855      5.452153      1.233595
  C      -5.052777      6.777851      1.113099
  C      -5.920252      7.683106      0.464612
  N      -7.105022      7.383909     -0.046515
  C      -7.510985      6.084369      0.088255
  C      -8.773354      5.688547     -0.419251
  C      -9.175536      4.377891     -0.278294
  C      -8.320865      3.464804      0.380903
  N      -7.141971      3.790580      0.885476
  C      -6.729484      5.075600      0.730290
  C      -6.616619      1.828167      6.446574
  C      -7.127673      3.264108      6.255386
  C      -8.568528      3.350996      5.784229
  O      -8.690621      2.513450      4.616577
  C      -9.798817      2.584108      3.868725
  C     -10.830295      3.501264      4.016964
  C     -11.894601      3.490605      3.089333
  N     -12.014419      2.661331      2.064249
  C     -11.022342      1.730556      1.923210
  C     -11.080737      0.813578      0.845318
  C     -10.078658     -0.121592      0.697360
  C      -9.025788     -0.150414      1.641954
  N      -8.927924      0.686401      2.662926
  C      -9.897168      1.626500      2.800820
  H      -2.926130     -1.533550      4.357763
  H      -3.909869     -0.325996      3.518627
  H      -0.888221     -0.120997      3.266689
  H      -1.718818     -1.385149      2.348336
  H      -1.388939      0.827664      1.089192
  H      -2.588658      1.546192      2.195985
  H      -5.503209     -0.975393      0.273835
  H      -7.120804      0.046777     -1.316471
  H      -5.450890      4.114288     -2.556092
  H      -3.323137      5.382620     -2.052192
  H      -1.624870      4.318809     -0.551529
  H      -1.886549      5.377703      4.478793
  H      -3.000950      5.966321      5.713165
  H      -4.293402      6.318274      3.842422
  H      -4.841290      4.689326      4.279229
  H      -3.062273      3.767192      2.656632
  H      -2.888388      5.428058      2.033849
  H      -4.094369      7.130628      1.491408
  H      -5.601347      8.725865      0.361476
  H      -9.394571      6.439629     -0.910569
  H     -10.140138      4.036400     -0.656235
  H      -8.620048      2.420715      0.489502
  H      -7.203436      1.324988      7.238993
  H      -6.791459      1.276498      5.513074
  H      -6.478169      3.752834      5.512774
  H      -7.038259      3.838665      7.191654
  H      -8.825458      4.392174      5.530342
  H      -9.281447      2.988590      6.545691
  H     -10.830043      4.239619      4.816972
  H     -12.693054      4.231301      3.206212
  H     -11.923747      0.879435      0.155235
  H     -10.087693     -0.836875     -0.126756
  H      -8.225599     -0.891373      1.548265
  N      -4.703513      2.084180      4.010735
  N      -5.392689      1.772010      3.030180
  H      -5.796559      2.563938      2.493448
101
Coordinates from ORCA-job orca E -6484.318234672118
  N      -2.702038      0.442204      5.037306
  Mo     -3.716847      2.088976      5.513255
  N      -5.199404      1.769402      6.787230
  C      -4.870167      1.666581      8.206074
  C      -3.474132      1.072071      8.356270
  N      -2.539398      1.745410      7.422905
  C      -1.379341      0.905099      7.048022
  C      -1.800576     -0.139523      6.028050
  C      -2.126198      3.084116      7.899047
  C      -1.770402      3.963529      6.710967
  N      -2.814024      3.889500      5.682949
  H      -0.887900     -0.545114      5.550170
  H      -2.287828     -1.003869      6.527250
  H      -0.633837      1.573113      6.594729
  H      -0.923456      0.439667      7.941140
  H      -1.668105      5.001269      7.080536
  H      -0.775972      3.691334      6.302547
  H      -2.985881      3.526722      8.420343
  H      -1.290088      3.004928      8.618574
  H      -5.585733      1.002588      8.726017
  H      -4.931369      2.647863      8.722532
  H      -3.509868      0.011986      8.068868
  H      -3.107236      1.139858      9.396993
  C      -2.951841     -0.486748      3.935161
  C      -1.895496     -0.399701      2.817228
  C      -2.239613      0.633273      1.759737
  O      -3.329362      0.052313      0.993415
  C      -4.123689      0.750183      0.162509
  C      -5.321696      0.130750     -0.180528
  C      -6.205928      0.746410     -1.076289
  N      -6.002512      1.923501     -1.655349
  C      -4.837877      2.552615     -1.335922
  C      -4.572764      3.815695     -1.921374
  C      -3.389496      4.461722     -1.647852
  C      -2.460181      3.834431     -0.787315
  N      -2.664968      2.665617     -0.202073
  C      -3.839737      2.020853     -0.444643
  C      -2.887862      5.161449      4.968008
  C      -3.991017      5.246946      3.922246
  C      -3.559383      4.703405      2.568701
  O      -4.702087      4.388103      1.749828
  C      -5.424090      5.373189      1.197025
  C      -5.047392      6.701418      1.061193
  C      -5.917853      7.590254      0.394038
  N      -7.095966      7.273611     -0.121748
  C      -7.488775      5.971174      0.021210
  C      -8.742929      5.557787     -0.493036
  C      -9.132168      4.244430     -0.346250
  C      -8.272171      3.345451      0.324315
  N      -7.100890      3.688007      0.836037
  C      -6.701610      4.976474      0.678599
  C      -6.624399      1.824701      6.478158
  C      -7.139750      3.260272      6.296227
  C      -8.584577      3.347292      5.839561
  O      -8.712572      2.516105      4.667576
  C      -9.824912      2.587542      3.925357
  C     -10.864936      3.490951      4.092910
  C     -11.935360      3.481347      3.172027
  N     -12.053649      2.664450      2.137189
  C     -11.054507      1.743904      1.979352
  C     -11.114522      0.835820      0.894310
  C     -10.107919     -0.091896      0.731818
  C      -9.048576     -0.122644      1.668719
  N      -8.948261      0.706871      2.695698
  C      -9.922532      1.640257      2.848021
  H      -2.979359     -1.518383      4.334972
  H      -3.942198     -0.289303      3.502473
  H      -0.915390     -0.145275      3.251862
  H      -1.779360     -1.376494      2.319658
  H      -1.396938      0.844959      1.089544
  H      -2.575895      1.578164      2.208749
  H      -5.566259     -0.830940      0.271273
  H      -7.146253      0.240837     -1.323994
  H      -5.331073      4.241637     -2.580446
  H      -3.161513      5.437124     -2.080548
  H      -1.503924      4.322864     -0.569606
  H      -1.909996      5.385879      4.487441
  H      -3.040340      5.970045      5.710475
  H      -4.320213      6.291559      3.822144
  H      -4.855205      4.661005      4.269635
  H      -3.045299      3.741040      2.680148
  H      -2.886338      5.396252      2.036229
  H      -4.095941      7.069268      1.442988
  H      -5.608291      8.635087      0.281601
  H      -9.368214      6.298347     -0.994180
  H     -10.090328      3.889602     -0.728378
  H      -8.562059      2.299614      0.441375
  H      -7.204527      1.317651      7.273061
  H      -6.804776      1.275738      5.543744
  H      -6.499016      3.751899      5.547984
  H      -7.041086      3.832036      7.233324
  H      -8.845089      4.389424      5.592769
  H      -9.290324      2.979386      6.604845
  H     -10.867677      4.217285      4.903542
  H     -12.742134      4.210171      3.304825
  H     -11.962718      0.902151      0.210555
  H     -10.118237     -0.799096     -0.099106
  H      -8.245102     -0.858785      1.563953
  N      -4.736472      2.096416      4.028296
  N      -5.437683      1.783466      3.057314
  H      -5.842327      2.574281      2.519799
101
Coordinates from ORCA-job orca E -6484.318446521817
  N      -2.673061      0.452652      5.040200
  Mo     -3.700992      2.094051      5.508667
  N      -5.195808      1.761204      6.764956
  C      -4.880673      1.652660      8.186659
  C      -3.482716      1.065881      8.349359
  N      -2.542401      1.749656      7.429433
  C      -1.372276      0.919853      7.064210
  C      -1.775174     -0.124138      6.037053
  C      -2.143252      3.088782      7.914771
  C      -1.777133      3.974065      6.734059
  N      -2.807438      3.898960      5.692977
  H      -0.854845     -0.520725      5.566484
  H      -2.259714     -0.994066      6.529162
  H      -0.627128      1.594992      6.621004
  H      -0.922280      0.454679      7.960473
  H      -1.685979      5.010941      7.109216
  H      -0.775581      3.709861      6.337024
  H      -3.012172      3.524813      8.426601
  H      -1.315560      3.012261      8.644547
  H      -5.598013      0.982497      8.695878
  H      -4.952519      2.630985      8.706950
  H      -3.508777      0.007117      8.056492
  H      -3.127318      1.130936      9.394223
  C      -2.908909     -0.481606      3.939825
  C      -1.850874     -0.378051      2.825204
  C      -2.217238      0.638026      1.759605
  O      -3.287548      0.022748      0.993019
  C      -4.107614      0.695428      0.166423
  C      -5.282276      0.034717     -0.179577
  C      -6.186885      0.620975     -1.074744
  N      -6.026544      1.807587     -1.647596
  C      -4.886618      2.477726     -1.323234
  C      -4.668389      3.753497     -1.900270
  C      -3.509996      4.441380     -1.620916
  C      -2.559039      3.843811     -0.763246
  N      -2.720381      2.664471     -0.186346
  C      -3.869701      1.977936     -0.434628
  C      -2.871788      5.173867      4.981719
  C      -3.965414      5.269718      3.927417
  C      -3.528116      4.726263      2.576111
  O      -4.671182      4.419165      1.756647
  C      -5.385598      5.408384      1.202803
  C      -4.994013      6.730043      1.049951
  C      -5.855949      7.619703      0.372934
  N      -7.038114      7.309321     -0.137301
  C      -7.447268      6.014446      0.027625
  C      -8.706605      5.607982     -0.478892
  C      -9.113012      4.302655     -0.306310
  C      -8.265251      3.405514      0.382704
  N      -7.088203      3.741663      0.885159
  C      -6.671734      5.021331      0.700501
  C      -6.618508      1.809134      6.442968
  C      -7.137900      3.242907      6.258689
  C      -8.585075      3.327596      5.808240
  O      -8.724258      2.496824      4.636995
  C      -9.844177      2.575584      3.906969
  C     -10.882937      3.476341      4.097830
  C     -11.966517      3.474430      3.192804
  N     -12.098459      2.667517      2.151769
  C     -11.099548      1.751311      1.969340
  C     -11.174437      0.854521      0.875934
  C     -10.170549     -0.071633      0.690103
  C      -9.098049     -0.111370      1.611520
  N      -8.983179      0.708000      2.645296
  C      -9.955225      1.639806      2.820690
  H      -2.922541     -1.512951      4.340986
  H      -3.901130     -0.299535      3.504756
  H      -0.879355     -0.095710      3.261740
  H      -1.708256     -1.354679      2.334370
  H      -1.377843      0.867380      1.091107
  H      -2.580317      1.576429      2.201553
  H      -5.491837     -0.937005      0.268040
  H      -7.106980      0.082413     -1.326263
  H      -5.442088      4.155544     -2.557039
  H      -3.318217      5.427613     -2.046489
  H      -1.622178      4.365853     -0.541298
  H      -1.888623      5.397736      4.511345
  H      -3.028053      5.980007      5.726277
  H      -4.285367      6.317415      3.826548
  H      -4.836682      4.689651      4.266977
  H      -3.019626      3.761366      2.688960
  H      -2.849617      5.416081      2.047244
  H      -4.035916      7.090944      1.421603
  H      -5.534286      8.659054      0.244426
  H      -9.321142      6.347357     -0.995679
  H     -10.075332      3.952706     -0.682416
  H      -8.567827      2.365542      0.518424
  H      -7.202246      1.299951      7.233809
  H      -6.789990      1.259114      5.507493
  H      -6.499317      3.735479      5.509158
  H      -7.038434      3.814846      7.195652
  H      -8.847472      4.369228      5.562180
  H      -9.285873      2.961040      6.578660
  H     -10.875689      4.193565      4.916533
  H     -12.772803      4.199952      3.345312
  H     -12.032639      0.926877      0.205550
  H     -10.193618     -0.771631     -0.146498
  H      -8.297289     -0.847476      1.488577
  N      -4.705092      2.093832      4.012098
  N      -5.398083      1.770765      3.038638
  H      -5.787533      2.553868      2.477420
101
Coordinates from ORCA-job orca E -6484.318408227186
  N      -2.694020      0.448562      5.035093
  Mo     -3.706392      2.101043      5.499803
  N      -5.198951      1.781366      6.761991
  C      -4.880550      1.677855      8.183209
  C      -3.486145      1.082449      8.344225
  N      -2.544216      1.755502      7.418130
  C      -1.381919      0.915031      7.052027
  C      -1.797523     -0.130780      6.031791
  C      -2.133191      3.093323      7.897010
  C      -1.764932      3.971837      6.711974
  N      -2.799804      3.900713      5.675247
  H      -0.882318     -0.537576      5.559866
  H      -2.287452     -0.994136      6.530263
  H      -0.633505      1.582403      6.602530
  H      -0.931720      0.450651      7.948635
  H      -1.665630      5.009242      7.083857
  H      -0.766735      3.699897      6.311965
  H      -2.996827      3.537817      8.410268
  H      -1.303549      3.013321      8.624047
  H      -5.600674      1.014731      8.697728
  H      -4.944396      2.659192      8.698880
  H      -3.520292      0.022526      8.056451
  H      -3.126902      1.150012      9.387541
  C      -2.942806     -0.490401      3.941531
  C      -1.880047     -0.419730      2.828531
  C      -2.218517      0.596080      1.752913
  O      -3.304829      0.004278      0.990930
  C      -4.099459      0.695541      0.155142
  C      -5.299692      0.077206     -0.182017
  C      -6.183540      0.690339     -1.080066
  N      -5.978487      1.864830     -1.663964
  C      -4.812220      2.493031     -1.348571
  C      -4.547260      3.755849     -1.934636
  C      -3.363864      4.401939     -1.661028
  C      -2.434334      3.775042     -0.800757
  N      -2.638628      2.606485     -0.215248
  C      -3.813404      1.962048     -0.457768
  C      -2.862991      5.177619      4.967016
  C      -3.964563      5.283647      3.921987
  C      -3.542465      4.747637      2.562987
  O      -4.695417      4.440703      1.757000
  C      -5.425822      5.429822      1.223762
  C      -5.045994      6.755060      1.073611
  C      -5.925508      7.643229      0.417704
  N      -7.114405      7.328409     -0.074025
  C      -7.512418      6.030028      0.090507
  C      -8.778394      5.618723     -0.395125
  C      -9.172900      4.309558     -0.223628
  C      -8.307003      3.413579      0.444205
  N      -7.123178      3.754242      0.927690
  C      -6.718468      5.037933      0.743124
  C      -6.622050      1.828292      6.441512
  C      -7.144897      3.259871      6.250174
  C      -8.593136      3.336036      5.801119
  O      -8.728817      2.493382      4.637986
  C      -9.846252      2.560824      3.903271
  C     -10.888237      3.461283      4.078140
  C     -11.965017      3.448718      3.165042
  N     -12.086349      2.633721      2.128810
  C     -11.083662      1.718887      1.961244
  C     -11.144117      0.817396      0.870469
  C     -10.134113     -0.104763      0.697638
  C      -9.070730     -0.136349      1.629783
  N      -8.968755      0.688197      2.660873
  C      -9.946657      1.616036      2.823675
  H      -2.976678     -1.517480      4.352223
  H      -3.930582     -0.293741      3.502316
  H      -0.903486     -0.156331      3.265454
  H      -1.758479     -1.403247      2.346491
  H      -1.372550      0.797351      1.083406
  H      -2.556858      1.547823      2.185566
  H      -5.546043     -0.880934      0.276220
  H      -7.125528      0.186608     -1.323285
  H      -5.306444      4.182259     -2.592192
  H      -3.136290      5.377698     -2.092811
  H      -1.478288      4.263523     -0.583604
  H      -1.882246      5.399061      4.490460
  H      -3.009979      5.981939      5.715586
  H      -4.281599      6.332971      3.830277
  H      -4.834805      4.704677      4.265546
  H      -3.030195      3.783710      2.665629
  H      -2.872145      5.441153      2.029201
  H      -4.083531      7.119719      1.429648
  H      -5.612885      8.685230      0.290150
  H      -9.407449      6.357585     -0.894991
  H     -10.139759      3.955731     -0.584067
  H      -8.600880      2.371111      0.579561
  H      -7.204434      1.321748      7.235227
  H      -6.793608      1.273457      5.508989
  H      -6.508895      3.749497      5.496585
  H      -7.045537      3.837766      7.183638
  H      -8.860240      4.374436      5.546200
  H      -9.291607      2.973109      6.575375
  H     -10.887920      4.187127      4.889459
  H     -12.773197      4.174783      3.304328
  H     -11.995619      0.884192      0.190921
  H     -10.144959     -0.807567     -0.137191
  H      -8.265167     -0.868796      1.516264
  N      -4.717510      2.103553      4.007750
  N      -5.419397      1.783286      3.039952
  H      -5.801344      2.567963      2.475533
101
Coordinates from ORCA-job orca E -6484.318531354133
  N      -2.700989      0.453534      5.032216
  Mo     -3.715744      2.101416      5.507285
  N      -5.202258      1.771913      6.774179
  C      -4.878429      1.664189      8.193751
  C      -3.482016      1.071696      8.347185
  N      -2.545935      1.751374      7.419973
  C      -1.382403      0.916013      7.045850
  C      -1.798601     -0.127070      6.022848
  C      -2.137963      3.088675      7.903026
  C      -1.776332      3.973764      6.720589
  N      -2.812797      3.902975      5.685356
  H      -0.883939     -0.528818      5.545752
  H      -2.283703     -0.994179      6.519425
  H      -0.637888      1.587586      6.596078
  H      -0.927166      0.449510      7.938824
  H      -1.680277      5.010089      7.096498
  H      -0.777838      3.707312      6.317203
  H      -3.001478      3.528069      8.421174
  H      -1.305542      3.008460      8.627036
  H      -5.595246      0.997969      8.708778
  H      -4.942205      2.643654      8.712860
  H      -3.514335      0.012818      8.055526
  H      -3.118791      1.136351      9.389302
  C      -2.947976     -0.478873      3.932842
  C      -1.883993     -0.395959      2.821761
  C      -2.224525      0.626572      1.753237
  O      -3.302026      0.033914      0.979336
  C      -4.097059      0.725588      0.144070
  C      -5.287718      0.097504     -0.208103
  C      -6.168240      0.706133     -1.112394
  N      -5.969140      1.885325     -1.688588
  C      -4.813481      2.524195     -1.357034
  C      -4.555669      3.792310     -1.934577
  C      -3.381980      4.449382     -1.645381
  C      -2.455021      3.828172     -0.778425
  N      -2.652874      2.654559     -0.201155
  C      -3.818248      1.998887     -0.458604
  C      -2.874605      5.178359      4.974365
  C      -3.965380      5.277234      3.917090
  C      -3.525542      4.733931      2.566119
  O      -4.666352      4.414458      1.747740
  C      -5.394736      5.395318      1.196381
  C      -5.016567      6.719426      1.032566
  C      -5.892010      7.596744      0.356833
  N      -7.075683      7.272747     -0.141512
  C      -7.472727      5.975979      0.036833
  C      -8.734022      5.555740     -0.453584
  C      -9.128740      4.248949     -0.265526
  C      -8.267522      3.364163      0.422648
  N      -7.087574      3.713298      0.909388
  C      -6.682538      4.994525      0.709586
  C      -6.626361      1.815193      6.458674
  C      -7.150136      3.247102      6.273582
  C      -8.600625      3.326517      5.833553
  O      -8.744404      2.487184      4.669026
  C      -9.862493      2.564914      3.936534
  C     -10.900653      3.468204      4.119623
  C     -11.978300      3.467342      3.207468
  N     -12.103543      2.661384      2.164670
  C     -11.104674      1.743827      1.989110
  C     -11.169754      0.851041      0.891636
  C     -10.165198     -0.075831      0.712450
  C      -9.102359     -0.120731      1.644829
  N      -8.995664      0.696136      2.681455
  C      -9.968166      1.628614      2.850403
  H      -2.979600     -1.509031      4.336072
  H      -3.935929     -0.281359      3.494470
  H      -0.909407     -0.131096      3.262357
  H      -1.756800     -1.375467      2.332806
  H      -1.376505      0.839210      1.090024
  H      -2.571418      1.572190      2.192581
  H      -5.528454     -0.865880      0.241990
  H      -7.101709      0.193677     -1.368700
  H      -5.312473      4.213840     -2.598367
  H      -3.160087      5.429467     -2.070116
  H      -1.506674      4.325737     -0.548712
  H      -1.890095      5.402254      4.506498
  H      -3.031813      5.983871      5.719720
  H      -4.282708      6.325613      3.816159
  H      -4.838490      4.698414      4.253828
  H      -3.009186      3.773660      2.681957
  H      -2.852765      5.427400      2.035412
  H      -4.058126      7.091200      1.392278
  H      -5.580544      8.637693      0.218381
  H      -9.359548      6.286379     -0.969644
  H     -10.092315      3.888553     -0.628261
  H      -8.561976      2.323810      0.573114
  H      -7.205474      1.305562      7.252688
  H      -6.800168      1.262707      5.525192
  H      -6.518124      3.738174      5.517587
  H      -7.044871      3.821960      7.208171
  H      -8.866985      4.365894      5.582116
  H      -9.295360      2.963349      6.611141
  H     -10.896623      4.187402      4.936755
  H     -12.783927      4.194841      3.353725
  H     -12.020953      0.927377      0.212700
  H     -10.180523     -0.772546     -0.127280
  H      -8.301656     -0.857931      1.527230
  N      -4.735245      2.102579      4.020539
  N      -5.443208      1.776741      3.059407
  H      -5.827286      2.557181      2.490429
101
Coordinates from ORCA-job orca E -6484.318478520991
  N      -2.690163      0.463637      5.028343
  Mo     -3.707497      2.109587      5.503968
  N      -5.202702      1.772630      6.758623
  C      -4.887849      1.659044      8.180045
  C      -3.491659      1.067194      8.340134
  N      -2.549770      1.751414      7.421878
  C      -1.383564      0.918082      7.051390
  C      -1.793291     -0.120937      6.021717
  C      -2.144983      3.086904      7.913297
  C      -1.775821      3.977310      6.737399
  N      -2.805075      3.910113      5.695469
  H      -0.875965     -0.521278      5.548595
  H      -2.281781     -0.989747      6.512178
  H      -0.636549      1.591640      6.608813
  H      -0.933578      0.447997      7.945130
  H      -1.682760      5.012325      7.118269
  H      -0.774363      3.713088      6.339775
  H      -3.011673      3.523719      8.428101
  H      -1.317112      3.003659      8.641877
  H      -5.607368      0.990042      8.687713
  H      -4.955879      2.636314      8.702989
  H      -3.521491      0.009515      8.043608
  H      -3.134990      1.127541      9.384843
  C      -2.935735     -0.466778      3.927465
  C      -1.874301     -0.379533      2.814543
  C      -2.217384      0.651392      1.755382
  O      -3.304034      0.067060      0.986887
  C      -4.103882      0.762102      0.158445
  C      -5.302796      0.139660     -0.176266
  C      -6.190591      0.748330     -1.073007
  N      -5.992061      1.923563     -1.657341
  C      -4.829128      2.557820     -1.342412
  C      -4.570972      3.820803     -1.931102
  C      -3.389379      4.472247     -1.661748
  C      -2.454595      3.850043     -0.803493
  N      -2.652480      2.681415     -0.216077
  C      -3.825610      2.031590     -0.453377
  C      -2.861843      5.185764      4.985876
  C      -3.947667      5.282096      3.924085
  C      -3.506201      4.717144      2.582820
  O      -4.646742      4.395794      1.765523
  C      -5.363707      5.375672      1.198613
  C      -4.970788      6.693123      1.016933
  C      -5.833170      7.569425      0.323234
  N      -7.017501      7.250015     -0.176971
  C      -7.429496      5.960432      0.019889
  C      -8.692185      5.546067     -0.471419
  C      -9.103753      4.247813     -0.262014
  C      -8.257533      3.365609      0.447915
  N      -7.075527      3.709029      0.934102
  C      -6.653982      4.981517      0.713462
  C      -6.625222      1.813041      6.434943
  C      -7.152408      3.243057      6.244198
  C      -8.606403      3.316816      5.814791
  O      -8.760495      2.469146      4.657317
  C      -9.883930      2.545569      3.933136
  C     -10.919992      3.449526      4.123433
  C     -12.007728      3.444721      3.223443
  N     -12.144880      2.633588      2.186229
  C     -11.148048      1.715064      2.003922
  C     -11.226910      0.815735      0.912708
  C     -10.225491     -0.113189      0.726999
  C      -9.151461     -0.153032      1.646268
  N      -9.031949      0.669679      2.677144
  C     -10.001633      1.604059      2.852476
  H      -2.966535     -1.497949      4.328445
  H      -3.923935     -0.268747      3.490175
  H      -0.897140     -0.120337      3.253031
  H      -1.751478     -1.356001      2.318308
  H      -1.373545      0.864368      1.087381
  H      -2.556495      1.595630      2.203755
  H      -5.543611     -0.820061      0.281352
  H      -7.130101      0.239615     -1.315590
  H      -5.333067      4.242580     -2.588337
  H      -3.166497      5.447753     -2.096678
  H      -1.499501      4.342249     -0.590656
  H      -1.875071      5.408243      4.522924
  H      -3.022660      5.992143      5.729176
  H      -4.255870      6.331985      3.809498
  H      -4.826837      4.714266      4.263955
  H      -2.998436      3.754163      2.714495
  H      -2.825353      5.397541      2.045182
  H      -4.010058      7.060456      1.375938
  H      -5.509764      8.604991      0.170687
  H      -9.304767      6.274375     -1.005541
  H     -10.069227      3.892254     -0.624299
  H      -8.565637      2.331792      0.615883
  H      -7.206819      1.304353      7.227672
  H      -6.793797      1.258336      5.501789
  H      -6.526073      3.731027      5.481293
  H      -7.042139      3.823613      7.174686
  H      -8.877131      4.353987      5.558443
  H      -9.293806      2.958141      6.600959
  H     -10.907617      4.171370      4.938034
  H     -12.812142      4.172290      3.375877
  H     -12.086507      0.888346      0.244163
  H     -10.252437     -0.815695     -0.107354
  H      -8.353336     -0.892108      1.523475
  N      -4.714845      2.116358      4.008449
  N      -5.418710      1.792741      3.043584
  H      -5.786756      2.573346      2.462628
101
Coordinates from ORCA-job orca E -6484.318561063229
  N      -2.698072      0.460101      5.028963
  Mo     -3.712488      2.107724      5.505956
  N      -5.201955      1.772182      6.767703
  C      -4.881629      1.661297      8.187922
  C      -3.485145      1.069107      8.343256
  N      -2.547310      1.752040      7.419983
  C      -1.382665      0.918427      7.045505
  C      -1.797075     -0.122492      6.019735
  C      -2.140592      3.087857      7.908346
  C      -1.776616      3.977404      6.729952
  N      -2.810045      3.909146      5.691971
  H      -0.881818     -0.523935      5.543581
  H      -2.283486     -0.990253      6.514039
  H      -0.638067      1.591514      6.598143
  H      -0.928265      0.450161      7.937973
  H      -1.682683      5.012609      7.109811
  H      -0.776674      3.713447      6.328381
  H      -3.005109      3.525188      8.426504
  H      -1.309514      3.005244      8.633508
  H      -5.599589      0.993870      8.699824
  H      -4.946766      2.639679      8.709044
  H      -3.516247      0.010949      8.048705
  H      -3.124174      1.131260      9.386365
  C      -2.947709     -0.473030      3.931175
  C      -1.886862     -0.390315      2.817127
  C      -2.228748      0.635962      1.752931
  O      -3.311140      0.047582      0.982115
  C      -4.107416      0.740306      0.148777
  C      -5.302256      0.115076     -0.194687
  C      -6.185093      0.722482     -1.097304
  N      -5.985221      1.898786     -1.679100
  C      -4.826227      2.535553     -1.355294
  C      -4.567552      3.800385     -1.939660
  C      -3.389986      4.454779     -1.659913
  C      -2.460259      3.834257     -0.795261
  N      -2.658949      2.664016     -0.211545
  C      -3.827851      2.010793     -0.459726
  C      -2.872239      5.186789      4.985763
  C      -3.956530      5.284604      3.922230
  C      -3.509461      4.735882      2.575812
  O      -4.646520      4.412108      1.754306
  C      -5.374075      5.391217      1.199019
  C      -4.993568      6.713753      1.028442
  C      -5.867013      7.589131      0.347634
  N      -7.051206      7.264568     -0.149431
  C      -7.450948      5.969620      0.036258
  C      -8.713134      5.549400     -0.451669
  C      -9.111509      4.245189     -0.254704
  C      -8.252977      3.362783      0.439726
  N      -7.071449      3.711677      0.923107
  C      -6.662843      4.990455      0.714935
  C      -6.625212      1.812417      6.448019
  C      -7.151402      3.243101      6.260259
  C      -8.604011      3.319242      5.826559
  O      -8.753191      2.474035      4.666687
  C      -9.869925      2.555124      3.932748
  C     -10.904681      3.462730      4.113153
  C     -11.982259      3.463338      3.200974
  N     -12.110798      2.654430      2.160856
  C     -11.115770      1.732055      1.988497
  C     -11.185642      0.834400      0.895287
  C     -10.186001     -0.098474      0.720141
  C      -9.122640     -0.143723      1.651687
  N      -9.011525      0.677482      2.684512
  C      -9.979538      1.615373      2.849836
  H      -2.979133     -1.503052      4.335068
  H      -3.936479     -0.275172      3.495069
  H      -0.909737     -0.129480      3.254705
  H      -1.764197     -1.368860      2.324945
  H      -1.383008      0.848076      1.086862
  H      -2.571149      1.581153      2.196722
  H      -5.543794     -0.845591      0.260615
  H      -7.121385      0.211809     -1.347188
  H      -5.326536      4.221386     -2.601407
  H      -3.166847      5.431976     -2.090780
  H      -1.508659      4.329312     -0.573736
  H      -1.885679      5.415854      4.525182
  H      -3.037567      5.989350      5.732351
  H      -4.271039      6.333456      3.816669
  H      -4.832513      4.707893      4.255290
  H      -2.993128      3.776420      2.698960
  H      -2.834398      5.427337      2.045052
  H      -4.034340      7.085839      1.386105
  H      -5.553384      8.628848      0.203609
  H      -9.336076      6.278180     -0.973071
  H     -10.076008      3.884987     -0.615018
  H      -8.550604      2.324547      0.598143
  H      -7.205491      1.302262      7.240791
  H      -6.795535      1.259157      5.514388
  H      -6.522904      3.732462      5.500109
  H      -7.042747      3.820910      7.192616
  H      -8.872723      4.357123      5.571387
  H      -9.294676      2.959226      6.609234
  H     -10.898303      4.183809      4.928544
  H     -12.785425      4.193956      3.345354
  H     -12.037147      0.911316      0.216913
  H     -10.206246     -0.799860     -0.115392
  H      -8.325865     -0.885609      1.537325
  N      -4.729338      2.110426      4.016723
  N      -5.439011      1.782415      3.057809
  H      -5.814792      2.560475      2.478490
101
Coordinates from ORCA-job orca E -6484.318570374961
  N      -2.706227      0.460704      5.025776
  Mo     -3.715944      2.110830      5.504517
  N      -5.203176      1.777122      6.769411
  C      -4.880407      1.666980      8.189039
  C      -3.484640      1.072682      8.341972
  N      -2.547786      1.753566      7.416251
  C      -1.385626      0.917540      7.039364
  C      -1.804480     -0.123208      6.015198
  C      -2.137499      3.088688      7.903625
  C      -1.774467      3.977673      6.724434
  N      -2.809816      3.910745      5.688314
  H      -0.891037     -0.526908      5.537487
  H      -2.291717     -0.989633      6.511011
  H      -0.640972      1.589055      6.589690
  H      -0.929761      0.448988      7.930949
  H      -1.678517      5.012752      7.104129
  H      -0.775512      3.712401      6.321150
  H      -3.000072      3.527614      8.423739
  H      -1.304902      3.004525      8.626951
  H      -5.598447      1.001189      8.702863
  H      -4.942883      2.645871      8.709424
  H      -3.518036      0.014416      8.048253
  H      -3.121301      1.135033      9.384201
  C      -2.958599     -0.472053      3.928160
  C      -1.895375     -0.395265      2.815950
  C      -2.229184      0.632546      1.750642
  O      -3.310838      0.048717      0.975533
  C      -4.100207      0.745441      0.139188
  C      -5.295215      0.125008     -0.212450
  C      -6.170974      0.737678     -1.118417
  N      -5.964132      1.915100     -1.695575
  C      -4.805108      2.547376     -1.363130
  C      -4.540069      3.814050     -1.940579
  C      -3.362693      4.464502     -1.651036
  C      -2.439435      3.838111     -0.783707
  N      -2.644297      2.665977     -0.206032
  C      -3.813195      2.016610     -0.463980
  C      -2.871631      5.188221      4.981790
  C      -3.955310      5.285762      3.917595
  C      -3.509763      4.731463      2.572838
  O      -4.647610      4.405650      1.753028
  C      -5.377122      5.383548      1.198018
  C      -4.997694      6.705891      1.023772
  C      -5.873391      7.579574      0.343712
  N      -7.058873      7.253574     -0.149348
  C      -7.457625      5.958940      0.040280
  C      -8.721123      5.537222     -0.442987
  C      -9.118367      4.233211     -0.242278
  C      -8.257344      3.352509      0.451211
  N      -7.074679      3.703032      0.930588
  C      -6.667151      4.981527      0.718685
  C      -6.626915      1.816084      6.451807
  C      -7.153928      3.246069      6.261171
  C      -8.607928      3.320319      5.831966
  O      -8.760461      2.470296      4.676021
  C      -9.876038      2.552387      3.940589
  C     -10.908893      3.463024      4.116898
  C     -11.984159      3.464891      3.201998
  N     -12.112065      2.654789      2.162705
  C     -11.119060      1.729494      1.994421
  C     -11.187408      0.831573      0.901334
  C     -10.188667     -0.102851      0.729078
  C      -9.128109     -0.149733      1.663752
  N      -9.018507      0.671658      2.696592
  C      -9.985495      1.611090      2.859009
  H      -2.994890     -1.501515      4.332885
  H      -3.945938     -0.270419      3.490316
  H      -0.917652     -0.139854      3.255329
  H      -1.777114     -1.374567      2.324232
  H      -1.380132      0.841429      1.087686
  H      -2.569502      1.579066      2.193270
  H      -5.542389     -0.835986      0.239112
  H      -7.107387      0.230723     -1.375060
  H      -5.294345      4.239800     -2.604524
  H      -3.134870      5.443071     -2.076191
  H      -1.488197      4.330231     -0.554306
  H      -1.884745      5.417304      4.521705
  H      -3.037591      5.991084      5.728097
  H      -4.266618      6.335201      3.808832
  H      -4.833027      4.712643      4.252247
  H      -2.994447      3.771926      2.699384
  H      -2.834284      5.420095      2.039152
  H      -4.037741      7.079185      1.378124
  H      -5.560569      8.619033      0.196695
  H      -9.345994      6.264819     -0.963854
  H     -10.083801      3.871889     -0.598963
  H      -8.553742      2.314372      0.612395
  H      -7.205825      1.307644      7.246651
  H      -6.798543      1.260515      5.519799
  H      -6.528075      3.732944      5.497290
  H      -7.042138      3.826885      7.191303
  H      -8.877745      4.357062      5.573676
  H      -9.295967      2.963003      6.618171
  H     -10.902667      4.185556      4.931016
  H     -12.785619      4.197998      3.342971
  H     -12.036608      0.910125      0.220212
  H     -10.207604     -0.804124     -0.106643
  H      -8.332019     -0.892735      1.551745
  N      -4.737789      2.114494      4.018398
  N      -5.452747      1.786089      3.063701
  H      -5.826996      2.563580      2.482480
101
Coordinates from ORCA-job orca E -6484.318582237090
  N      -2.710881      0.463287      5.022920
  Mo     -3.715424      2.116249      5.503591
  N      -5.202101      1.781638      6.768787
  C      -4.878901      1.670799      8.188236
  C      -3.483726      1.074655      8.340048
  N      -2.546866      1.755143      7.413908
  C      -1.386388      0.917916      7.034472
  C      -1.808673     -0.122124      6.011145
  C      -2.133860      3.088831      7.902894
  C      -1.770431      3.979242      6.724831
  N      -2.806164      3.914818      5.689115
  H      -0.896757     -0.528038      5.532422
  H      -2.297098     -0.987331      6.507993
  H      -0.642081      1.588765      6.583196
  H      -0.929028      0.448737      7.924973
  H      -1.673549      5.013657      7.106267
  H      -0.771738      3.713870      6.320852
  H      -2.995175      3.528371      8.424627
  H      -1.300637      3.002039      8.625168
  H      -5.597643      1.005984      8.702358
  H      -4.939596      2.649724      8.708828
  H      -3.518603      0.016553      8.045884
  H      -3.119369      1.136174      9.381975
  C      -2.969917     -0.471555      3.928759
  C      -1.910405     -0.400822      2.812683
  C      -2.242492      0.628253      1.748080
  O      -3.328974      0.049091      0.976146
  C      -4.115912      0.747923      0.139443
  C      -5.313721      0.131701     -0.210281
  C      -6.187644      0.746221     -1.116746
  N      -5.976518      1.921930     -1.695963
  C      -4.815111      2.550405     -1.364680
  C      -4.545990      3.815499     -1.943697
  C      -3.366158      4.462191     -1.655402
  C      -2.444603      3.833571     -0.787904
  N      -2.653235      2.662907     -0.208793
  C      -3.824563      2.017251     -0.465334
  C      -2.870488      5.195196      4.988248
  C      -3.949766      5.293821      3.919965
  C      -3.499964      4.740223      2.576154
  O      -4.635497      4.410392      1.754614
  C      -5.371162      5.386376      1.204189
  C      -4.997338      6.710278      1.029874
  C      -5.879499      7.581902      0.355561
  N      -7.066599      7.252549     -0.131579
  C      -7.459878      5.956293      0.058346
  C      -8.724917      5.531010     -0.417788
  C      -9.116564      4.225430     -0.216765
  C      -8.248532      3.346645      0.470201
  N      -7.064307      3.700596      0.943192
  C      -6.662102      4.980661      0.730765
  C      -6.625722      1.818023      6.450577
  C      -7.153970      3.246808      6.254691
  C      -8.608852      3.318091      5.827813
  O      -8.763189      2.459254      4.678541
  C      -9.871114      2.546858      3.932672
  C     -10.897171      3.468123      4.092716
  C     -11.962059      3.475238      3.165815
  N     -12.086101      2.660841      2.129357
  C     -11.100519      1.724799      1.977477
  C     -11.164311      0.822525      0.887678
  C     -10.171641     -0.121013      0.730579
  C      -9.122205     -0.172871      1.677403
  N      -9.017446      0.651891      2.708022
  C      -9.978039      1.600265      2.855440
  H      -3.007954     -1.499852      4.336364
  H      -3.958185     -0.268180      3.493804
  H      -0.929391     -0.151125      3.248067
  H      -1.799745     -1.380947      2.320712
  H      -1.394471      0.833106      1.082627
  H      -2.577157      1.576309      2.191634
  H      -5.564276     -0.827498      0.243217
  H      -7.126156      0.242527     -1.372202
  H      -5.299296      4.243155     -2.607651
  H      -3.135093      5.439470     -2.081744
  H      -1.491579      4.322737     -0.559583
  H      -1.882585      5.430897      4.533860
  H      -3.043543      5.993837      5.737461
  H      -4.259561      6.343682      3.811140
  H      -4.829056      4.720909      4.250905
  H      -2.982058      3.782312      2.704309
  H      -2.825545      5.430554      2.043226
  H      -4.036943      7.086522      1.379901
  H      -5.570933      8.622624      0.208275
  H      -9.355485      6.257304     -0.933369
  H     -10.083023      3.861522     -0.567907
  H      -8.540408      2.307390      0.632000
  H      -7.204578      1.311334      7.246506
  H      -6.796399      1.259607      5.520155
  H      -6.529871      3.730194      5.487173
  H      -7.040279      3.831931      7.181852
  H      -8.879252      4.352890      5.562634
  H      -9.295512      2.966143      6.617657
  H     -10.892973      4.195234      4.902754
  H     -12.757743      4.217031      3.293641
  H     -12.004805      0.905706      0.196423
  H     -10.187178     -0.825501     -0.102456
  H      -8.331035     -0.922775      1.577579
  N      -4.740274      2.120874      4.018931
  N      -5.460777      1.790577      3.069322
  H      -5.831173      2.565973      2.482110
101
Coordinates from ORCA-job orca E -6484.318588930420
  N      -2.713230      0.464438      5.020743
  Mo     -3.714865      2.119335      5.501174
  N      -5.201074      1.784267      6.766791
  C      -4.877563      1.674482      8.186298
  C      -3.482424      1.078282      8.338043
  N      -2.545975      1.757972      7.410835
  C      -1.386522      0.919597      7.030627
  C      -1.811184     -0.121221      6.009104
  C      -2.131393      3.091331      7.899564
  C      -1.768310      3.981762      6.721360
  N      -2.804287      3.917503      5.686037
  H      -0.900264     -0.529397      5.530364
  H      -2.300798     -0.984877      6.507502
  H      -0.642530      1.589475      6.577369
  H      -0.928026      0.451089      7.920900
  H      -1.671112      5.016048      7.102889
  H      -0.769755      3.716324      6.317238
  H      -2.991802      3.531365      8.422248
  H      -1.297505      3.003626      8.620941
  H      -5.596278      1.010308      8.701217
  H      -4.937865      2.653850      8.706125
  H      -3.517699      0.019982      8.044711
  H      -3.117342      1.140588      9.379658
  C      -2.975788     -0.471792      3.928588
  C      -1.916974     -0.408457      2.811675
  C      -2.241554      0.625195      1.749244
  O      -3.334257      0.056252      0.978216
  C      -4.114862      0.761128      0.140713
  C      -5.317261      0.153951     -0.209557
  C      -6.186056      0.774833     -1.116536
  N      -5.965825      1.948928     -1.695749
  C      -4.799834      2.568656     -1.363886
  C      -4.520885      3.831562     -1.943162
  C      -3.336508      4.469572     -1.654446
  C      -2.420099      3.834286     -0.786260
  N      -2.637728      2.665302     -0.207114
  C      -3.813745      2.028308     -0.463916
  C      -2.872338      5.199242      4.988120
  C      -3.948749      5.296129      3.917028
  C      -3.496642      4.739947      2.574922
  O      -4.630930      4.407278      1.752560
  C      -5.368045      5.381781      1.201327
  C      -4.993803      6.704696      1.020060
  C      -5.878150      7.574736      0.346592
  N      -7.067942      7.244782     -0.133578
  C      -7.461246      5.949514      0.062462
  C      -8.728919      5.523708     -0.406078
  C      -9.120869      4.219177     -0.198818
  C      -8.250120      3.341786      0.486541
  N      -7.063338      3.696486      0.952557
  C      -6.661006      4.975478      0.734310
  C      -6.624796      1.817444      6.448343
  C      -7.154935      3.244528      6.245492
  C      -8.611970      3.312416      5.825388
  O      -8.772884      2.445929      4.682528
  C      -9.878770      2.537655      3.934161
  C     -10.901060      3.463635      4.091264
  C     -11.964906      3.473767      3.163234
  N     -12.091720      2.657798      2.128412
  C     -11.110078      1.717154      1.979287
  C     -11.177356      0.812909      0.891396
  C     -10.188729     -0.135206      0.736569
  C      -9.140039     -0.189704      1.683908
  N      -9.032329      0.636444      2.713280
  C      -9.988812      1.589410      2.858378
  H      -3.017696     -1.498990      4.338607
  H      -3.963335     -0.265403      3.493341
  H      -0.932952     -0.168778      3.245838
  H      -1.816200     -1.388827      2.318037
  H      -1.392748      0.823996      1.082944
  H      -2.567572      1.575346      2.194699
  H      -5.575234     -0.803273      0.243979
  H      -7.128114      0.277980     -1.372747
  H      -5.270440      4.264525     -2.607852
  H      -3.097827      5.444827     -2.081312
  H      -1.463524      4.316412     -0.557663
  H      -1.884083      5.440742      4.537647
  H      -3.051902      5.995384      5.738537
  H      -4.257235      6.346116      3.806114
  H      -4.829273      4.724435      4.246879
  H      -2.978362      3.782628      2.706009
  H      -2.821989      5.429496      2.041107
  H      -4.031271      7.081309      1.363779
  H      -5.569146      8.614523      0.193897
  H      -9.361320      6.248947     -0.921038
  H     -10.089525      3.855122     -0.543692
  H      -8.541558      2.303063      0.652920
  H      -7.202886      1.314035      7.246885
  H      -6.795227      1.254545      5.520506
  H      -6.534725      3.723214      5.471901
  H      -7.036945      3.835700      7.168312
  H      -8.883969      4.345381      5.555123
  H      -9.294395      2.965338      6.620950
  H     -10.895238      4.191562      4.900542
  H     -12.757608      4.219110      3.288977
  H     -12.017239      0.898335      0.199639
  H     -10.207054     -0.841193     -0.095185
  H      -8.352221     -0.943391      1.585998
  N      -4.742121      2.122600      4.017766
  N      -5.466875      1.789762      3.072506
  H      -5.835710      2.562852      2.480744
101
Coordinates from ORCA-job orca E -6484.318590694084
  N      -2.716772      0.465285      5.019593
  Mo     -3.713865      2.123065      5.499937
  N      -5.201133      1.790215      6.764602
  C      -4.878499      1.679599      8.184284
  C      -3.484461      1.080849      8.336626
  N      -2.546391      1.758734      7.409694
  C      -1.388745      0.917948      7.029141
  C      -1.815802     -0.122107      6.007891
  C      -2.128885      3.090990      7.898932
  C      -1.763163      3.980765      6.720973
  N      -2.798970      3.919101      5.685228
  H      -0.905806     -0.532299      5.529158
  H      -2.307164     -0.984619      6.506578
  H      -0.643643      1.586339      6.575521
  H      -0.930770      0.448596      7.919250
  H      -1.663590      5.014772      7.102746
  H      -0.765058      3.712996      6.317183
  H      -2.988644      3.532992      8.421124
  H      -1.295634      3.001146      8.620789
  H      -5.598557      1.016559      8.698740
  H      -4.937342      2.658974      8.704201
  H      -3.521596      0.022589      8.043424
  H      -3.119616      1.142608      9.378349
  C      -2.982637     -0.471019      3.928499
  C      -1.924889     -0.411152      2.810533
  C      -2.247369      0.623651      1.748627
  O      -3.343132      0.058211      0.979238
  C      -4.122114      0.764664      0.141518
  C      -5.325684      0.159730     -0.208911
  C      -6.192960      0.781754     -1.116425
  N      -5.970414      1.955132     -1.696202
  C      -4.803368      2.572803     -1.364279
  C      -4.521590      3.834587     -1.944617
  C      -3.336190      4.470680     -1.655638
  C      -2.421501      3.834438     -0.786352
  N      -2.641484      2.666209     -0.206618
  C      -3.818582      2.031157     -0.463500
  C      -2.866499      5.202512      4.990412
  C      -3.940847      5.301117      3.917590
  C      -3.488036      4.743524      2.576409
  O      -4.622220      4.409359      1.754725
  C      -5.362089      5.383131      1.206098
  C      -4.990072      6.706629      1.025097
  C      -5.876408      7.575534      0.352768
  N      -7.066102      7.243859     -0.126650
  C      -7.457572      5.948064      0.070019
  C      -8.724990      5.520337     -0.397420
  C      -9.115274      4.215470     -0.188801
  C      -8.243014      3.339679      0.496694
  N      -7.056256      3.696120      0.961374
  C      -6.655495      4.975375      0.741580
  C      -6.624591      1.822347      6.444858
  C      -7.154799      3.248516      6.236475
  C      -8.612376      3.314142      5.818172
  O      -8.775560      2.441090      4.680620
  C      -9.880829      2.531427      3.931300
  C     -10.903541      3.457430      4.085903
  C     -11.967491      3.464642      3.158052
  N     -12.093840      2.646060      2.125206
  C     -11.111009      1.706468      1.977674
  C     -11.176758      0.800860      0.890823
  C     -10.186808     -0.146106      0.737270
  C      -9.138289     -0.198064      1.684953
  N      -9.032058      0.629358      2.713480
  C      -9.989845      1.581244      2.857203
  H      -3.026510     -1.497774      4.339449
  H      -3.970134     -0.262657      3.494109
  H      -0.939482     -0.175029      3.243606
  H      -1.828107     -1.391770      2.316576
  H      -1.398836      0.819329      1.081147
  H      -2.569295      1.574968      2.194517
  H      -5.585651     -0.796765      0.244938
  H      -7.135852      0.286650     -1.372643
  H      -5.269692      4.268129     -2.610464
  H      -3.095400      5.445100     -2.083215
  H      -1.464157      4.314899     -0.557669
  H      -1.877566      5.446003      4.542613
  H      -3.048479      5.996693      5.742354
  H      -4.247137      6.351730      3.805852
  H      -4.822983      4.731233      4.246412
  H      -2.969419      3.786543      2.708574
  H      -2.813754      5.432799      2.041848
  H      -4.027587      7.084349      1.367950
  H      -5.569117      8.615862      0.199982
  H      -9.358450      6.244294     -0.912770
  H     -10.083809      3.850099     -0.532576
  H      -8.532859      2.300670      0.663789
  H      -7.203212      1.321601      7.244633
  H      -6.794459      1.256248      5.518877
  H      -6.535369      3.724086      5.460271
  H      -7.036126      3.843430      7.156790
  H      -8.884748      4.345609      5.542771
  H      -9.293345      2.971560      6.616973
  H     -10.898457      4.187043      4.893603
  H     -12.760655      4.209704      3.282237
  H     -12.016705      0.884205      0.198930
  H     -10.203991     -0.853255     -0.093435
  H      -8.349633     -0.950995      1.588136
  N      -4.741114      2.128957      4.016363
  N      -5.468011      1.798239      3.072004
  H      -5.834393      2.572352      2.479637
101
Coordinates from ORCA-job orca E -6484.318592665674
  N      -2.716060      0.465679      5.020265
  Mo     -3.714297      2.122670      5.500935
  N      -5.201030      1.789148      6.766122
  C      -4.877850      1.677945      8.185656
  C      -3.483261      1.080404      8.337400
  N      -2.546033      1.759159      7.410320
  C      -1.387827      0.919313      7.029422
  C      -1.814326     -0.121031      6.008232
  C      -2.129556      3.091784      7.899355
  C      -1.764259      3.981389      6.721172
  N      -2.799994      3.919036      5.685287
  H      -0.904087     -0.530304      5.529166
  H      -2.304733     -0.984036      6.506973
  H      -0.643361      1.588271      6.575625
  H      -0.929259      0.450259      7.919383
  H      -1.665013      5.015510      7.102611
  H      -0.766060      3.713835      6.317545
  H      -2.989811      3.533247      8.421191
  H      -1.296408      3.002735      8.621445
  H      -5.597058      1.013827      8.699909
  H      -4.937609      2.656938      8.706212
  H      -3.519603      0.022172      8.043973
  H      -3.118168      1.142243      9.379035
  C      -2.981591     -0.470654      3.929108
  C      -1.924334     -0.409981      2.810734
  C      -2.247382      0.624963      1.749057
  O      -3.343927      0.059962      0.980611
  C      -4.122381      0.766354      0.142460
  C      -5.326307      0.162058     -0.207529
  C      -6.193725      0.784720     -1.114501
  N      -5.970813      1.957945     -1.694414
  C      -4.803096      2.574756     -1.363257
  C      -4.520732      3.836301     -1.943803
  C      -3.334700      4.471550     -1.655683
  C      -2.419938      3.834675     -0.786971
  N      -2.640535      2.666736     -0.206868
  C      -3.818240      2.032531     -0.462957
  C      -2.867348      5.202193      4.989870
  C      -3.941486      5.300642      3.916848
  C      -3.489089      4.741134      2.576365
  O      -4.623532      4.408312      1.754425
  C      -5.360985      5.382471      1.203287
  C      -4.986209      6.704804      1.019343
  C      -5.870675      7.573881      0.344802
  N      -7.060986      7.243510     -0.133971
  C      -7.455246      5.949081      0.065852
  C      -8.723735      5.522966     -0.400180
  C      -9.116938      4.219505     -0.188027
  C      -8.246544      3.343613      0.499762
  N      -7.058940      3.698673      0.963297
  C      -6.655261      4.976362      0.739760
  C      -6.624771      1.820328      6.447260
  C      -7.155331      3.245951      6.236259
  C      -8.613098      3.310845      5.818520
  O      -8.777097      2.436555      4.682145
  C      -9.882387      2.527581      3.932971
  C     -10.904723      3.453915      4.088267
  C     -11.968646      3.462411      3.160394
  N     -12.095152      2.644996      2.126647
  C     -11.112550      1.705289      1.978231
  C     -11.177925      0.801643      0.889752
  C     -10.187860     -0.145001      0.734882
  C      -9.139849     -0.198812      1.683092
  N      -9.033954      0.626787      2.713081
  C      -9.991630      1.578557      2.857921
  H      -3.024269     -1.497534      4.339954
  H      -3.969459     -0.263141      3.495187
  H      -0.938767     -0.173860      3.243444
  H      -1.827639     -1.390508      2.316598
  H      -1.399301      0.820240      1.080820
  H      -2.568580      1.576528      2.194928
  H      -5.586781     -0.794219      0.246537
  H      -7.137174      0.290302     -1.369958
  H      -5.268839      4.270324     -2.609422
  H      -3.093429      5.445645     -2.083703
  H      -1.461932      4.314283     -0.559113
  H      -1.878361      5.445258      4.541942
  H      -3.049197      5.996777      5.741444
  H      -4.246664      6.351464      3.803784
  H      -4.824349      4.732299      4.246363
  H      -2.972200      3.783314      2.709247
  H      -2.813528      5.428865      2.041479
  H      -4.023032      7.081274      1.361636
  H      -5.561336      8.613230      0.189720
  H      -9.355827      6.246982     -0.917170
  H     -10.086443      3.855469     -0.530509
  H      -8.538857      2.305808      0.670107
  H      -7.202711      1.321320      7.248580
  H      -6.795365      1.252222      5.522604
  H      -6.536267      3.720153      5.459023
  H      -7.036468      3.842656      7.155394
  H      -8.885545      4.341984      5.541931
  H      -9.293630      2.969316      6.618155
  H     -10.899297      4.182998      4.896477
  H     -12.761489      4.207730      3.285208
  H     -12.017509      0.886319      0.197562
  H     -10.204431     -0.850468     -0.097300
  H      -8.351140     -0.951584      1.585270
  N      -4.741936      2.128145      4.017742
  N      -5.468674      1.797866      3.073032
  H      -5.837444      2.572441      2.482816
101
Coordinates from ORCA-job orca E -6484.318593362113
  N      -2.715626      0.464374      5.021092
  Mo     -3.714110      2.121554      5.500752
  N      -5.200417      1.789116      6.766694
  C      -4.876653      1.678482      8.186169
  C      -3.481885      1.081373      8.337895
  N      -2.545029      1.759569      7.410076
  C      -1.386911      0.919510      7.029446
  C      -1.813729     -0.121630      6.009232
  C      -2.128465      3.092613      7.897873
  C      -1.763659      3.981183      6.718725
  N      -2.799998      3.918065      5.683357
  H      -0.903574     -0.531227      5.530255
  H      -2.303983     -0.984257      6.508766
  H      -0.642646      1.588131      6.574849
  H      -0.928012      0.451195      7.919627
  H      -1.663997      5.015584      7.099168
  H      -0.765803      3.713005      6.314743
  H      -2.988644      3.534465      8.419526
  H      -1.295138      3.004240      8.619860
  H      -5.595486      1.014374      8.700933
  H      -4.936565      2.657674      8.706304
  H      -3.518071      0.022904      8.045325
  H      -3.116583      1.144097      9.379406
  C      -2.981164     -0.472453      3.930319
  C      -1.923859     -0.412210      2.811945
  C      -2.246158      0.622851      1.750183
  O      -3.343217      0.058704      0.981929
  C      -4.120360      0.765292      0.142813
  C      -5.324002      0.161321     -0.208774
  C      -6.190448      0.784598     -1.116185
  N      -5.966832      1.958091     -1.695293
  C      -4.799294      2.574492     -1.362844
  C      -4.516148      3.836272     -1.942494
  C      -3.330429      4.471307     -1.652728
  C      -2.416776      3.834038     -0.783130
  N      -2.638101      2.665820     -0.203841
  C      -3.815436      2.031707     -0.461750
  C      -2.869751      5.201562      4.988842
  C      -3.944389      5.298801      3.916190
  C      -3.491821      4.740734      2.575177
  O      -4.626184      4.408513      1.752797
  C      -5.363513      5.383073      1.202195
  C      -4.988509      6.705469      1.018868
  C      -5.872959      7.575020      0.344928
  N      -7.063364      7.245113     -0.133860
  C      -7.457800      5.950643      0.065119
  C      -8.726402      5.525004     -0.401079
  C      -9.119631      4.221372     -0.190103
  C      -8.249206      3.344863      0.496813
  N      -7.061579      3.699512      0.960641
  C      -6.657861      4.977374      0.738241
  C      -6.624386      1.820457      6.448573
  C      -7.154121      3.245979      6.235077
  C      -8.611971      3.311241      5.817644
  O      -8.776875      2.436209      4.682029
  C      -9.882803      2.527310      3.933715
  C     -10.905676      3.452711      4.090952
  C     -11.970592      3.461271      3.164219
  N     -12.097494      2.644820      2.129760
  C     -11.114287      1.706047      1.979400
  C     -11.180031      0.803459      0.890063
  C     -10.189429     -0.142305      0.733341
  C      -9.140478     -0.196333      1.680539
  N      -9.034163      0.628312      2.711202
  C      -9.992404      1.579274      2.857876
  H      -3.023604     -1.499187      4.341569
  H      -3.969084     -0.265309      3.496380
  H      -0.938181     -0.176809      3.244773
  H      -1.827881     -1.392822      2.317822
  H      -1.397934      0.817196      1.081817
  H      -2.566415      1.574849      2.195823
  H      -5.585119     -0.795133      0.244536
  H      -7.133743      0.290424     -1.372686
  H      -5.263466      4.270701     -2.608739
  H      -3.088681      5.445640     -2.079953
  H      -1.459166      4.313611     -0.553590
  H      -1.881339      5.446444      4.540592
  H      -3.052604      5.995414      5.740957
  H      -4.251052      6.349243      3.803757
  H      -4.826410      4.729198      4.245783
  H      -2.974558      3.782948      2.706863
  H      -2.816577      5.429362      2.040985
  H      -4.025217      7.081470      1.361290
  H      -5.563512      8.614416      0.190349
  H      -9.358604      6.249454     -0.917333
  H     -10.089165      3.857675     -0.532888
  H      -8.541533      2.306971      0.666410
  H      -7.202168      1.323551      7.251292
  H      -6.796027      1.250489      5.525214
  H      -6.534901      3.718576      5.457016
  H      -7.034857      3.844153      7.153228
  H      -8.883814      4.342289      5.540089
  H      -9.292405      2.970999      6.617910
  H     -10.899936      4.181093      4.899796
  H     -12.764016      4.205671      3.290748
  H     -12.020300      0.888210      0.198711
  H     -10.206125     -0.846899     -0.099576
  H      -8.351307     -0.948426      1.581214
  N      -4.741731      2.126380      4.017687
  N      -5.468620      1.796800      3.072848
  H      -5.838240      2.571832      2.483812
101
Coordinates from ORCA-job orca E -6484.318593844167
  N      -2.716568      0.464196      5.020894
  Mo     -3.714590      2.121550      5.501027
  N      -5.200529      1.789528      6.767461
  C      -4.876335      1.678137      8.186788
  C      -3.481589      1.080845      8.337912
  N      -2.544943      1.759060      7.409947
  C      -1.387079      0.918866      7.028815
  C      -1.814418     -0.122093      6.008609
  C      -2.128140      3.092021      7.897685
  C      -1.763255      3.980468      6.718478
  N      -2.799769      3.917722      5.683180
  H      -0.904459     -0.531729      5.529268
  H      -2.304579     -0.984741      6.508211
  H      -0.642856      1.587397      6.574031
  H      -0.927945      0.450376      7.918787
  H      -1.663160      5.014815      7.098897
  H      -0.765587      3.711915      6.314310
  H      -2.988287      3.534011      8.419272
  H      -1.294848      3.003588      8.619709
  H      -5.595021      1.013801      8.701438
  H      -4.936072      2.657083      8.707404
  H      -3.517975      0.022433      8.045180
  H      -3.116000      1.143344      9.379338
  C      -2.982726     -0.472350      3.929999
  C      -1.925734     -0.412330      2.811310
  C      -2.247631      0.623138      1.749857
  O      -3.345623      0.060161      0.982140
  C      -4.121795      0.767229      0.142542
  C      -5.325735      0.164075     -0.209549
  C      -6.191400      0.787875     -1.117306
  N      -5.966765      1.961162     -1.696409
  C      -4.798970      2.576802     -1.363524
  C      -4.514821      3.838417     -1.943039
  C      -3.328889      4.472797     -1.652738
  C      -2.415989      3.834999     -0.782734
  N      -2.638206      2.666858     -0.203594
  C      -3.815786      2.033408     -0.462006
  C      -2.870031      5.201831      4.989795
  C      -3.944138      5.299402      3.916687
  C      -3.490858      4.741852      2.575741
  O      -4.624825      4.409227      1.752963
  C      -5.362923      5.383231      1.202440
  C      -4.988917      6.705823      1.018499
  C      -5.874151      7.574367      0.344270
  N      -7.064357      7.243325     -0.134231
  C      -7.457888      5.948708      0.065579
  C      -8.726239      5.521832     -0.400193
  C      -9.118540      4.218089     -0.188166
  C      -8.247506      3.342745      0.499470
  N      -7.060024      3.698524      0.962787
  C      -6.657165      4.976444      0.739194
  C      -6.624648      1.821185      6.449800
  C      -7.153255      3.246674      6.233387
  C      -8.611137      3.312424      5.816087
  O      -8.777048      2.435382      4.682205
  C      -9.882428      2.526961      3.933129
  C     -10.904399      3.453629      4.088789
  C     -11.968724      3.462360      3.161378
  N     -12.095819      2.645009      2.127635
  C     -11.113523      1.705030      1.978855
  C     -11.179421      0.801481      0.890299
  C     -10.189642     -0.145398      0.735124
  C      -9.141420     -0.199627      1.683139
  N      -9.035025      0.625820      2.713133
  C      -9.992380      1.577935      2.858220
  H      -3.025243     -1.499148      4.341057
  H      -3.970751     -0.264904      3.496437
  H      -0.939827     -0.177630      3.243951
  H      -1.830476     -1.392881      2.316935
  H      -1.399525      0.816668      1.081092
  H      -2.566682      1.575451      2.195692
  H      -5.587719     -0.792169      0.243698
  H      -7.134930      0.294312     -1.374091
  H      -5.261582      4.273317     -2.609568
  H      -3.086439      5.447014     -2.079841
  H      -1.458252      4.314047     -0.552673
  H      -1.881584      5.447727      4.542175
  H      -3.053741      5.994882      5.742543
  H      -4.250756      6.349881      3.804357
  H      -4.826330      4.729771      4.245739
  H      -2.973193      3.784287      2.707259
  H      -2.815798      5.430974      2.041975
  H      -4.025796      7.082594      1.360529
  H      -5.565498      8.613901      0.189034
  H      -9.359067      6.245419     -0.916920
  H     -10.087814      3.853439     -0.530678
  H      -8.539146      2.304821      0.670033
  H      -7.202557      1.326524      7.253800
  H      -6.797157      1.249318      5.527743
  H      -6.533753      3.717132      5.454276
  H      -7.033365      3.846643      7.150314
  H      -8.882052      4.343158      5.536472
  H      -9.291700      2.974503      6.617214
  H     -10.898355      4.182902      4.896832
  H     -12.761498      4.207652      3.286724
  H     -12.019091      0.886458      0.198248
  H     -10.206384     -0.850733     -0.097174
  H      -8.352978     -0.952659      1.585120
  N      -4.742840      2.126804      4.018471
  N      -5.470726      1.798151      3.074115
  H      -5.840065      2.573481      2.485391
