95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.018413313349
  N      -3.305056     -3.612263      2.253863
  C      -2.886477     -4.555800      1.229242
  C      -2.604955     -5.975486      1.795654
  N      -3.628922     -6.355175      2.776676
  C      -4.875708     -6.797346      2.131206
  C      -6.089324     -6.511155      3.031493
  N      -5.969033     -5.169224      3.585895
  Mo     -4.097655     -4.549419      3.874003
  N      -3.151985     -5.488029      5.442202
  C      -2.398746     -6.611457      4.947057
  C      -3.139181     -7.314394      3.777023
  H      -2.213179     -7.377303      5.726110
  H      -1.385054     -6.306837      4.587612
  H      -4.009835     -7.821085      4.204147
  H      -2.481572     -8.071523      3.332317
  H      -6.997944     -6.627042      2.425199
  H      -6.140298     -7.268459      3.839569
  H      -4.994403     -6.195029      1.229656
  H      -4.839295     -7.858565      1.859320
  H      -1.997757     -4.217809      0.687656
  H      -3.699561     -4.623421      0.493700
  H      -1.639521     -5.963543      2.315861
  H      -2.544029     -6.702106      0.975484
  C      -0.343870     -3.593797      3.824009
  N      -1.715624     -3.140572      3.980322
  C      -2.398050     -2.609472      2.734634
  C      -1.449042     -1.940199      1.721283
  C      -2.177426     -1.293878      0.564679
  C      -3.305584     -0.504661      0.762756
  C      -3.918819      0.129332     -0.306128
  C      -3.408390     -0.009367     -1.586601
  C      -2.287484     -0.794614     -1.795008
  C      -1.679999     -1.433126     -0.726573
  C      -6.642606     -6.196126      6.672361
  N      -6.233078     -5.009270      5.942800
  C      -6.892562     -4.771485      4.618737
  C      -8.324570     -5.309799      4.466801
  C      -9.371824     -4.665775      5.351387
  C     -10.679609     -5.138649      5.251823
  C     -11.695102     -4.592738      6.014921
  C     -11.419797     -3.559868      6.897448
  C     -10.125280     -3.084475      7.007912
  C      -9.105913     -3.631807      6.239520
  C      -3.904956     -4.589882      8.497890
  N      -3.631715     -3.965804      7.217760
  C      -2.562072     -4.542832      6.388848
  C      -1.337158     -5.015356      7.178364
  C      -0.665953     -3.916757      7.974318
  C      -0.009224     -4.245240      9.158014
  C       0.670590     -3.288750      9.892061
  C       0.702818     -1.975405      9.453259
  C       0.048958     -1.632498      8.282069
  C      -0.627979     -2.593971      7.544309
  H      -0.195774     -4.298194      2.991457
  H      -0.035117     -4.089822      4.748755
  H       0.325493     -2.744326      3.674473
  H      -2.325291     -3.975480      3.981945
  H      -3.022451     -1.794535      3.123533
  H      -0.710472     -2.649818      1.339577
  H      -0.900344     -1.171168      2.280358
  H      -3.707727     -0.382456      1.768181
  H      -4.789227      0.740259     -0.124622
  H      -3.880846      0.498412     -2.411500
  H      -1.876576     -0.906432     -2.785305
  H      -0.798232     -2.035316     -0.888799
  H      -6.029345     -6.266128      7.573835
  H      -7.683932     -6.114661      6.986865
  H      -6.521193     -7.134006      6.108695
  H      -5.298058     -5.178757      5.548977
  H      -6.965780     -3.671519      4.539253
  H      -8.601596     -5.133241      3.421717
  H      -8.336050     -6.391691      4.628148
  H     -10.890395     -5.941356      4.561807
  H     -12.699455     -4.972435      5.918727
  H     -12.204805     -3.127033      7.495551
  H      -9.887616     -2.282071      7.689937
  H      -8.090075     -3.249104      6.349053
  H      -3.135950     -4.336486      9.231810
  H      -3.974210     -5.690078      8.446324
  H      -4.859095     -4.204185      8.864044
  H      -4.405375     -4.223821      6.630716
  H      -2.254018     -3.706345      5.794827
  H      -0.601233     -5.418894      6.466556
  H      -1.592267     -5.842928      7.854012
  H      -0.032213     -5.271073      9.495872
  H       1.176794     -3.573478     10.800381
  H       1.233351     -1.223398     10.014013
  H       0.061489     -0.615139      7.922150
  H      -1.133329     -2.298784      6.621575
  N      -4.802249     -3.079205      5.244739
  H      -5.117866     -2.227987      4.781949
  H      -4.088961     -2.788271      5.911777
  H      -5.591045     -3.405228      5.801399
  N      -5.366230     -3.080725      2.996191
  N      -6.211947     -2.101596      2.410982
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.098361453857
  N      -3.315169     -3.583037      2.195437
  C      -2.866551     -4.543365      1.194998
  C      -2.565099     -5.942409      1.794474
  N      -3.595818     -6.326696      2.778569
  C      -4.834499     -6.810920      2.132782
  C      -6.061560     -6.541202      3.022597
  N      -5.979501     -5.182209      3.549424
  Mo     -4.112070     -4.506766      3.836779
  N      -3.158281     -5.418286      5.452160
  C      -2.381636     -6.537242      4.960842
  C      -3.095448     -7.258880      3.796386
  H      -2.199448     -7.303833      5.740657
  H      -1.368119     -6.219465      4.618834
  H      -3.962754     -7.776112      4.222439
  H      -2.420145     -8.010910      3.364228
  H      -6.964862     -6.693124      2.412395
  H      -6.097221     -7.286943      3.843820
  H      -4.961905     -6.228933      1.216090
  H      -4.769421     -7.878395      1.881480
  H      -1.976975     -4.200007      0.653485
  H      -3.671320     -4.644858      0.450462
  H      -1.604804     -5.902067      2.324952
  H      -2.481730     -6.686509      0.987942
  C      -0.366385     -3.462836      3.791853
  N      -1.753126     -3.035929      3.926550
  C      -2.437374     -2.551057      2.662781
  C      -1.494537     -1.888231      1.641777
  C      -2.223384     -1.287183      0.460698
  C      -3.373452     -0.513916      0.624182
  C      -3.989375      0.079192     -0.471469
  C      -3.460651     -0.084271     -1.746539
  C      -2.317782     -0.853788     -1.921368
  C      -1.707606     -1.451520     -0.825120
  C      -6.663755     -6.175863      6.661123
  N      -6.272435     -4.989719      5.911971
  C      -6.925261     -4.785574      4.574695
  C      -8.340504     -5.351669      4.444527
  C      -9.355426     -4.688980      5.350138
  C     -10.677207     -5.141967      5.303190
  C     -11.657451     -4.566067      6.098039
  C     -11.330670     -3.524332      6.960451
  C     -10.020080     -3.070628      7.020200
  C      -9.036112     -3.646974      6.220121
  C      -3.913892     -4.633649      8.576617
  N      -3.620254     -3.959992      7.323453
  C      -2.558783     -4.509024      6.448810
  C      -1.350233     -5.039291      7.224713
  C      -0.664206     -3.992073      8.076642
  C      -0.022950     -4.387961      9.252985
  C       0.670596     -3.476174     10.037931
  C       0.732478     -2.140732      9.658537
  C       0.094083     -1.731519      8.494818
  C      -0.596265     -2.648059      7.706858
  H      -0.191667     -4.185318      2.977206
  H      -0.051584     -3.928857      4.732226
  H       0.282953     -2.598322      3.626052
  H      -2.340071     -3.883852      3.944892
  H      -3.085156     -1.740038      3.028189
  H      -0.736209     -2.592827      1.283807
  H      -0.965802     -1.093037      2.186574
  H      -3.791183     -0.372158      1.621002
  H      -4.878201      0.678621     -0.316498
  H      -3.936334      0.392089     -2.594299
  H      -1.892116     -0.985061     -2.908304
  H      -0.808495     -2.042359     -0.961997
  H      -6.057939     -6.218368      7.571778
  H      -7.712106     -6.110276      6.964365
  H      -6.517246     -7.122250      6.114970
  H      -5.325608     -5.142082      5.528099
  H      -7.026955     -3.690259      4.475472
  H      -8.633620     -5.196467      3.398377
  H      -8.348138     -6.433165      4.624028
  H     -10.928726     -5.952259      4.628403
  H     -12.675929     -4.929539      6.042857
  H     -12.089511     -3.068923      7.583689
  H      -9.743839     -2.263334      7.688463
  H      -8.004230     -3.285448      6.293773
  H      -3.142215     -4.431405      9.326779
  H      -4.013851     -5.729994      8.479654
  H      -4.867406     -4.232212      8.945373
  H      -4.408200     -4.177620      6.738417
  H      -2.225334     -3.646806      5.892737
  H      -0.615879     -5.424209      6.500201
  H      -1.627859     -5.892986      7.859482
  H      -0.068859     -5.431439      9.545690
  H       1.164826     -3.812656     10.940746
  H       1.274459     -1.422566     10.260449
  H       0.130140     -0.694923      8.181241
  H      -1.087186     -2.301975      6.794451
  N      -4.847584     -2.968649      5.165599
  H      -5.166677     -2.139404      4.663629
  H      -4.143643     -2.637148      5.830740
  H      -5.641878     -3.275630      5.735873
  N      -5.395020     -3.076812      2.903106
  N      -6.183818     -2.195933      2.337167
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.157088928351
  N      -3.311536     -3.563910      2.167431
  C      -2.854988     -4.535044      1.175551
  C      -2.552217     -5.925450      1.787953
  N      -3.587588     -6.311409      2.778630
  C      -4.827553     -6.812527      2.135950
  C      -6.056271     -6.553118      3.025941
  N      -5.989034     -5.187076      3.541120
  Mo     -4.113766     -4.485161      3.824966
  N      -3.158044     -5.387688      5.454349
  C      -2.372736     -6.511161      4.965495
  C      -3.081384     -7.236547      3.805862
  H      -2.192809     -7.279126      5.745252
  H      -1.359974     -6.191566      4.628906
  H      -3.949290     -7.755455      4.232851
  H      -2.402288     -7.989479      3.376034
  H      -6.959344     -6.720580      2.415810
  H      -6.082789     -7.296127      3.851229
  H      -4.960481     -6.238573      1.212394
  H      -4.750821     -7.883221      1.892266
  H      -1.963247     -4.193768      0.632238
  H      -3.657665     -4.648314      0.427076
  H      -1.593403     -5.877511      2.322247
  H      -2.463508     -6.678260      0.986462
  C      -0.364020     -3.404952      3.774669
  N      -1.758189     -2.987294      3.902979
  C      -2.445565     -2.521575      2.631672
  C      -1.506553     -1.863934      1.606035
  C      -2.234588     -1.281848      0.414963
  C      -3.393755     -0.511860      0.562617
  C      -4.010686      0.063929     -0.545997
  C      -3.474729     -0.113196     -1.820624
  C      -2.322791     -0.879399     -1.980592
  C      -1.711736     -1.459712     -0.870324
  C      -6.674436     -6.168210      6.669943
  N      -6.291027     -4.980902      5.911669
  C      -6.943774     -4.790697      4.566076
  C      -8.351100     -5.369466      4.443970
  C      -9.363083     -4.705175      5.354485
  C     -10.689031     -5.158200      5.319415
  C     -11.666197     -4.577962      6.121976
  C     -11.332221     -3.531313      6.981811
  C     -10.017276     -3.077574      7.031425
  C      -9.036661     -3.657722      6.223795
  C      -3.921428     -4.637346      8.596524
  N      -3.614979     -3.942448      7.353732
  C      -2.552256     -4.491724      6.468587
  C      -1.356142     -5.049614      7.242684
  C      -0.658510     -4.026681      8.115350
  C      -0.028916     -4.451153      9.292137
  C       0.675762     -3.559520     10.097152
  C       0.760814     -2.215729      9.737757
  C       0.133980     -1.778400      8.573251
  C      -0.567103     -2.674749      7.766149
  H      -0.177926     -4.135844      2.967328
  H      -0.044879     -3.858310      4.721730
  H       0.276122     -2.533076      3.600276
  H      -2.333149     -3.839066      3.929962
  H      -3.102903     -1.711252      2.989235
  H      -0.741079     -2.568110      1.256917
  H      -0.983329     -1.058015      2.143221
  H      -3.818210     -0.359104      1.555279
  H      -4.907412      0.661132     -0.403178
  H      -3.951731      0.349615     -2.680012
  H      -1.891113     -1.021715     -2.967659
  H      -0.805472     -2.048715     -0.996434
  H      -6.071825     -6.200074      7.585106
  H      -7.726532     -6.108614      6.968743
  H      -6.517897     -7.118720      6.131151
  H      -5.336458     -5.127513      5.532023
  H      -7.058764     -3.698055      4.457586
  H      -8.647950     -5.223466      3.395664
  H      -8.355853     -6.451870      4.629997
  H     -10.948072     -5.972917      4.646639
  H     -12.688936     -4.942148      6.075090
  H     -12.089604     -3.072940      7.611371
  H      -9.736613     -2.266893      7.699313
  H      -8.003552     -3.297779      6.293229
  H      -3.147293     -4.460629      9.353199
  H      -4.040655     -5.731642      8.481896
  H      -4.872438     -4.223871      8.965877
  H      -4.416282     -4.136829      6.768678
  H      -2.200218     -3.619363      5.923779
  H      -0.623055     -5.434250      6.516174
  H      -1.650915     -5.909446      7.862718
  H      -0.092548     -5.501344      9.570563
  H       1.160881     -3.917969     11.001046
  H       1.311913     -1.513088     10.356438
  H       0.188533     -0.734182      8.275840
  H      -1.047275     -2.307972      6.856647
  N      -4.856615     -2.902875      5.151822
  H      -5.176027     -2.079930      4.638758
  H      -4.152460     -2.557120      5.815203
  H      -5.653114     -3.201682      5.731833
  N      -5.403319     -3.064293      2.862515
  N      -6.109072     -2.282384      2.349987
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.177952906174
  N      -3.298128     -3.532848      2.128946
  C      -2.837921     -4.525178      1.154054
  C      -2.542335     -5.901887      1.785773
  N      -3.582710     -6.278466      2.785953
  C      -4.826174     -6.798844      2.154951
  C      -6.048478     -6.551358      3.051946
  N      -5.997518     -5.175964      3.547182
  Mo     -4.111862     -4.440661      3.816563
  N      -3.154280     -5.331493      5.451624
  C      -2.361179     -6.462342      4.972302
  C      -3.070015     -7.195347      3.826234
  H      -2.184148     -7.227176      5.756688
  H      -1.349449     -6.145685      4.637086
  H      -3.939494     -7.711610      4.257022
  H      -2.392553     -7.953969      3.398382
  H      -6.953616     -6.740807      2.446891
  H      -6.058593     -7.290371      3.882288
  H      -4.968740     -6.238611      1.221999
  H      -4.735885     -7.873362      1.922514
  H      -1.942519     -4.195600      0.605323
  H      -3.638255     -4.653386      0.401809
  H      -1.585609     -5.849855      2.324915
  H      -2.452398     -6.670278      0.995368
  C      -0.346477     -3.312390      3.743229
  N      -1.747726     -2.903930      3.864539
  C      -2.444432     -2.472205      2.582112
  C      -1.510461     -1.830563      1.544207
  C      -2.237690     -1.281754      0.337939
  C      -3.403841     -0.513725      0.461459
  C      -4.023574      0.029002     -0.664454
  C      -3.484798     -0.179627     -1.935727
  C      -2.326005     -0.943818     -2.072792
  C      -1.712257     -1.490307     -0.943986
  C      -6.692765     -6.137798      6.698901
  N      -6.314868     -4.952382      5.929568
  C      -6.959681     -4.780561      4.571766
  C      -8.358877     -5.375312      4.454640
  C      -9.380670     -4.726513      5.369896
  C     -10.706432     -5.185753      5.324556
  C     -11.693073     -4.621151      6.130693
  C     -11.369579     -3.583785      7.008357
  C     -10.054772     -3.125433      7.072323
  C      -9.065343     -3.689278      6.260646
  C      -3.909788     -4.676666      8.608067
  N      -3.606988     -3.928380      7.390029
  C      -2.543458     -4.458171      6.486130
  C      -1.363020     -5.055360      7.252388
  C      -0.652563     -4.073558      8.161507
  C      -0.041803     -4.545559      9.332335
  C       0.673745     -3.691048     10.171252
  C       0.789299     -2.336973      9.852928
  C       0.181591     -1.852467      8.694153
  C      -0.530325     -2.711693      7.854101
  H      -0.149244     -4.059073      2.950198
  H      -0.020610     -3.742980      4.700512
  H       0.282169     -2.434049      3.550012
  H      -2.307721     -3.762473      3.909828
  H      -3.112346     -1.660284      2.926702
  H      -0.738622     -2.537855      1.210694
  H      -0.990035     -1.008448      2.062304
  H      -3.832883     -0.336507      1.448481
  H      -4.927395      0.625265     -0.540555
  H      -3.965002      0.256343     -2.811165
  H      -1.891891     -1.111661     -3.058252
  H      -0.800814     -2.080076     -1.053920
  H      -6.098418     -6.155610      7.621409
  H      -7.749902     -6.083190      6.987756
  H      -6.523885     -7.094209      6.171861
  H      -5.353195     -5.094500      5.562964
  H      -7.091434     -3.690512      4.453747
  H      -8.658078     -5.233036      3.404530
  H      -8.355905     -6.459557      4.640250
  H     -10.960641     -5.994600      4.637806
  H     -12.716576     -4.991059      6.073222
  H     -12.135619     -3.138302      7.642161
  H      -9.783047     -2.323478      7.758828
  H      -8.034324     -3.332144      6.351398
  H      -3.129650     -4.534410      9.368129
  H      -4.039119     -5.766214      8.452414
  H      -4.859141     -4.271702      8.994207
  H      -4.427731     -4.087445      6.810940
  H      -2.170997     -3.569540      5.965016
  H      -0.630979     -5.431927      6.520273
  H      -1.679240     -5.928109      7.844595
  H      -0.129200     -5.604508      9.581342
  H       1.143637     -4.086129     11.071699
  H       1.349208     -1.662944     10.500375
  H       0.260635     -0.797891      8.430021
  H      -0.995054     -2.309486      6.952271
  N      -4.850739     -2.789652      5.139269
  H      -5.169901     -1.972580      4.616803
  H      -4.142024     -2.428771      5.793228
  H      -5.645804     -3.076466      5.733939
  N      -5.421678     -3.025981      2.801702
  N      -6.078337     -2.309797      2.311288
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.194759873068
  N      -3.281190     -3.501627      2.101245
  C      -2.822982     -4.513635      1.142734
  C      -2.539160     -5.878776      1.789526
  N      -3.584006     -6.240071      2.797227
  C      -4.831881     -6.773436      2.181103
  C      -6.040556     -6.536354      3.091819
  N      -6.000604     -5.153615      3.568668
  Mo     -4.107532     -4.391023      3.817848
  N      -3.146158     -5.274098      5.445706
  C      -2.351042     -6.413338      4.976778
  C      -3.067120     -7.152928      3.847222
  H      -2.175443     -7.171742      5.767979
  H      -1.340904     -6.103736      4.636198
  H      -3.938422     -7.663613      4.283343
  H      -2.396909     -7.919421      3.418336
  H      -6.950141     -6.743662      2.496275
  H      -6.032978     -7.272930      3.925076
  H      -4.986270     -6.224929      1.241408
  H      -4.731120     -7.850321      1.956136
  H      -1.924508     -4.198371      0.587637
  H      -3.622102     -4.651900      0.388305
  H      -1.583953     -5.828552      2.332742
  H      -2.452406     -6.661710      1.010519
  C      -0.320592     -3.219956      3.711521
  N      -1.726618     -2.818082      3.828898
  C      -2.436545     -2.421652      2.537297
  C      -1.507908     -1.800014      1.484393
  C      -2.235213     -1.286619      0.263494
  C      -3.405408     -0.519320      0.363530
  C      -4.029517     -0.014068     -0.778145
  C      -3.492452     -0.260667     -2.044525
  C      -2.329666     -1.024193     -2.159030
  C      -1.711461     -1.532156     -1.013548
  C      -6.718911     -6.105615      6.737611
  N      -6.339956     -4.922073      5.962222
  C      -6.969327     -4.761877      4.591273
  C      -8.362003     -5.370309      4.466563
  C      -9.402725     -4.747830      5.381794
  C     -10.726256     -5.212189      5.304257
  C     -11.730855     -4.673755      6.107797
  C     -11.428521     -3.658268      7.018902
  C     -10.115878     -3.197719      7.118915
  C      -9.109234     -3.734927      6.309050
  C      -3.881734     -4.718629      8.613184
  N      -3.592649     -3.915385      7.422361
  C      -2.532039     -4.421497      6.497205
  C      -1.364588     -5.056092      7.252213
  C      -0.642895     -4.116056      8.196032
  C      -0.051579     -4.634592      9.358037
  C       0.672406     -3.818857     10.229272
  C       0.816629     -2.457323      9.953351
  C       0.228963     -1.926612      8.803223
  C      -0.491753     -2.747096      7.931629
  H      -0.116564     -3.982693      2.933554
  H       0.012620     -3.626854      4.677866
  H       0.298485     -2.338309      3.497057
  H      -2.273624     -3.683785      3.895036
  H      -3.112464     -1.608298      2.869205
  H      -0.732119     -2.512164      1.167064
  H      -0.987139     -0.962759      1.979656
  H      -3.836004     -0.313836      1.344712
  H      -4.938453      0.581684     -0.672927
  H      -3.977567      0.144090     -2.934683
  H      -1.897074     -1.223028     -3.141709
  H      -0.797642     -2.124787     -1.107412
  H      -6.136513     -6.113544      7.668796
  H      -7.781057     -6.053913      7.013048
  H      -6.539327     -7.066584      6.220574
  H      -5.371480     -5.061718      5.614357
  H      -7.114784     -3.673707      4.467537
  H      -8.658740     -5.222924      3.415116
  H      -8.349627     -6.457479      4.641909
  H     -10.966789     -6.005174      4.591121
  H     -12.753162     -5.047807      6.022717
  H     -12.209697     -3.233971      7.652385
  H      -9.860901     -2.415257      7.836672
  H      -8.081107     -3.386301      6.438671
  H      -3.091989     -4.608404      9.370009
  H      -4.017080     -5.801523      8.414874
  H      -4.827243     -4.330467      9.025100
  H      -4.434471     -4.033926      6.855517
  H      -2.142987     -3.518291      6.000747
  H      -0.634059     -5.422932      6.513660
  H      -1.699563     -5.941079      7.815856
  H      -0.162131     -5.700155      9.576606
  H       1.125987     -4.249713     11.124185
  H       1.382916     -1.813168     10.628541
  H       0.330842     -0.863950      8.573629
  H      -0.941349     -2.309772      7.038955
  N      -4.830610     -2.681151      5.138801
  H      -5.149614     -1.867482      4.610239
  H      -4.113346     -2.311981      5.780466
  H      -5.620265     -2.957164      5.748432
  N      -5.436889     -2.980249      2.756370
  N      -6.111772     -2.254068      2.239942
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.205575869859
  N      -3.266754     -3.475332      2.081263
  C      -2.806836     -4.499646      1.138664
  C      -2.529542     -5.855137      1.797169
  N      -3.578430     -6.208765      2.807499
  C      -4.826258     -6.758207      2.202337
  C      -6.023215     -6.539628      3.128500
  N      -6.000706     -5.152633      3.591979
  Mo     -4.105696     -4.356970      3.823495
  N      -3.138051     -5.230476      5.436830
  C      -2.336879     -6.373143      4.974831
  C      -3.056075     -7.119349      3.860595
  H      -2.158441     -7.123862      5.771286
  H      -1.330383     -6.062857      4.628897
  H      -3.926606     -7.629754      4.298199
  H      -2.391472     -7.887719      3.425879
  H      -6.935408     -6.765565      2.542646
  H      -5.995793     -7.276481      3.961028
  H      -4.993497     -6.218105      1.259473
  H      -4.708532     -7.834520      1.978858
  H      -1.906372     -4.193894      0.580051
  H      -3.602512     -4.646539      0.380827
  H      -1.577783     -5.805758      2.347380
  H      -2.442312     -6.649171      1.029215
  C      -0.298209     -3.120334      3.684417
  N      -1.710616     -2.733692      3.799956
  C      -2.437281     -2.375578      2.501072
  C      -1.516310     -1.767958      1.434919
  C      -2.246467     -1.290582      0.202235
  C      -3.423014     -0.529751      0.283035
  C      -4.054816     -0.061712     -0.870264
  C      -3.520464     -0.340439     -2.131755
  C      -2.351348     -1.097685     -2.227854
  C      -1.725464     -1.567433     -1.069905
  C      -6.748482     -6.099897      6.763650
  N      -6.361465     -4.915565      5.990115
  C      -6.973473     -4.762120      4.609095
  C      -8.362263     -5.377434      4.476490
  C      -9.409945     -4.760337      5.384598
  C     -10.736613     -5.212584      5.288888
  C     -11.745497     -4.674513      6.087914
  C     -11.444429     -3.670977      7.013711
  C     -10.127878     -3.223865      7.132418
  C      -9.117645     -3.761020      6.326799
  C      -3.856345     -4.766983      8.616736
  N      -3.579999     -3.915713      7.452665
  C      -2.524913     -4.395039      6.506702
  C      -1.362997     -5.054884      7.249613
  C      -0.638360     -4.152100      8.226609
  C      -0.063256     -4.712923      9.377375
  C       0.661655     -3.932693     10.280297
  C       0.823536     -2.564580     10.048625
  C       0.252520     -1.991796      8.909638
  C      -0.469436     -2.776865      8.007079
  H      -0.085145     -3.895456      2.920722
  H       0.043606     -3.503351      4.657718
  H       0.307269     -2.233735      3.450295
  H      -2.236621     -3.610081      3.886177
  H      -3.124737     -1.568033      2.822326
  H      -0.734329     -2.480413      1.132520
  H      -0.998438     -0.915376      1.907571
  H      -3.854311     -0.300577      1.258882
  H      -4.969621      0.528488     -0.780720
  H      -4.012441      0.032812     -3.032434
  H      -1.921403     -1.322569     -3.206661
  H      -0.808120     -2.157732     -1.150793
  H      -6.181885     -6.103760      7.704618
  H      -7.815191     -6.050320      7.022087
  H      -6.559099     -7.062948      6.253247
  H      -5.387725     -5.054974      5.669090
  H      -7.125413     -3.674740      4.479249
  H      -8.658083     -5.230813      3.424318
  H      -8.348097     -6.465757      4.648671
  H     -10.978379     -5.995890      4.564432
  H     -12.770382     -5.039334      5.988270
  H     -12.229640     -3.247534      7.643662
  H      -9.875352     -2.452615      7.863830
  H      -8.084415     -3.430894      6.475095
  H      -3.057912     -4.685308      9.367809
  H      -3.997032     -5.841138      8.379174
  H      -4.797850     -4.395829      9.053405
  H      -4.437931     -3.995069      6.903583
  H      -2.127751     -3.478957      6.034647
  H      -0.631048     -5.405193      6.505196
  H      -1.708123     -5.952965      7.784444
  H      -0.188425     -5.783512      9.563842
  H       1.101185     -4.395689     11.166759
  H       1.389715     -1.948556     10.750395
  H       0.368773     -0.922881      8.716679
  H      -0.906875     -2.306975      7.125034
  N      -4.823876     -2.592960      5.143783
  H      -5.146556     -1.785699      4.605235
  H      -4.102908     -2.214454      5.774522
  H      -5.607557     -2.864637      5.760343
  N      -5.466024     -2.945604      2.720301
  N      -6.145052     -2.226220      2.195763
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.213639092008
  N      -3.250979     -3.456790      2.075913
  C      -2.797254     -4.486846      1.141753
  C      -2.526457     -5.838481      1.804566
  N      -3.576505     -6.184053      2.817151
  C      -4.826687     -6.739610      2.222233
  C      -6.008545     -6.536250      3.168816
  N      -5.993738     -5.149581      3.628676
  Mo     -4.098070     -4.334447      3.838505
  N      -3.121615     -5.205546      5.426937
  C      -2.320518     -6.351340      4.965821
  C      -3.049630     -7.099147      3.865163
  H      -2.136711     -7.094842      5.766196
  H      -1.318264     -6.040298      4.610289
  H      -3.918305     -7.608555      4.306256
  H      -2.394897     -7.868990      3.418745
  H      -6.926768     -6.771082      2.595721
  H      -5.963247     -7.277085      3.996627
  H      -5.007435     -6.200052      1.281737
  H      -4.698583     -7.813544      1.991992
  H      -1.896565     -4.190226      0.578036
  H      -3.592742     -4.634734      0.383244
  H      -1.575838     -5.794912      2.357563
  H      -2.444349     -6.639345      1.043689
  C      -0.265626     -3.044127      3.653250
  N      -1.682221     -2.670522      3.775715
  C      -2.430769     -2.343718      2.476199
  C      -1.519475     -1.748271      1.395526
  C      -2.257373     -1.298254      0.157694
  C      -3.436383     -0.540534      0.230773
  C      -4.080426     -0.101668     -0.926780
  C      -3.556933     -0.408025     -2.186429
  C      -2.385364     -1.162378     -2.275189
  C      -1.747182     -1.602069     -1.112447
  C      -6.769679     -6.106207      6.794855
  N      -6.368975     -4.919677      6.029077
  C      -6.965544     -4.759477      4.642550
  C      -8.356381     -5.370835      4.493664
  C      -9.420574     -4.758179      5.384878
  C     -10.748121     -5.197338      5.251493
  C     -11.771626     -4.661125      6.032662
  C     -11.485322     -3.671634      6.978282
  C     -10.168121     -3.237840      7.134369
  C      -9.143444     -3.773542      6.346783
  C      -3.832759     -4.827843      8.612211
  N      -3.562757     -3.937272      7.474491
  C      -2.511596     -4.383863      6.512795
  C      -1.345222     -5.053588      7.242007
  C      -0.628200     -4.173779      8.244470
  C      -0.059390     -4.761710      9.384605
  C       0.657199     -4.002644     10.311610
  C       0.816973     -2.628861     10.115530
  C       0.252518     -2.029274      8.987068
  C      -0.461382     -2.793222      8.060972
  H      -0.051217     -3.828545      2.899853
  H       0.087456     -3.408370      4.629568
  H       0.329533     -2.155543      3.400647
  H      -2.188185     -3.556950      3.881812
  H      -3.125122     -1.542066      2.793572
  H      -0.735708     -2.462276      1.101778
  H      -0.999985     -0.885270      1.847052
  H      -3.861305     -0.291417      1.204647
  H      -4.997595      0.485419     -0.843963
  H      -4.059105     -0.059969     -3.091234
  H      -1.964538     -1.409580     -3.252319
  H      -0.829518     -2.192318     -1.188591
  H      -6.215606     -6.113667      7.743329
  H      -7.839108     -6.055213      7.040227
  H      -6.576939     -7.068924      6.285187
  H      -5.390524     -5.063560      5.734388
  H      -7.113571     -3.671478      4.512479
  H      -8.643883     -5.219746      3.439870
  H      -8.344482     -6.460703      4.656686
  H     -10.980365     -5.968743      4.511511
  H     -12.796423     -5.016150      5.903637
  H     -12.282552     -3.250051      7.593747
  H      -9.928685     -2.478697      7.882427
  H      -8.109384     -3.461140      6.525780
  H      -3.031661     -4.768346      9.361746
  H      -3.973967     -5.893018      8.338898
  H      -4.772925     -4.474964      9.065758
  H      -4.429916     -3.982975      6.937755
  H      -2.117104     -3.456221      6.062042
  H      -0.609077     -5.380188      6.491565
  H      -1.687047     -5.966452      7.752081
  H      -0.184003     -5.836375      9.545010
  H       1.090697     -4.485932     11.189873
  H       1.375542     -2.029791     10.837365
  H       0.367551     -0.955549      8.823755
  H      -0.894760     -2.302110      7.188294
  N      -4.800300     -2.526507      5.163337
  H      -5.125912     -1.726004      4.616251
  H      -4.072110     -2.144591      5.781557
  H      -5.577236     -2.794985      5.785935
  N      -5.490934     -2.911351      2.708805
  N      -6.172199     -2.194260      2.184424
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.220051074398
  N      -3.235568     -3.446112      2.086588
  C      -2.787941     -4.476124      1.154534
  C      -2.524678     -5.828346      1.816049
  N      -3.577959     -6.167597      2.826494
  C      -4.829447     -6.722774      2.234691
  C      -5.998567     -6.533679      3.198325
  N      -5.985880     -5.150426      3.663875
  Mo     -4.093731     -4.324552      3.859267
  N      -3.109811     -5.196912      5.419067
  C      -2.310456     -6.345412      4.959304
  C      -3.050037     -7.091915      3.867439
  H      -2.120968     -7.081673      5.763925
  H      -1.312194     -6.032933      4.594414
  H      -3.917172     -7.600620      4.311279
  H      -2.404823     -7.862522      3.409021
  H      -6.922684     -6.770296      2.635307
  H      -5.940671     -7.281861      4.018451
  H      -5.020364     -6.176690      1.300226
  H      -4.694986     -7.793183      1.991521
  H      -1.886053     -4.186536      0.588632
  H      -3.582218     -4.620659      0.393420
  H      -1.575421     -5.792369      2.372009
  H      -2.447104     -6.632188      1.058181
  C      -0.234160     -2.984712      3.638216
  N      -1.654684     -2.625042      3.767367
  C      -2.423126     -2.323233      2.469117
  C      -1.519094     -1.735779      1.377913
  C      -2.263575     -1.305626      0.136978
  C      -3.443637     -0.549550      0.206491
  C      -4.098808     -0.132815     -0.952646
  C      -3.586082     -0.461245     -2.211000
  C      -2.413423     -1.214088     -2.296280
  C      -1.763953     -1.630935     -1.131684
  C      -6.811362     -6.131023      6.812655
  N      -6.385624     -4.940948      6.064067
  C      -6.959133     -4.762757      4.673093
  C      -8.353306     -5.363017      4.500273
  C      -9.429227     -4.752889      5.376781
  C     -10.759319     -5.168934      5.204150
  C     -11.792215     -4.630865      5.971084
  C     -11.513301     -3.662242      6.940332
  C     -10.193796     -3.251639      7.134429
  C      -9.159768     -3.789807      6.361653
  C      -3.806888     -4.880296      8.610616
  N      -3.545504     -3.961795      7.493252
  C      -2.504555     -4.382366      6.516029
  C      -1.326333     -5.051642      7.228160
  C      -0.616191     -4.181094      8.242958
  C      -0.043361     -4.780386      9.374849
  C       0.665993     -4.028584     10.313003
  C       0.814244     -2.651048     10.136525
  C       0.246117     -2.040392      9.016018
  C      -0.460816     -2.797029      8.079211
  H      -0.018328     -3.775518      2.892204
  H       0.128104     -3.334643      4.616450
  H       0.352800     -2.094589      3.372123
  H      -2.140208     -3.521363      3.889923
  H      -3.123520     -1.527314      2.785354
  H      -0.734272     -2.451054      1.090645
  H      -0.998316     -0.865824      1.813949
  H      -3.861349     -0.284912      1.179464
  H      -5.017211      0.452388     -0.873151
  H      -4.097578     -0.132589     -3.117525
  H      -2.001606     -1.479089     -3.272308
  H      -0.846877     -2.222026     -1.205669
  H      -6.274257     -6.150931      7.770644
  H      -7.884316     -6.073757      7.040217
  H      -6.618409     -7.091210      6.298394
  H      -5.400338     -5.091659      5.800026
  H      -7.096985     -3.672629      4.550098
  H      -8.629376     -5.200297      3.445153
  H      -8.347546     -6.455044      4.648801
  H     -10.986864     -5.923018      4.445403
  H     -12.818661     -4.967884      5.812356
  H     -12.318474     -3.239283      7.543881
  H      -9.961578     -2.509184      7.900990
  H      -8.123875     -3.501522      6.568041
  H      -2.999872     -4.838356      9.354606
  H      -3.951118     -5.937862      8.310574
  H      -4.741912     -4.540912      9.083038
  H      -4.421538     -3.973610      6.970094
  H      -2.118460     -3.446623      6.076755
  H      -0.589392     -5.356088      6.469159
  H      -1.656137     -5.977045      7.722759
  H      -0.160071     -5.857718      9.521097
  H       1.101746     -4.520102     11.185243
  H       1.366122     -2.057907     10.867941
  H       0.352415     -0.963623      8.869292
  H      -0.897868     -2.296984      7.213314
  N      -4.780047     -2.485133      5.191303
  H      -5.106667     -1.690828      4.636535
  H      -4.045173     -2.104307      5.800245
  H      -5.553012     -2.752260      5.816696
  N      -5.517621     -2.882664      2.708276
  N      -6.198763     -2.165683      2.186837
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.225373564472
  N      -3.220668     -3.441839      2.104589
  C      -2.782141     -4.468602      1.168301
  C      -2.525037     -5.823733      1.825009
  N      -3.579803     -6.156819      2.834327
  C      -4.834334     -6.706496      2.244671
  C      -5.990709     -6.528337      3.224525
  N      -5.972297     -5.149856      3.701964
  Mo     -4.086238     -4.321427      3.881581
  N      -3.092234     -5.198187      5.410469
  C      -2.296885     -6.349434      4.951185
  C      -3.050404     -7.092284      3.866773
  H      -2.101308     -7.079600      5.759089
  H      -1.302774     -6.036595      4.575606
  H      -3.915439     -7.599203      4.315918
  H      -2.415587     -7.863904      3.396018
  H      -6.922253     -6.760714      2.671986
  H      -5.923457     -7.285281      4.035728
  H      -5.034453     -6.149179      1.318950
  H      -4.699080     -7.773068      1.985274
  H      -1.880089     -4.184605      0.599643
  H      -3.577004     -4.607330      0.406008
  H      -1.575279     -5.795490      2.380444
  H      -2.453929     -6.628221      1.067371
  C      -0.198388     -2.939127      3.620440
  N      -1.622109     -2.593409      3.760201
  C      -2.412297     -2.311467      2.466999
  C      -1.517092     -1.730487      1.364874
  C      -2.271191     -1.314393      0.124711
  C      -3.450466     -0.557605      0.197152
  C      -4.119392     -0.157572     -0.959886
  C      -3.621664     -0.504784     -2.219076
  C      -2.449793     -1.258327     -2.307185
  C      -1.786319     -1.657990     -1.144576
  C      -6.839991     -6.163514      6.832170
  N      -6.392176     -4.969226      6.101997
  C      -6.946618     -4.765278      4.709528
  C      -8.346679     -5.348122      4.511196
  C      -9.436381     -4.737281      5.369633
  C     -10.767102     -5.129846      5.153190
  C     -11.812287     -4.588756      5.900865
  C     -11.545971     -3.639647      6.892526
  C     -10.226756     -3.251247      7.128562
  C      -9.180232     -3.793174      6.375912
  C      -3.786822     -4.950256      8.597958
  N      -3.532909     -4.000599      7.506447
  C      -2.496931     -4.387556      6.517829
  C      -1.302030     -5.046755      7.213479
  C      -0.605061     -4.178094      8.238877
  C      -0.024164     -4.781303      9.364309
  C       0.672696     -4.029241     10.311532
  C       0.799946     -2.647881     10.150501
  C       0.224098     -2.033500      9.036112
  C      -0.470606     -2.790254      8.090573
  H       0.016985     -3.734375      2.879058
  H       0.174498     -3.278134      4.598659
  H       0.380934     -2.047558      3.342623
  H      -2.087680     -3.498228      3.898725
  H      -3.115867     -1.519414      2.785361
  H      -0.733328     -2.447652      1.079956
  H      -0.993419     -0.856291      1.788170
  H      -3.856863     -0.279923      1.171330
  H      -5.037435      0.427693     -0.878377
  H      -4.144520     -0.190855     -3.124181
  H      -2.050198     -1.538375     -3.283939
  H      -0.871098     -2.251381     -1.220966
  H      -6.314670     -6.198000      7.796589
  H      -7.914896     -6.099997      7.047657
  H      -6.649321     -7.119770      6.309895
  H      -5.401983     -5.127145      5.865407
  H      -7.070298     -3.672193      4.597933
  H      -8.607263     -5.172748      3.454113
  H      -8.350147     -6.442088      4.644882
  H     -10.985450     -5.867751      4.376293
  H     -12.838666     -4.907977      5.709210
  H     -12.361246     -3.214048      7.480187
  H     -10.005456     -2.523345      7.911957
  H      -8.145564     -3.525605      6.611472
  H      -2.977608     -4.923442      9.340177
  H      -3.926340     -5.999842      8.268386
  H      -4.720247     -4.631426      9.086013
  H      -4.413285     -3.981850      6.990922
  H      -2.126521     -3.441812      6.088170
  H      -0.562919     -5.324276      6.446261
  H      -1.611952     -5.986266      7.693938
  H      -0.125400     -5.861542      9.499092
  H       1.114234     -4.523486     11.179119
  H       1.341196     -2.054621     10.889518
  H       0.314135     -0.953745      8.902000
  H      -0.914209     -2.287117      7.229776
  N      -4.752429     -2.460491      5.221497
  H      -5.079914     -1.672022      4.659695
  H      -4.009937     -2.082732      5.821474
  H      -5.522314     -2.724807      5.850102
  N      -5.542722     -2.857017      2.715183
  N      -6.224757     -2.139258      2.199235
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.230134512034
  N      -3.206676     -3.441203      2.130513
  C      -2.775580     -4.462600      1.187393
  C      -2.525265     -5.821907      1.838409
  N      -3.583542     -6.150104      2.843304
  C      -4.839560     -6.691489      2.250017
  C      -5.988018     -6.521144      3.239319
  N      -5.959992     -5.148378      3.733427
  Mo     -4.083605     -4.322249      3.903027
  N      -3.080047     -5.203473      5.404299
  C      -2.289525     -6.358787      4.948954
  C      -3.055704     -7.097031      3.869282
  H      -2.090335     -7.083623      5.760411
  H      -1.298242     -6.047553      4.564582
  H      -3.920076     -7.600825      4.322680
  H      -2.430005     -7.870194      3.389239
  H      -6.925379     -6.745010      2.693354
  H      -5.917750     -7.287101      4.041578
  H      -5.043420     -6.120104      1.333873
  H      -4.706670     -7.754198      1.973661
  H      -1.872080     -4.182390      0.619363
  H      -3.569406     -4.594308      0.422148
  H      -1.576038     -5.800479      2.394642
  H      -2.458490     -6.625565      1.079737
  C      -0.165756     -2.897947      3.614399
  N      -1.593278     -2.568838      3.761778
  C      -2.401506     -2.304084      2.473567
  C      -1.512549     -1.728855      1.363427
  C      -2.273586     -1.323308      0.123691
  C      -3.451106     -0.564136      0.198303
  C      -4.130831     -0.177412     -0.956929
  C      -3.645842     -0.541358     -2.216260
  C      -2.475683     -1.297090     -2.306419
  C      -1.801153     -1.683164     -1.145585
  C      -6.884711     -6.201426      6.837607
  N      -6.409074     -5.003316      6.131120
  C      -6.939847     -4.769741      4.738255
  C      -8.344249     -5.333980      4.512312
  C      -9.442544     -4.724552      5.359305
  C     -10.774267     -5.089235      5.103960
  C     -11.826379     -4.546692      5.840633
  C     -11.566358     -3.623544      6.858002
  C     -10.246790     -3.261943      7.131037
  C      -9.193228     -3.806134      6.390216
  C      -3.765538     -5.006460      8.589737
  N      -3.520800     -4.031277      7.521079
  C      -2.494913     -4.393339      6.519330
  C      -1.281732     -5.039618      7.196747
  C      -0.592679     -4.168774      8.225584
  C      -0.001808     -4.770325      9.346433
  C       0.687367     -4.014164     10.296105
  C       0.796690     -2.630680     10.141708
  C       0.211295     -2.018014      9.031427
  C      -0.475981     -2.778678      8.083759
  H       0.053064     -3.695559      2.876489
  H       0.215605     -3.227641      4.592577
  H       0.405095     -2.003460      3.328548
  H      -2.038879     -3.481169      3.914322
  H      -3.107415     -1.514291      2.792944
  H      -0.730023     -2.448106      1.081113
  H      -0.986997     -0.851953      1.777929
  H      -3.847320     -0.274712      1.173293
  H      -5.047675      0.409312     -0.873731
  H      -4.177671     -0.239078     -3.119985
  H      -2.086460     -1.590384     -3.283350
  H      -0.888278     -2.279699     -1.223514
  H      -6.374593     -6.255096      7.809301
  H      -7.961970     -6.127858      7.037756
  H      -6.697986     -7.152752      6.304887
  H      -5.413953     -5.168172      5.923560
  H      -7.049004     -3.673794      4.642141
  H      -8.589033     -5.141936      3.454261
  H      -8.357805     -6.429933      4.628193
  H     -10.987550     -5.806090      4.306441
  H     -12.853325     -4.844297      5.620012
  H     -12.387300     -3.196430      7.436393
  H     -10.031070     -2.553466      7.933397
  H      -8.159179     -3.561425      6.650044
  H      -2.950097     -4.994945      9.325718
  H      -3.904881     -6.048291      8.235601
  H      -4.693496     -4.704003      9.096934
  H      -4.406052     -3.979473      7.016521
  H      -2.141221     -3.440444      6.092704
  H      -0.544832     -5.295194      6.419540
  H      -1.570508     -5.989861      7.669032
  H      -0.089730     -5.852208      9.476244
  H       1.136283     -4.506999     11.160547
  H       1.331296     -2.034198     10.882816
  H       0.287418     -0.936668      8.902445
  H      -0.926913     -2.276830      7.226013
  N      -4.734021     -2.448787      5.247401
  H      -5.060941     -1.665955      4.677835
  H      -3.986890     -2.074142      5.842055
  H      -5.503714     -2.709136      5.876591
  N      -5.572814     -2.835855      2.713992
  N      -6.256951     -2.119033      2.202309
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.234868723820
  N      -3.194910     -3.441424      2.157466
  C      -2.774119     -4.456890      1.205223
  C      -2.527564     -5.820098      1.850440
  N      -3.586344     -6.144522      2.852604
  C      -4.844852     -6.676145      2.256576
  C      -5.986392     -6.509319      3.253421
  N      -5.945040     -5.142446      3.765653
  Mo     -4.079842     -4.322026      3.921437
  N      -3.062451     -5.208445      5.396202
  C      -2.276763     -6.368466      4.945442
  C      -3.057287     -7.102309      3.871821
  H      -2.073940     -7.089733      5.759306
  H      -1.288053     -6.060553      4.551553
  H      -3.920472     -7.602247      4.331587
  H      -2.440789     -7.877482      3.383219
  H      -6.929847     -6.722386      2.714239
  H      -5.915104     -7.282900      4.047979
  H      -5.050626     -6.090421      1.350163
  H      -4.717968     -7.735639      1.964707
  H      -1.870703     -4.178968      0.636518
  H      -3.569077     -4.581640      0.439532
  H      -1.577321     -5.803683      2.404553
  H      -2.466264     -6.622759      1.090596
  C      -0.132266     -2.856842      3.602050
  N      -1.563314     -2.546203      3.758719
  C      -2.389894     -2.297447      2.478134
  C      -1.508448     -1.729439      1.358849
  C      -2.277660     -1.333248      0.120755
  C      -3.452629     -0.570462      0.198711
  C      -4.143565     -0.195818     -0.953836
  C      -3.672402     -0.576110     -2.213549
  C      -2.504736     -1.335110     -2.306945
  C      -1.818786     -1.709056     -1.148793
  C      -6.913216     -6.239318      6.846197
  N      -6.417171     -5.036301      6.162545
  C      -6.929794     -4.772058      4.771815
  C      -8.338133     -5.316787      4.519477
  C      -9.445597     -4.707154      5.353961
  C     -10.776267     -5.047672      5.061934
  C     -11.836619     -4.503794      5.785659
  C     -11.586344     -3.602508      6.824631
  C     -10.268581     -3.263208      7.132307
  C      -9.206640     -3.809581      6.405206
  C      -3.749756     -5.073099      8.571661
  N      -3.511081     -4.068257      7.531837
  C      -2.490080     -4.400777      6.520408
  C      -1.259956     -5.032407      7.182937
  C      -0.583092     -4.159730      8.218187
  C       0.014901     -4.759389      9.336073
  C       0.692361     -3.998967     10.290983
  C       0.782551     -2.613382     10.144471
  C       0.190343     -2.002571      9.036743
  C      -0.485408     -2.767296      8.084148
  H       0.091148     -3.655460      2.866545
  H       0.258935     -3.177604      4.579248
  H       0.427929     -1.958128      3.308614
  H      -1.989270     -3.464446      3.925455
  H      -3.095869     -1.507678      2.798481
  H      -0.728402     -2.451577      1.078017
  H      -0.980283     -0.850522      1.764842
  H      -3.837566     -0.269334      1.174730
  H      -5.058507      0.393361     -0.867830
  H      -4.213463     -0.284115     -3.115121
  H      -2.126625     -1.641221     -3.284251
  H      -0.908644     -2.309301     -1.229049
  H      -6.413105     -6.312206      7.821952
  H      -7.991487     -6.157990      7.036980
  H      -6.730841     -7.184461      6.300985
  H      -5.419751     -5.206234      5.977982
  H      -7.026030     -3.673554      4.692353
  H      -8.565691     -5.109662      3.460341
  H      -8.362385     -6.414121      4.619245
  H     -10.981535     -5.746796      4.246901
  H     -12.862436     -4.783004      5.537680
  H     -12.413815     -3.173798      7.392376
  H     -10.060733     -2.570464      7.950235
  H      -8.175106     -3.582099      6.687905
  H      -2.931397     -5.078505      9.304769
  H      -3.885171     -6.105288      8.188200
  H      -4.675310     -4.791762      9.094369
  H      -4.397970     -3.986201      7.034318
  H      -2.155043     -3.439164      6.099331
  H      -0.523344     -5.264374      6.397997
  H      -1.527165     -5.993772      7.645271
  H      -0.058581     -5.843008      9.459695
  H       1.146674     -4.490382     11.153350
  H       1.307514     -2.013479     10.889653
  H       0.251499     -0.919640      8.913478
  H      -0.941494     -2.266999      7.228201
  N      -4.714633     -2.442425      5.265364
  H      -5.042503     -1.665183      4.687989
  H      -3.964029     -2.069133      5.855392
  H      -5.484451     -2.697818      5.895732
  N      -5.606991     -2.819821      2.699168
  N      -6.297095     -2.105949      2.192450
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.239764490505
  N      -3.187335     -3.442429      2.190940
  C      -2.775386     -4.450507      1.227577
  C      -2.530762     -5.817541      1.865928
  N      -3.589800     -6.140118      2.864295
  C      -4.849937     -6.661398      2.264499
  C      -5.986710     -6.495882      3.266060
  N      -5.932304     -5.134397      3.794562
  Mo     -4.080387     -4.321000      3.938649
  N      -3.046202     -5.212792      5.389150
  C      -2.264924     -6.378592      4.944543
  C      -3.059260     -7.108465      3.877106
  H      -2.059092     -7.097452      5.760012
  H      -1.277983     -6.075795      4.541690
  H      -3.921845     -7.603925      4.343003
  H      -2.450761     -7.885925      3.381783
  H      -6.935244     -6.697956      2.732649
  H      -5.915699     -7.275127      4.054949
  H      -5.055438     -6.061898      1.367289
  H      -4.730229     -7.718098      1.959257
  H      -1.872222     -4.172173      0.659349
  H      -3.571278     -4.568195      0.461572
  H      -1.579321     -5.804107      2.417598
  H      -2.473340     -6.618504      1.104316
  C      -0.104003     -2.813813      3.595667
  N      -1.538629     -2.523902      3.759285
  C      -2.380657     -2.290379      2.487040
  C      -1.504972     -1.730643      1.359685
  C      -2.280143     -1.343364      0.122078
  C      -3.452599     -0.576655      0.200805
  C      -4.151936     -0.213584     -0.950398
  C      -3.691633     -0.609736     -2.209243
  C      -2.526398     -1.372278     -2.303338
  C      -1.831886     -1.734766     -1.146591
  C      -6.948369     -6.276453      6.849784
  N      -6.430855     -5.069256      6.190522
  C      -6.923606     -4.773489      4.802317
  C      -8.333762     -5.298596      4.521452
  C      -9.448798     -4.691184      5.346988
  C     -10.777722     -5.006858      5.020528
  C     -11.845026     -4.464162      5.734887
  C     -11.603663     -3.588286      6.797271
  C     -10.288208     -3.272308      7.137712
  C      -9.219215     -3.818225      6.420519
  C      -3.733000     -5.128695      8.554017
  N      -3.497968     -4.098524      7.541011
  C      -2.482936     -4.408502      6.520603
  C      -1.237573     -5.026735      7.169638
  C      -0.569420     -4.152079      8.208679
  C       0.034593     -4.748527      9.324930
  C       0.703210     -3.983503     10.282731
  C       0.778451     -2.596694     10.140415
  C       0.180577     -1.988931      9.033904
  C      -0.486502     -2.758054      8.078765
  H       0.127439     -3.612235      2.862412
  H       0.295516     -3.125517      4.572282
  H       0.443778     -1.909482      3.296421
  H      -1.945062     -3.446802      3.939097
  H      -3.086049     -1.499359      2.806000
  H      -0.727297     -2.455966      1.081530
  H      -0.975087     -0.849924      1.758606
  H      -3.828448     -0.264011      1.176792
  H      -5.064980      0.378355     -0.863409
  H      -4.239694     -0.327288     -3.109630
  H      -2.157007     -1.690748     -3.280026
  H      -0.924229     -2.338680     -1.227087
  H      -6.459465     -6.370271      7.829490
  H      -8.027619     -6.185618      7.030442
  H      -6.771008     -7.214954      6.291404
  H      -5.431841     -5.243170      6.026842
  H      -7.008298     -3.672722      4.740727
  H      -8.542855     -5.073711      3.462089
  H      -8.368779     -6.397087      4.602868
  H     -10.975197     -5.685660      4.186672
  H     -12.869297     -4.724165      5.461020
  H     -12.436496     -3.159957      7.357450
  H     -10.087210     -2.598221      7.972714
  H      -8.190681     -3.607935      6.725278
  H      -2.911280     -5.151746      9.283400
  H      -3.867634     -6.151027      8.144036
  H      -4.655225     -4.864959      9.091169
  H      -4.385497     -3.987383      7.050277
  H      -2.164674     -3.440012      6.102745
  H      -0.503127     -5.239732      6.377176
  H      -1.485573     -5.996624      7.624769
  H      -0.027551     -5.833234      9.445122
  H       1.162063     -4.472630     11.144009
  H       1.296144     -1.993025     10.887673
  H       0.229909     -0.905086      8.913152
  H      -0.946696     -2.260398      7.223458
  N      -4.703110     -2.442517      5.275041
  H      -5.032162     -1.670165      4.690229
  H      -3.951079     -2.069250      5.862601
  H      -5.473795     -2.692115      5.906047
  N      -5.648028     -2.807091      2.668285
  N      -6.344738     -2.095234      2.167242
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.244745733087
  N      -3.186165     -3.444885      2.229878
  C      -2.779986     -4.443609      1.251921
  C      -2.532381     -5.813466      1.881261
  N      -3.590206     -6.137299      2.876926
  C      -4.851329     -6.648913      2.274615
  C      -5.985404     -6.483826      3.278830
  N      -5.920626     -5.126568      3.820128
  Mo     -4.082530     -4.318566      3.953310
  N      -3.026249     -5.214585      5.383662
  C      -2.248410     -6.385948      4.943442
  C      -3.056059     -7.113724      3.883415
  H      -2.039304     -7.103559      5.758900
  H      -1.262924     -6.089607      4.531634
  H      -3.917820     -7.604682      4.355902
  H      -2.453630     -7.893206      3.383084
  H      -6.937713     -6.676015      2.750045
  H      -5.914496     -7.266615      4.064192
  H      -5.056111     -6.037506      1.385391
  H      -4.738513     -7.703326      1.959089
  H      -1.878441     -4.160033      0.684324
  H      -3.577445     -4.555073      0.486845
  H      -1.578819     -5.799237      2.429139
  H      -2.476395     -6.611681      1.116734
  C      -0.082210     -2.766939      3.589902
  N      -1.520400     -2.500669      3.759204
  C      -2.376184     -2.282034      2.496872
  C      -1.507000     -1.731873      1.360005
  C      -2.288350     -1.354492      0.122938
  C      -3.458848     -0.584414      0.200989
  C      -4.165796     -0.233787     -0.949519
  C      -3.715061     -0.645843     -2.206763
  C      -2.551709     -1.411439     -2.300197
  C      -1.849512     -1.761688     -1.144261
  C      -6.979467     -6.311089      6.852840
  N      -6.443614     -5.100771      6.215507
  C      -6.918392     -4.774511      4.829871
  C      -8.328924     -5.280113      4.521324
  C      -9.449783     -4.672075      5.338558
  C     -10.776678     -4.963899      4.982160
  C     -11.849764     -4.420404      5.687308
  C     -11.616366     -3.566685      6.769253
  C     -10.303410     -3.272791      7.138077
  C      -9.228531     -3.820168      6.430430
  C      -3.718503     -5.188405      8.532979
  N      -3.483185     -4.131217      7.550086
  C      -2.469623     -4.417133      6.522887
  C      -1.210147     -5.021475      7.160398
  C      -0.552014     -4.146928      8.205545
  C       0.056130     -4.741836      9.320385
  C       0.714780     -3.973997     10.283246
  C       0.775990     -2.585900     10.147312
  C       0.174284     -1.979373      9.041891
  C      -0.482938     -2.751146      8.082063
  H       0.160789     -3.563986      2.858877
  H       0.325059     -3.068905      4.566188
  H       0.450160     -1.855157      3.285833
  H      -1.907912     -3.427131      3.951743
  H      -3.080490     -1.488997      2.812075
  H      -0.731257     -2.459895      1.084284
  H      -0.976380     -0.848643      1.751634
  H      -3.826718     -0.259868      1.176141
  H      -5.077265      0.360682     -0.862488
  H      -4.269447     -0.373221     -3.106409
  H      -2.189845     -1.742226     -3.275701
  H      -0.943664     -2.368548     -1.223879
  H      -6.499386     -6.424962      7.834940
  H      -8.059110     -6.210314      7.026316
  H      -6.808293     -7.243471      6.282103
  H      -5.443504     -5.275397      6.066857
  H      -6.993105     -3.671910      4.785104
  H      -8.517905     -5.039611      3.461687
  H      -8.376348     -6.379049      4.587564
  H     -10.966813     -5.625106      4.132536
  H     -12.872273     -4.662145      5.390769
  H     -12.453482     -3.137130      7.322275
  H     -10.108158     -2.614716      7.987151
  H      -8.203478     -3.624156      6.755197
  H      -2.896832     -5.230275      9.261952
  H      -3.849758     -6.199498      8.094443
  H      -4.640683     -4.943804      9.079271
  H      -4.368727     -3.994947      7.061485
  H      -2.168752     -3.440123      6.111090
  H      -0.477131     -5.214508      6.361416
  H      -1.439284     -6.000005      7.606809
  H       0.004917     -5.827778      9.435373
  H       1.176860     -4.462348     11.143377
  H       1.285727     -1.979811     10.898228
  H       0.212432     -0.894533      8.925066
  H      -0.945805     -2.254985      7.227311
  N      -4.696005     -2.450176      5.272519
  H      -5.027048     -1.681098      4.682753
  H      -3.943764     -2.074618      5.858550
  H      -5.467313     -2.691981      5.905237
  N      -5.695178     -2.796046      2.623221
  N      -6.398678     -2.082388      2.131997
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.249492449959
  N      -3.184883     -3.444990      2.269579
  C      -2.783339     -4.433689      1.275030
  C      -2.529972     -5.805712      1.894538
  N      -3.586367     -6.134048      2.889519
  C      -4.847299     -6.637473      2.283945
  C      -5.982226     -6.474544      3.287885
  N      -5.913513     -5.121210      3.840394
  Mo     -4.084170     -4.313882      3.965503
  N      -3.006747     -5.208947      5.381886
  C      -2.233735     -6.386628      4.944462
  C      -3.050431     -7.114611      3.891197
  H      -2.024186     -7.101845      5.760907
  H      -1.248516     -6.098392      4.526194
  H      -3.912198     -7.600574      4.368759
  H      -2.452844     -7.896280      3.387883
  H      -6.935781     -6.659447      2.759787
  H      -5.911880     -7.260755      4.069742
  H      -5.050117     -6.016884      1.400538
  H      -4.738584     -7.689863      1.960502
  H      -1.884031     -4.142785      0.708112
  H      -3.582956     -4.538567      0.511589
  H      -1.574398     -5.788895      2.439031
  H      -2.473114     -6.600573      1.126382
  C      -0.063804     -2.712401      3.588013
  N      -1.506160     -2.472900      3.760287
  C      -2.373324     -2.270141      2.506529
  C      -1.512384     -1.732219      1.357211
  C      -2.301093     -1.367938      0.120891
  C      -3.469905     -0.594867      0.196932
  C      -4.185254     -0.259428     -0.953031
  C      -3.744649     -0.689570     -2.207821
  C      -2.582785     -1.457913     -2.299415
  C      -1.872356     -1.793122     -1.144074
  C      -7.011811     -6.342739      6.851228
  N      -6.457911     -5.130681      6.234080
  C      -6.915964     -4.777263      4.850337
  C      -8.326552     -5.265580      4.517794
  C      -9.450748     -4.655197      5.328533
  C     -10.776288     -4.924737      4.949653
  C     -11.852342     -4.378758      5.648389
  C     -11.623322     -3.543981      6.746081
  C     -10.311905     -3.270980      7.136140
  C      -9.234080     -3.821313      6.434924
  C      -3.708099     -5.246491      8.512873
  N      -3.466262     -4.159942      7.564570
  C      -2.453800     -4.422118      6.530258
  C      -1.182767     -5.015659      7.155854
  C      -0.532327     -4.145237      8.208569
  C       0.075329     -4.742800      9.322255
  C       0.726153     -3.976636     10.292007
  C       0.780325     -2.587478     10.164220
  C       0.179402     -1.978025      9.059654
  C      -0.470078     -2.748066      8.093340
  H       0.194212     -3.507426      2.859894
  H       0.349742     -3.003437      4.564906
  H       0.451065     -1.791922      3.280017
  H      -1.875354     -3.403473      3.965978
  H      -3.077321     -1.475192      2.815274
  H      -0.737783     -2.462292      1.084086
  H      -0.981435     -0.844819      1.738424
  H      -3.829787     -0.256171      1.170242
  H      -5.095334      0.337494     -0.867095
  H      -4.305737     -0.428739     -3.106927
  H      -2.228661     -1.802656     -3.273044
  H      -0.967868     -2.402413     -1.222045
  H      -6.540309     -6.475515      7.835284
  H      -8.091597     -6.230853      7.018288
  H      -6.848014     -7.270124      6.269884
  H      -5.455613     -5.303619      6.098462
  H      -6.982515     -3.673631      4.820576
  H      -8.497698     -5.012572      3.458189
  H      -8.386218     -6.364523      4.572689
  H     -10.962231     -5.570969      4.087527
  H     -12.873683     -4.603411      5.334538
  H     -12.462543     -3.112125      7.294316
  H     -10.119725     -2.626654      7.996490
  H      -8.211556     -3.638015      6.774761
  H      -2.887946     -5.313493      9.241864
  H      -3.840023     -6.243359      8.042803
  H      -4.630537     -5.017902      9.065675
  H      -4.348905     -3.996631      7.078375
  H      -2.168039     -3.435715      6.128493
  H      -0.451770     -5.189615      6.350448
  H      -1.396214     -6.002324      7.591953
  H       0.029969     -5.829793      9.430826
  H       1.187933     -4.467407     11.151068
  H       1.284061     -1.982630     10.920314
  H       0.212157     -0.892310      8.948430
  H      -0.931834     -2.250335      7.238843
  N      -4.690510     -2.453482      5.259882
  H      -5.022338     -1.686241      4.667401
  H      -3.938433     -2.074227      5.844253
  H      -5.462704     -2.684967      5.894795
  N      -5.743025     -2.784286      2.568882
  N      -6.449854     -2.065267      2.090191
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.253970793016
  N      -3.178953     -3.442402      2.304885
  C      -2.784574     -4.422122      1.293694
  C      -2.525214     -5.796194      1.903499
  N      -3.579054     -6.130691      2.900450
  C      -4.839769     -6.627368      2.291350
  C      -5.977476     -6.468478      3.293520
  N      -5.910305     -5.119110      3.856228
  Mo     -4.082062     -4.308158      3.974964
  N      -2.987100     -5.197037      5.382411
  C      -2.221187     -6.381390      4.946351
  C      -3.043428     -7.111271      3.898924
  H      -2.013991     -7.092651      5.765867
  H      -1.235211     -6.102108      4.523994
  H      -3.905853     -7.591575      4.380818
  H      -2.450666     -7.895793      3.394179
  H      -6.930336     -6.649109      2.762857
  H      -5.907672     -7.258604      4.071307
  H      -5.040014     -6.000208      1.411861
  H      -4.733129     -7.678094      1.961621
  H      -1.887785     -4.125371      0.726605
  H      -3.587620     -4.518870      0.533253
  H      -1.567718     -5.777290      2.444652
  H      -2.467824     -6.587605      1.131650
  C      -0.044720     -2.652227      3.586482
  N      -1.491485     -2.442669      3.760764
  C      -2.368769     -2.256174      2.514150
  C      -1.518634     -1.732816      1.349629
  C      -2.316996     -1.383965      0.115255
  C      -3.484101     -0.608209      0.190063
  C      -4.209986     -0.289623     -0.958156
  C      -3.781666     -0.739135     -2.210354
  C      -2.621154     -1.509941     -2.300991
  C      -1.900589     -1.828361     -1.147332
  C      -7.039065     -6.372929      6.846012
  N      -6.469359     -5.159577      6.247469
  C      -6.913909     -4.782110      4.865439
  C      -8.325961     -5.254908      4.514895
  C      -9.451583     -4.639935      5.319914
  C     -10.776502     -4.889669      4.925457
  C     -11.853088     -4.338901      5.619509
  C     -11.625291     -3.518302      6.728368
  C     -10.314471     -3.263974      7.132973
  C      -9.236240     -3.819341      6.436238
  C      -3.701737     -5.307235      8.491013
  N      -3.449964     -4.188244      7.583283
  C      -2.438600     -4.423486      6.541650
  C      -1.157666     -5.008190      7.154389
  C      -0.515355     -4.145074      8.217192
  C       0.087422     -4.749139      9.329933
  C       0.730089     -3.988402     10.309400
  C       0.781293     -2.598185     10.192467
  C       0.185532     -1.982121      9.088540
  C      -0.455853     -2.746763      8.112911
  H       0.230074     -3.444124      2.861114
  H       0.374809     -2.931840      4.564163
  H       0.450872     -1.722193      3.275334
  H      -1.842547     -3.377839      3.980339
  H      -3.073156     -1.459376      2.815103
  H      -0.744616     -2.464251      1.078805
  H      -0.987119     -0.839916      1.716800
  H      -3.834781     -0.253962      1.161201
  H      -5.118687      0.309591     -0.872968
  H      -4.350866     -0.491427     -3.108111
  H      -2.276310     -1.869585     -3.272605
  H      -0.997325     -2.439703     -1.224538
  H      -6.574592     -6.523028      7.831108
  H      -8.118565     -6.250545      7.008613
  H      -6.883220     -7.295935      6.255148
  H      -5.464443     -5.329500      6.123938
  H      -6.973053     -3.677947      4.849317
  H      -8.483299     -4.993280      3.455415
  H      -8.397050     -6.353534      4.562712
  H     -10.961387     -5.524660      4.054688
  H     -12.873859     -4.548420      5.293402
  H     -12.464861     -3.082694      7.273151
  H     -10.123273     -2.629946      8.001235
  H      -8.215047     -3.647360      6.785997
  H      -2.884050     -5.404655      9.219383
  H      -3.836548     -6.286158      7.985290
  H      -4.624682     -5.094014      9.048891
  H      -4.329719     -3.996982      7.101539
  H      -2.167632     -3.426550      6.154604
  H      -0.428367     -5.161580      6.343025
  H      -1.356805     -6.003484      7.577361
  H       0.044968     -5.837113      9.430154
  H       1.188246     -4.484339     11.167495
  H       1.278945     -1.997750     10.956108
  H       0.216540     -0.895496      8.985605
  H      -0.913051     -2.244577      7.258428
  N      -4.679749     -2.447109      5.240563
  H      -5.010642     -1.680302      4.646760
  H      -3.926470     -2.064127      5.821555
  H      -5.452793     -2.665660      5.878664
  N      -5.787173     -2.771609      2.511199
  N      -6.493398     -2.043727      2.047365
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.258136636450
  N      -3.167385     -3.438613      2.335269
  C      -2.783623     -4.411648      1.309448
  C      -2.520524     -5.788023      1.910466
  N      -3.570968     -6.128346      2.910402
  C      -4.831708     -6.619262      2.297341
  C      -5.973099     -6.464716      3.296402
  N      -5.910502     -5.119248      3.867336
  Mo     -4.076846     -4.302624      3.982126
  N      -2.968776     -5.181680      5.384603
  C      -2.212080     -6.373391      4.950660
  C      -3.037880     -7.105838      3.908030
  H      -2.009777     -7.079506      5.775389
  H      -1.224163     -6.103958      4.526406
  H      -3.901729     -7.579447      4.394028
  H      -2.449963     -7.894647      3.404228
  H      -6.923805     -6.643435      2.760775
  H      -5.904523     -7.258807      4.070224
  H      -5.028412     -5.987925      1.420038
  H      -4.726445     -7.668934      1.963170
  H      -1.888716     -4.112775      0.741483
  H      -3.590979     -4.498400      0.553129
  H      -1.561320     -5.768696      2.448524
  H      -2.464107     -6.576268      1.135367
  C      -0.025054     -2.590174      3.587476
  N      -1.475904     -2.413498      3.762603
  C      -2.361206     -2.242544      2.521762
  C      -1.523124     -1.734358      1.341543
  C      -2.332759     -1.401412      0.110318
  C      -3.498467     -0.623807      0.185537
  C      -4.236370     -0.321883     -0.959523
  C      -3.821447     -0.789751     -2.209405
  C      -2.661892     -1.562181     -2.300730
  C      -1.929808     -1.863993     -1.150101
  C      -7.063307     -6.401354      6.836633
  N      -6.479679     -5.186979      6.255848
  C      -6.912453     -4.787697      4.875471
  C      -8.327122     -5.246346      4.512000
  C      -9.453096     -4.626747      5.312559
  C     -10.777744     -4.859279      4.907074
  C     -11.853475     -4.303525      5.598299
  C     -11.625181     -3.494690      6.715935
  C     -10.314503     -3.256886      7.130905
  C      -9.237302     -3.817201      6.436675
  C      -3.698543     -5.366806      8.466283
  N      -3.435060     -4.214736      7.603482
  C      -2.425974     -4.422123      6.554421
  C      -1.135705     -4.999638      7.153061
  C      -0.500724     -4.144768      8.226117
  C       0.094303     -4.756565      9.338668
  C       0.729379     -4.002587     10.328225
  C       0.781011     -2.611580     10.221658
  C       0.193355     -1.987836      9.117579
  C      -0.440504     -2.745767      8.132222
  H       0.267864     -3.377387      2.864207
  H       0.400036     -2.858582      4.565897
  H       0.449929     -1.649936      3.274617
  H      -1.808871     -3.352915      3.996186
  H      -3.066515     -1.443791      2.813982
  H      -0.749055     -2.466335      1.072791
  H      -0.991105     -0.835304      1.692706
  H      -3.839354     -0.254692      1.154651
  H      -5.143983      0.278915     -0.874050
  H      -4.399762     -0.555120     -3.104809
  H      -2.327185     -1.935890     -3.270547
  H      -1.027454     -2.476652     -1.227937
  H      -6.605039     -6.567521      7.822195
  H      -8.142307     -6.269471      6.995912
  H      -6.915227     -7.320182      6.236846
  H      -5.472518     -5.353648      6.144267
  H      -6.964092     -3.683141      4.872858
  H      -8.474391     -4.978192      3.452844
  H      -8.407851     -6.344528      4.554880
  H     -10.963455     -5.484966      4.029737
  H     -12.873984     -4.499773      5.263265
  H     -12.464199     -3.055539      7.258637
  H     -10.123289     -2.631656      8.005552
  H      -8.216663     -3.656042      6.792965
  H      -2.883482     -5.498784      9.192182
  H      -3.838399     -6.324093      7.921909
  H      -4.621415     -5.168473      9.029329
  H      -4.312353     -3.995238      7.128554
  H      -2.169810     -3.414900      6.184035
  H      -0.408778     -5.132535      6.335694
  H      -1.321180     -6.003269      7.562088
  H       0.052148     -5.845229      9.430967
  H       1.181698     -4.504386     11.185994
  H       1.273097     -2.016764     10.993217
  H       0.225645     -0.900502      9.023031
  H      -0.890797     -2.238141      7.277100
  N      -4.662991     -2.431326      5.216321
  H      -4.990561     -1.663672      4.621303
  H      -3.906652     -2.046014      5.792376
  H      -5.436926     -2.634488      5.858268
  N      -5.826710     -2.757939      2.452068
  N      -6.528407     -2.016816      2.005332
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.263437909459
  N      -3.150664     -3.436072      2.361245
  C      -2.780853     -4.404180      1.322596
  C      -2.517576     -5.784255      1.915041
  N      -3.564180     -6.129215      2.918286
  C      -4.825918     -6.614742      2.301599
  C      -5.970532     -6.463073      3.297583
  N      -5.911330     -5.120991      3.875125
  Mo     -4.069142     -4.299833      3.987951
  N      -2.951182     -5.169474      5.386186
  C      -2.204653     -6.369694      4.955857
  C      -3.034293     -7.103620      3.916751
  H      -2.008777     -7.070896      5.786228
  H      -1.213948     -6.110672      4.531256
  H      -3.899904     -7.569973      4.406890
  H      -2.451333     -7.897872      3.415459
  H      -6.918833     -6.640189      2.756481
  H      -5.904555     -7.261149      4.067669
  H      -5.018527     -5.980568      1.425563
  H      -4.722642     -7.663810      1.964116
  H      -1.886846     -4.107196      0.752856
  H      -3.593216     -4.478894      0.571234
  H      -1.556439     -5.767073      2.449651
  H      -2.464404     -6.569149      1.136504
  C      -0.003941     -2.531835      3.591108
  N      -1.457936     -2.389623      3.766646
  C      -2.349596     -2.232014      2.530979
  C      -1.524314     -1.737011      1.336018
  C      -2.347058     -1.418423      0.109736
  C      -3.511899     -0.640134      0.188624
  C      -4.263403     -0.352879     -0.951334
  C      -3.862894     -0.836002     -2.200020
  C      -2.703812     -1.608840     -2.295198
  C      -1.958533     -1.896112     -1.149529
  C      -7.084834     -6.430606      6.824385
  N      -6.489039     -5.214784      6.261468
  C      -6.910404     -4.793671      4.883342
  C      -8.328475     -5.237141      4.509573
  C      -9.454133     -4.612880      5.306492
  C     -10.778430     -4.828945      4.891225
  C     -11.852818     -4.268112      5.580337
  C     -11.623599     -3.470687      6.706089
  C     -10.313150     -3.248994      7.130516
  C      -9.237454     -3.814124      6.438103
  C      -3.696985     -5.427813      8.437105
  N      -3.422706     -4.243787      7.621517
  C      -2.416070     -4.422485      6.565770
  C      -1.115463     -4.990810      7.150870
  C      -0.488912     -4.141209      8.232563
  C       0.096750     -4.757434      9.347502
  C       0.722888     -4.007201     10.345601
  C       0.775109     -2.615809     10.245035
  C       0.197249     -1.987739      9.138179
  C      -0.427761     -2.741923      8.144601
  H       0.307333     -3.312708      2.868728
  H       0.426631     -2.790200      4.569839
  H       0.449915     -1.581157      3.278288
  H      -1.772630     -3.332463      4.013715
  H      -3.055936     -1.431398      2.814987
  H      -0.749924     -2.468715      1.067950
  H      -0.991759     -0.832017      1.670999
  H      -3.842128     -0.258669      1.156665
  H      -5.170343      0.248478     -0.863148
  H      -4.451560     -0.612975     -3.091578
  H      -2.380107     -1.994163     -3.264154
  H      -1.056699     -2.509138     -1.230463
  H      -6.632030     -6.612608      7.809788
  H      -8.163250     -6.290784      6.981474
  H      -6.943764     -7.344591      6.215098
  H      -5.480414     -5.379196      6.161723
  H      -6.953008     -3.688700      4.895541
  H      -8.467387     -4.962565      3.450996
  H      -8.418195     -6.334796      4.547355
  H     -10.965487     -5.445663      4.007853
  H     -12.873056     -4.451446      5.237336
  H     -12.461808     -3.028130      7.247170
  H     -10.121745     -2.632578      8.011362
  H      -8.217127     -3.664782      6.799976
  H      -2.884712     -5.595123      9.158923
  H      -3.841127     -6.360589      7.852869
  H      -4.619752     -5.246163      9.005457
  H      -4.297892     -3.997718      7.154495
  H      -2.176055     -3.405574      6.211739
  H      -0.391156     -5.103472      6.327983
  H      -1.285646     -6.001941      7.547438
  H       0.054676     -5.846425      9.435182
  H       1.168136     -4.512165     11.205177
  H       1.260550     -2.024284     11.023250
  H       0.231085     -0.900044      9.048745
  H      -0.869820     -2.231248      7.286834
  N      -4.639930     -2.410339      5.191628
  H      -4.961814     -1.641421      4.594367
  H      -3.878409     -2.025282      5.761450
  H      -5.414404     -2.596695      5.837959
  N      -5.861939     -2.742748      2.395541
  N      -6.555969     -1.983993      1.968887
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.265865665269
  N      -3.140072     -3.443307      2.391770
  C      -2.782949     -4.404088      1.341114
  C      -2.518164     -5.786335      1.924988
  N      -3.562588     -6.136337      2.926484
  C      -4.823994     -6.609781      2.303398
  C      -5.971604     -6.461868      3.295038
  N      -5.914144     -5.124664      3.877847
  Mo     -4.064079     -4.307512      3.994139
  N      -2.941548     -5.171167      5.391728
  C      -2.205123     -6.375650      4.961058
  C      -3.041043     -7.108332      3.925854
  H      -2.013242     -7.075345      5.793726
  H      -1.212572     -6.125718      4.534592
  H      -3.910314     -7.564347      4.419484
  H      -2.464015     -7.909713      3.428890
  H      -6.917187     -6.635729      2.747945
  H      -5.908911     -7.263541      4.061758
  H      -5.010095     -5.968950      1.431055
  H      -4.725744     -7.657346      1.959661
  H      -1.890130     -4.106866      0.770471
  H      -3.600185     -4.467731      0.595174
  H      -1.556443     -5.770009      2.458425
  H      -2.465195     -6.566777      1.142276
  C       0.008559     -2.511080      3.611113
  N      -1.446864     -2.393207      3.784926
  C      -2.340179     -2.235877      2.553934
  C      -1.525687     -1.747481      1.348651
  C      -2.359700     -1.433277      0.128910
  C      -3.522725     -0.653524      0.215263
  C      -4.285385     -0.371800     -0.918505
  C      -3.897825     -0.861657     -2.168404
  C      -2.740289     -1.635724     -2.271107
  C      -1.984146     -1.917639     -1.131596
  C      -7.106666     -6.458086      6.805744
  N      -6.497660     -5.242328      6.260164
  C      -6.909034     -4.797722      4.885481
  C      -8.331171     -5.222144      4.500821
  C      -9.457050     -4.588451      5.290173
  C     -10.779941     -4.791096      4.864367
  C     -11.854390     -4.221960      5.546177
  C     -11.626815     -3.429423      6.675557
  C     -10.317796     -3.220411      7.110070
  C      -9.242137     -3.793566      6.424583
  C      -3.656499     -5.510714      8.424937
  N      -3.411201     -4.296140      7.645195
  C      -2.413830     -4.430314      6.574272
  C      -1.089948     -4.969661      7.133993
  C      -0.474337     -4.116982      8.219157
  C       0.122184     -4.729905      9.329913
  C       0.737585     -3.975336     10.331249
  C       0.768099     -2.582960     10.237997
  C       0.179610     -1.958131      9.135042
  C      -0.434675     -2.716633      8.138406
  H       0.333708     -3.283463      2.885955
  H       0.441033     -2.767606      4.589371
  H       0.447929     -1.551828      3.304113
  H      -1.752556     -3.337877      4.037835
  H      -3.045305     -1.432838      2.833205
  H      -0.752124     -2.478373      1.076767
  H      -0.991946     -0.839950      1.674834
  H      -3.843393     -0.266503      1.184293
  H      -5.190859      0.230541     -0.824534
  H      -4.495057     -0.642983     -3.055075
  H      -2.426542     -2.026167     -3.241052
  H      -1.083698     -2.531612     -1.218371
  H      -6.656506     -6.658608      7.788727
  H      -8.183340     -6.307288      6.964696
  H      -6.977102     -7.366289      6.185066
  H      -5.488990     -5.407624      6.164101
  H      -6.938909     -3.692467      4.911850
  H      -8.458456     -4.943564      3.441999
  H      -8.433303     -6.318639      4.536428
  H     -10.965964     -5.404128      3.978437
  H     -12.873319     -4.395002      5.194655
  H     -12.465084     -2.980836      7.211134
  H     -10.127751     -2.607528      7.993485
  H      -8.223690     -3.651823      6.793171
  H      -2.833982     -5.686911      9.132895
  H      -3.788430     -6.425858      7.810921
  H      -4.576039     -5.365238      9.007778
  H      -4.294534     -4.051866      7.191307
  H      -2.209390     -3.401025      6.234949
  H      -0.374652     -5.051001      6.299492
  H      -1.225931     -5.990274      7.518914
  H       0.097554     -5.819676      9.411831
  H       1.191735     -4.477692     11.187455
  H       1.245279     -1.988325     11.018669
  H       0.197078     -0.869751      9.051518
  H      -0.885001     -2.208619      7.283223
  N      -4.620921     -2.418266      5.175180
  H      -4.937271     -1.644168      4.581035
  H      -3.855200     -2.036675      5.742095
  H      -5.395513     -2.592699      5.824587
  N      -5.883200     -2.739071      2.357656
  N      -6.571135     -1.963899      1.950903
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.267829264087
  N      -3.118514     -3.456155      2.413998
  C      -2.773332     -4.412103      1.353447
  C      -2.511572     -5.797697      1.932903
  N      -3.557284     -6.147845      2.933179
  C      -4.819398     -6.611918      2.304135
  C      -5.968831     -6.464259      3.293592
  N      -5.909834     -5.129126      3.880167
  Mo     -4.054199     -4.319414      4.000262
  N      -2.933465     -5.179871      5.396722
  C      -2.204640     -6.390788      4.971670
  C      -3.044271     -7.120704      3.935767
  H      -2.020128     -7.088272      5.808224
  H      -1.208893     -6.149918      4.547120
  H      -3.917329     -7.568110      4.430387
  H      -2.472745     -7.928585      3.442726
  H      -6.913006     -6.634872      2.742598
  H      -5.910561     -7.268809      4.057654
  H      -5.000077     -5.965725      1.434899
  H      -4.725609     -7.658196      1.954615
  H      -1.880573     -4.118172      0.781162
  H      -3.594561     -4.466005      0.611589
  H      -1.550019     -5.784570      2.466516
  H      -2.459706     -6.575788      1.147839
  C       0.027168     -2.504420      3.633154
  N      -1.429354     -2.404503      3.803592
  C      -2.322481     -2.246511      2.575290
  C      -1.526355     -1.755839      1.358379
  C      -2.378563     -1.442387      0.151014
  C      -3.537845     -0.659478      0.253942
  C      -4.318103     -0.379175     -0.868003
  C      -3.951994     -0.873413     -2.122421
  C      -2.797882     -1.649964     -2.241746
  C      -2.024189     -1.930561     -1.113967
  C      -7.126406     -6.479826      6.787989
  N      -6.502931     -5.265177      6.258226
  C      -6.902499     -4.800891      4.886536
  C      -8.328162     -5.205434      4.490240
  C      -9.453597     -4.561212      5.270971
  C     -10.774424     -4.743640      4.830363
  C     -11.848046     -4.164633      5.504829
  C     -11.621690     -3.382796      6.641738
  C     -10.314714     -3.193968      7.090898
  C      -9.239992     -3.776721      6.412449
  C      -3.630073     -5.604937      8.403225
  N      -3.406073     -4.357741      7.669977
  C      -2.419694     -4.442261      6.584275
  C      -1.069687     -4.944636      7.115922
  C      -0.465735     -4.084371      8.201368
  C       0.129817     -4.688760      9.317067
  C       0.732875     -3.925824     10.319413
  C       0.752022     -2.533704     10.221798
  C       0.164972     -1.917397      9.113451
  C      -0.437147     -2.684205      8.115974
  H       0.363001     -3.270527      2.906260
  H       0.459909     -2.759562      4.611613
  H       0.456807     -1.539254      3.331025
  H      -1.729465     -3.350490      4.063512
  H      -3.028972     -1.443902      2.852495
  H      -0.753734     -2.483417      1.075527
  H      -0.991020     -0.846465      1.676845
  H      -3.841705     -0.268461      1.226744
  H      -5.220542      0.225280     -0.761096
  H      -4.563032     -0.656140     -2.999777
  H      -2.500713     -2.043611     -3.215417
  H      -1.126719     -2.546643     -1.213619
  H      -6.678936     -6.697961      7.768444
  H      -8.201158     -6.317826      6.949074
  H      -7.008394     -7.382099      6.156322
  H      -5.493923     -5.435129      6.169427
  H      -6.918810     -3.695848      4.925846
  H      -8.443961     -4.923246      3.431101
  H      -8.442893     -6.300706      4.522637
  H     -10.959524     -5.348412      3.938784
  H     -12.865326     -4.321682      5.141698
  H     -12.459372     -2.926972      7.171751
  H     -10.125767     -2.589653      7.980258
  H      -8.223572     -3.650363      6.790984
  H      -2.796704     -5.800962      9.092944
  H      -3.760100     -6.495383      7.753576
  H      -4.542315     -5.493689      9.003935
  H      -4.296534     -4.102759      7.235285
  H      -2.254775     -3.401639      6.260058
  H      -0.366346     -4.992838      6.268630
  H      -1.165573     -5.973548      7.490266
  H       0.114102     -5.778274      9.402282
  H       1.186345     -4.421446     11.179687
  H       1.219614     -1.932685     11.003154
  H       0.174279     -0.829337      9.026468
  H      -0.885823     -2.182899      7.255876
  N      -4.599802     -2.428668      5.167877
  H      -4.911293     -1.651823      4.574361
  H      -3.830619     -2.051201      5.733002
  H      -5.374014     -2.595859      5.819408
  N      -5.880817     -2.743499      2.337885
  N      -6.562508     -1.956928      1.942612
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.269710854751
  N      -3.100185     -3.469249      2.433575
  C      -2.761862     -4.421847      1.366256
  C      -2.503554     -5.809981      1.943672
  N      -3.552245     -6.159731      2.941707
  C      -4.814246     -6.617688      2.306927
  C      -5.966530     -6.469896      3.293403
  N      -5.907582     -5.135375      3.882013
  Mo     -4.047789     -4.330133      4.005518
  N      -2.927151     -5.185176      5.403379
  C      -2.206567     -6.404426      4.986616
  C      -3.047754     -7.132429      3.949191
  H      -2.031502     -7.098828      5.828043
  H      -1.206874     -6.173863      4.565670
  H      -3.924882     -7.571880      4.443607
  H      -2.480227     -7.946444      3.461434
  H      -6.908851     -6.638982      2.738353
  H      -5.912402     -7.275992      4.056076
  H      -4.989862     -5.967716      1.439673
  H      -4.723127     -7.663039      1.953481
  H      -1.867990     -4.130833      0.794135
  H      -3.584933     -4.468662      0.626476
  H      -1.543080     -5.798746      2.479123
  H      -2.450918     -6.586611      1.157206
  C       0.036956     -2.490999      3.652432
  N      -1.420256     -2.411472      3.820989
  C      -2.311949     -2.254676      2.595977
  C      -1.530693     -1.758200      1.371478
  C      -2.396897     -1.446194      0.173819
  C      -3.549895     -0.655838      0.287884
  C      -4.342741     -0.375986     -0.825252
  C      -3.995430     -0.877840     -2.081882
  C      -2.847049     -1.660939     -2.212497
  C      -2.060772     -1.941130     -1.093432
  C      -7.144608     -6.500892      6.773040
  N      -6.510534     -5.286701      6.256319
  C      -6.899599     -4.806810      4.887144
  C      -8.327573     -5.195431      4.481115
  C      -9.452519     -4.540763      5.253218
  C     -10.771051     -4.703827      4.798485
  C     -11.843699     -4.114567      5.465504
  C     -11.618653     -3.342000      6.608947
  C     -10.313962     -3.172292      7.071972
  C      -9.240292     -3.765108      6.400751
  C      -3.608974     -5.687671      8.378839
  N      -3.393739     -4.410220      7.696914
  C      -2.422441     -4.452849      6.595649
  C      -1.050242     -4.924698      7.098893
  C      -0.452541     -4.057840      8.181896
  C       0.125550     -4.653030      9.311482
  C       0.719616     -3.882021     10.313001
  C       0.747381     -2.491247     10.200109
  C       0.178295     -1.884223      9.077374
  C      -0.415012     -2.658999      8.080886
  H       0.383995     -3.249393      2.922586
  H       0.472059     -2.744502      4.630236
  H       0.454143     -1.518835      3.355058
  H      -1.714077     -3.358067      4.088609
  H      -3.022694     -1.454641      2.870674
  H      -0.756165     -2.480423      1.079767
  H      -0.996950     -0.845998      1.685153
  H      -3.838388     -0.257445      1.262331
  H      -5.240226      0.234118     -0.709592
  H      -4.616341     -0.661049     -2.952340
  H      -2.564214     -2.060086     -3.188141
  H      -1.167838     -2.562182     -1.201797
  H      -6.698452     -6.733735      7.750704
  H      -8.217714     -6.330469      6.937142
  H      -7.036043     -7.397672      6.131790
  H      -5.501051     -5.458859      6.174445
  H      -6.905224     -3.702236      4.937599
  H      -8.432997     -4.912620      3.421087
  H      -8.452984     -6.289544      4.512896
  H     -10.955082     -5.301332      3.901863
  H     -12.859194     -4.256338      5.091372
  H     -12.455651     -2.878427      7.133199
  H     -10.126118     -2.575213      7.966394
  H      -8.225934     -3.652853      6.788529
  H      -2.764674     -5.914624      9.045439
  H      -3.750690     -6.548295      7.692475
  H      -4.510066     -5.602668      8.999811
  H      -4.289132     -4.132977      7.285679
  H      -2.290850     -3.403520      6.286370
  H      -0.361005     -4.946911      6.238857
  H      -1.112260     -5.959099      7.465041
  H       0.103070     -5.741375      9.408405
  H       1.159521     -4.370266     11.184415
  H       1.208284     -1.884022     10.980580
  H       0.195366     -0.797342      8.978161
  H      -0.848596     -2.165227      7.208526
  N      -4.586571     -2.438381      5.159176
  H      -4.897078     -1.660900      4.565606
  H      -3.814393     -2.061340      5.720893
  H      -5.358454     -2.600546      5.814857
  N      -5.879476     -2.753214      2.319603
  N      -6.556449     -1.957310      1.934806
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.271465620011
  N      -3.078154     -3.485429      2.446269
  C      -2.747253     -4.434390      1.372594
  C      -2.495061     -5.825785      1.947675
  N      -3.546126     -6.173670      2.944828
  C      -4.809451     -6.626039      2.307151
  C      -5.963176     -6.475787      3.292366
  N      -5.901772     -5.141439      3.882611
  Mo     -4.038191     -4.342773      4.006779
  N      -2.918147     -5.194663      5.403751
  C      -2.203915     -6.420782      4.994073
  C      -3.047260     -7.146849      3.955621
  H      -2.037039     -7.112648      5.839305
  H      -1.201041     -6.198384      4.576469
  H      -3.927153     -7.580083      4.450422
  H      -2.483585     -7.965563      3.471205
  H      -6.904770     -6.642351      2.735011
  H      -5.913291     -7.282912      4.054085
  H      -4.981120     -5.973074      1.441504
  H      -4.721907     -7.670758      1.950676
  H      -1.851610     -4.147226      0.800985
  H      -3.571809     -4.473230      0.634361
  H      -1.535153     -5.818506      2.484050
  H      -2.443892     -6.600956      1.159730
  C       0.051330     -2.482773      3.663000
  N      -1.406048     -2.421528      3.831505
  C      -2.297614     -2.266008      2.610448
  C      -1.531974     -1.761921      1.378789
  C      -2.413448     -1.449250      0.192709
  C      -3.555887     -0.645866      0.319669
  C      -4.362930     -0.364361     -0.782733
  C      -4.040337     -0.877372     -2.041365
  C      -2.902073     -1.672746     -2.185009
  C      -2.101523     -1.954568     -1.076563
  C      -7.157308     -6.520825      6.758064
  N      -6.512369     -5.307519      6.253886
  C      -6.892116     -4.812447      4.888240
  C      -8.323064     -5.183624      4.475351
  C      -9.443292     -4.518209      5.244238
  C     -10.760761     -4.654489      4.777894
  C     -11.828237     -4.054018      5.443168
  C     -11.598887     -3.297494      6.596430
  C     -10.295180     -3.154714      7.071092
  C      -9.226729     -3.758474      6.401422
  C      -3.590423     -5.779787      8.344786
  N      -3.385867     -4.473857      7.716253
  C      -2.427718     -4.468516      6.603468
  C      -1.033805     -4.902908      7.082311
  C      -0.452551     -4.027155      8.166214
  C       0.097913     -4.609266      9.316038
  C       0.671930     -3.826695     10.320285
  C       0.707056     -2.437689     10.189419
  C       0.165821     -1.843791      9.046077
  C      -0.407592     -2.629991      8.046984
  H       0.407423     -3.233867      2.929842
  H       0.490005     -2.734942      4.639478
  H       0.456912     -1.504471      3.369544
  H      -1.694425     -3.367950      4.107853
  H      -3.013072     -1.469404      2.884032
  H      -0.756696     -2.478995      1.076134
  H      -0.998866     -0.847826      1.688431
  H      -3.824183     -0.237294      1.295704
  H      -5.252012      0.255874     -0.656984
  H      -4.672355     -0.659339     -2.903422
  H      -2.638228     -2.080173     -3.162498
  H      -1.216572     -2.584991     -1.194945
  H      -6.711635     -6.768778      7.732191
  H      -8.228449     -6.341635      6.926465
  H      -7.059171     -7.411688      6.106859
  H      -5.502927     -5.482949      6.178751
  H      -6.886478     -3.708547      4.949780
  H      -8.421024     -4.898310      3.415306
  H      -8.460429     -6.276405      4.504569
  H     -10.947975     -5.239292      3.873658
  H     -12.843055     -4.174400      5.059925
  H     -12.431922     -2.825415      7.119323
  H     -10.104139     -2.570444      7.973213
  H      -8.213152     -3.667206      6.796777
  H      -2.735023     -6.034851      8.986664
  H      -3.742992     -6.609204      7.623423
  H      -4.480175     -5.723976      8.984918
  H      -4.285945     -4.176989      7.328864
  H      -2.333486     -3.410565      6.312192
  H      -0.356232     -4.894747      6.212681
  H      -1.058099     -5.942238      7.438765
  H       0.069632     -5.696087      9.426688
  H       1.090692     -4.304519     11.207693
  H       1.152683     -1.821576     10.971733
  H       0.189742     -0.758483      8.932485
  H      -0.818935     -2.146778      7.157768
  N      -4.569072     -2.449674      5.150373
  H      -4.882849     -1.673146      4.556947
  H      -3.792449     -2.071405      5.705394
  H      -5.335515     -2.608978      5.813232
  N      -5.871274     -2.764667      2.303348
  N      -6.543748     -1.960319      1.928112
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.272944041285
  N      -3.061372     -3.500060      2.461526
  C      -2.733518     -4.445609      1.383250
  C      -2.487661     -5.840017      1.956460
  N      -3.542423     -6.186873      2.951095
  C      -4.805906     -6.634558      2.309125
  C      -5.962430     -6.482836      3.291680
  N      -5.900384     -5.148844      3.884305
  Mo     -4.033420     -4.354599      4.011145
  N      -2.913852     -5.203944      5.409193
  C      -2.206319     -6.436629      5.005503
  C      -3.050294     -7.160626      3.965281
  H      -2.047139     -7.126616      5.853820
  H      -1.200354     -6.221640      4.591612
  H      -3.933467     -7.588271      4.459064
  H      -2.489295     -7.983386      3.484578
  H      -6.902460     -6.647150      2.730749
  H      -5.916972     -7.291122      4.052332
  H      -4.973023     -5.978947      1.444648
  H      -4.720763     -7.678697      1.950249
  H      -1.834911     -4.161138      0.814650
  H      -3.557417     -4.477820      0.644260
  H      -1.529184     -5.836331      2.495311
  H      -2.436430     -6.613532      1.166943
  C       0.057699     -2.474136      3.681601
  N      -1.399750     -2.429798      3.848494
  C      -2.289392     -2.275333      2.629796
  C      -1.535275     -1.762275      1.394299
  C      -2.428464     -1.447502      0.217840
  C      -3.559356     -0.629734      0.354891
  C      -4.377390     -0.345082     -0.738519
  C      -4.077265     -0.869105     -1.998126
  C      -2.950151     -1.678251     -2.152002
  C      -2.138532     -1.963176     -1.052449
  C      -7.170301     -6.541878      6.746091
  N      -6.518697     -5.328145      6.252516
  C      -6.890684     -4.820995      4.889598
  C      -8.323172     -5.179375      4.469124
  C      -9.442569     -4.502231      5.228720
  C     -10.757082     -4.620909      4.749401
  C     -11.823282     -4.008893      5.406152
  C     -11.595607     -3.258228      6.563516
  C     -10.294823     -3.132443      7.050754
  C      -9.227671     -3.747645      6.389517
  C      -3.566827     -5.851310      8.326562
  N      -3.368248     -4.524850      7.741001
  C      -2.428792     -4.484604      6.613227
  C      -1.016747     -4.890505      7.065091
  C      -0.441227     -4.004791      8.142997
  C       0.080754     -4.571007      9.313659
  C       0.643505     -3.775401     10.314058
  C       0.696102     -2.389555     10.157789
  C       0.184057     -1.811677      8.992963
  C      -0.378268     -2.610762      7.997837
  H       0.422933     -3.217933      2.945385
  H       0.498915     -2.725353      4.657101
  H       0.452430     -1.490047      3.392563
  H      -1.684013     -3.375846      4.131839
  H      -3.010560     -1.483025      2.901905
  H      -0.758602     -2.473878      1.082007
  H      -1.003896     -0.846698      1.702869
  H      -3.809212     -0.211205      1.331672
  H      -5.257281      0.286462     -0.604923
  H      -4.717819     -0.648515     -2.853174
  H      -2.703527     -2.093839     -3.130529
  H      -1.262253     -2.603985     -1.178699
  H      -6.724633     -6.801775      7.717063
  H      -8.240079     -6.357508      6.918208
  H      -7.079106     -7.427320      6.086493
  H      -5.508903     -5.504373      6.182995
  H      -6.877123     -3.717761      4.960178
  H      -8.412018     -4.896644      3.407624
  H      -8.470316     -6.270871      4.500445
  H     -10.942887     -5.200918      3.841828
  H     -12.835780     -4.115509      5.012863
  H     -12.427683     -2.777128      7.079643
  H     -10.105093     -2.552423      7.955868
  H      -8.216469     -3.668325      6.793039
  H      -2.697173     -6.134686      8.936710
  H      -3.743179     -6.652638      7.579641
  H      -4.438902     -5.814568      8.991647
  H      -4.273106     -4.208000      7.381071
  H      -2.364161     -3.421086      6.336180
  H      -0.354901     -4.862551      6.183757
  H      -1.011588     -5.931589      7.417307
  H       0.038879     -5.655165      9.443835
  H       1.040141     -4.240537     11.218194
  H       1.133464     -1.763441     10.936795
  H       0.222980     -0.729131      8.859085
  H      -0.765916     -2.140681      7.090757
  N      -4.560032     -2.461495      5.146583
  H      -4.878804     -1.686123      4.554012
  H      -3.779682     -2.080536      5.694930
  H      -5.320625     -2.619547      5.816630
  N      -5.864679     -2.777246      2.293379
  N      -6.533318     -1.965534      1.926899
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.274268057650
  N      -3.042311     -3.512127      2.474641
  C      -2.719485     -4.454372      1.391005
  C      -2.481266     -5.852608      1.961033
  N      -3.539282     -6.197711      2.954136
  C      -4.803858     -6.638878      2.308236
  C      -5.962931     -6.483874      3.287828
  N      -5.898100     -5.150840      3.883741
  Mo     -4.026802     -4.363412      4.013214
  N      -2.908587     -5.211954      5.411365
  C      -2.208434     -6.451822      5.013416
  C      -3.053862     -7.172848      3.971080
  H      -2.057837     -7.140390      5.864579
  H      -1.198956     -6.245168      4.603416
  H      -3.940501     -7.594494      4.463933
  H      -2.496230     -7.999976      3.493618
  H      -6.901420     -6.644004      2.723181
  H      -5.923390     -7.293689      4.046968
  H      -4.965542     -5.980327      1.444993
  H      -4.722806     -7.682503      1.947004
  H      -1.817950     -4.173243      0.825110
  H      -3.543412     -4.478155      0.651840
  H      -1.523578     -5.854036      2.501303
  H      -2.431650     -6.624033      1.169471
  C       0.068672     -2.468205      3.694243
  N      -1.388118     -2.438601      3.861065
  C      -2.276191     -2.284319      2.645823
  C      -1.533172     -1.765589      1.405807
  C      -2.438347     -1.449487      0.239511
  C      -3.556742     -0.616163      0.387872
  C      -4.387002     -0.330976     -0.696472
  C      -4.111641     -0.870029     -1.958286
  C      -2.996589     -1.694056     -2.123589
  C      -2.172578     -1.979274     -1.032928
  C      -7.182686     -6.557480      6.731847
  N      -6.523094     -5.343788      6.249594
  C      -6.887376     -4.823601      4.889513
  C      -8.321653     -5.169006      4.462254
  C      -9.439318     -4.485543      5.218988
  C     -10.751920     -4.584006      4.727686
  C     -11.816057     -3.965815      5.382390
  C     -11.588166     -3.229556      6.549864
  C     -10.289302     -3.124000      7.049086
  C      -9.224243     -3.745020      6.389609
  C      -3.542486     -5.923380      8.306292
  N      -3.358060     -4.578698      7.761756
  C      -2.432151     -4.500053      6.620938
  C      -1.000501     -4.875454      7.048501
  C      -0.436715     -3.980978      8.122951
  C       0.059190     -4.531881      9.312596
  C       0.604651     -3.724046     10.311920
  C       0.666209     -2.341587     10.134930
  C       0.181043     -1.779168      8.950348
  C      -0.364177     -2.590376      7.956442
  H       0.441605     -3.204943      2.954787
  H       0.512103     -2.718921      4.668301
  H       0.453796     -1.479369      3.409252
  H      -1.668834     -3.383151      4.150988
  H      -3.001159     -1.494868      2.916938
  H      -0.756544     -2.473332      1.084103
  H      -1.002136     -0.849307      1.711669
  H      -3.786705     -0.185044      1.366298
  H      -5.257033      0.312639     -0.554094
  H      -4.761834     -0.649273     -2.806349
  H      -2.769093     -2.121141     -3.104134
  H      -1.305907     -2.631757     -1.168084
  H      -6.737522     -6.830133      7.699755
  H      -8.250869     -6.366834      6.907523
  H      -7.099311     -7.437441      6.063447
  H      -5.513676     -5.521824      6.184892
  H      -6.865285     -3.720994      4.969746
  H      -8.403428     -4.883873      3.400641
  H      -8.477669     -6.259439      4.490711
  H     -10.937800     -5.152636      3.812294
  H     -12.827098     -4.056230      4.979519
  H     -12.418689     -2.743776      7.064420
  H     -10.099516     -2.555294      7.962076
  H      -8.214824     -3.680851      6.801141
  H      -2.659170     -6.229877      8.888666
  H      -3.730804     -6.697821      7.535153
  H      -4.402081     -5.907376      8.992558
  H      -4.268163     -4.248702      7.426916
  H      -2.399915     -3.429601      6.358689
  H      -0.351277     -4.823770      6.156957
  H      -0.963008     -5.919056      7.394790
  H       0.010209     -5.613207      9.458780
  H       0.980979     -4.176941     11.231389
  H       1.090458     -1.706145     10.912885
  H       0.228341     -0.699606      8.799813
  H      -0.730218     -2.132998      7.032889
  N      -4.546019     -2.469808      5.139955
  H      -4.868777     -1.695165      4.548534
  H      -3.761128     -2.087102      5.681542
  H      -5.301084     -2.625383      5.817270
  N      -5.855547     -2.784207      2.281607
  N      -6.518681     -1.962654      1.924956
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.275182493805
  N      -3.023710     -3.529876      2.483394
  C      -2.704061     -4.470152      1.396541
  C      -2.472568     -5.870825      1.966363
  N      -3.534323     -6.212935      2.957735
  C      -4.799688     -6.648764      2.308229
  C      -5.961296     -6.490477      3.284921
  N      -5.894457     -5.157396      3.882052
  Mo     -4.019611     -4.375117      4.012527
  N      -2.901532     -5.220584      5.412796
  C      -2.209289     -6.468621      5.022564
  C      -3.056130     -7.187946      3.979079
  H      -2.067673     -7.154832      5.877503
  H      -1.196269     -6.271144      4.616318
  H      -3.946450     -7.602700      4.471535
  H      -2.501892     -8.020209      3.506297
  H      -6.898476     -6.648013      2.717190
  H      -5.926630     -7.300678      4.043739
  H      -4.956443     -5.987895      1.445840
  H      -4.722226     -7.692093      1.945561
  H      -1.799540     -4.192411      0.833392
  H      -3.527396     -4.487867      0.656782
  H      -1.516034     -5.875642      2.508616
  H      -2.423497     -6.641617      1.174067
  C       0.079035     -2.462015      3.702065
  N      -1.377323     -2.448465      3.868440
  C      -2.265161     -2.296535      2.656445
  C      -1.535279     -1.769229      1.412027
  C      -2.453964     -1.449994      0.258020
  C      -3.568681     -0.614226      0.419316
  C      -4.410911     -0.322483     -0.652385
  C      -4.149733     -0.855195     -1.914012
  C      -3.037818     -1.680882     -2.092447
  C      -2.203012     -1.974399     -1.014600
  C      -7.191948     -6.571559      6.718992
  N      -6.525845     -5.359390      6.245299
  C      -6.883025     -4.829767      4.888163
  C      -8.318049     -5.164589      4.458090
  C      -9.432313     -4.469737      5.209906
  C     -10.740495     -4.556498      4.721013
  C     -11.800359     -3.928894      5.374200
  C     -11.572699     -3.194185      6.536606
  C     -10.278352     -3.099641      7.032704
  C      -9.217374     -3.730775      6.375577
  C      -3.526607     -5.978272      8.277979
  N      -3.344767     -4.624690      7.773637
  C      -2.433177     -4.516372      6.627695
  C      -0.989733     -4.864268      7.038817
  C      -0.434868     -3.962027      8.109149
  C       0.024882     -4.496079      9.322340
  C       0.554463     -3.676656     10.320370
  C       0.636339     -2.299699     10.117951
  C       0.188164     -1.754293      8.909052
  C      -0.341095     -2.577093      7.916405
  H       0.460134     -3.192744      2.960411
  H       0.525805     -2.710270      4.675561
  H       0.453292     -1.467809      3.419416
  H      -1.653994     -3.392052      4.166652
  H      -2.995604     -1.510966      2.926127
  H      -0.756907     -2.470264      1.079299
  H      -1.006687     -0.851842      1.717069
  H      -3.786371     -0.186434      1.397759
  H      -5.278434      0.322337     -0.499851
  H      -4.808461     -0.628121     -2.751895
  H      -2.820697     -2.101983     -3.072965
  H      -1.338299     -2.627044     -1.159668
  H      -6.746623     -6.854700      7.683265
  H      -8.258276     -6.374724      6.899068
  H      -7.116117     -7.446816      6.043572
  H      -5.517042     -5.539390      6.185159
  H      -6.854051     -3.728328      4.975616
  H      -8.394250     -4.884382      3.395630
  H      -8.481638     -6.252771      4.490796
  H     -10.926013     -5.123924      3.809746
  H     -12.807868     -4.010642      4.973988
  H     -12.400043     -2.700786      7.049535
  H     -10.088879     -2.531855      7.941248
  H      -8.211589     -3.674107      6.783071
  H      -2.633319     -6.306577      8.833974
  H      -3.733921     -6.724785      7.489779
  H      -4.372867     -5.976950      8.976716
  H      -4.258340     -4.280515      7.462657
  H      -2.426078     -3.444081      6.379372
  H      -0.353415     -4.796620      6.142726
  H      -0.928351     -5.905229      7.380819
  H      -0.040201     -5.572933      9.488256
  H       0.902583     -4.116121     11.258779
  H       1.048439     -1.655368     10.894883
  H       0.252671     -0.679342      8.738204
  H      -0.677655     -2.133845      6.972946
  N      -4.531515     -2.480257      5.128575
  H      -4.859731     -1.707605      4.536787
  H      -3.741905     -2.093637      5.662131
  H      -5.279981     -2.633012      5.814835
  N      -5.845072     -2.797509      2.266476
  N      -6.503862     -1.968103      1.918474
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.276115666135
  N      -3.001320     -3.548882      2.489579
  C      -2.687187     -4.486215      1.398834
  C      -2.461378     -5.889058      1.967911
  N      -3.525229     -6.228281      2.958729
  C      -4.792479     -6.658410      2.307675
  C      -5.954772     -6.498313      3.284010
  N      -5.885079     -5.165731      3.883009
  Mo     -4.006922     -4.388459      4.010625
  N      -2.886558     -5.230568      5.410033
  C      -2.201482     -6.484928      5.026140
  C      -3.051978     -7.202979      3.983320
  H      -2.066104     -7.168258      5.884546
  H      -1.186372     -6.294599      4.621676
  H      -3.944677     -7.611283      4.477230
  H      -2.502012     -8.039843      3.513500
  H      -6.891905     -6.653138      2.714874
  H      -5.923154     -7.309600      4.041911
  H      -4.946361     -5.994165      1.447010
  H      -4.718736     -7.701108      1.942211
  H      -1.780635     -4.211988      0.836902
  H      -3.511245     -4.497812      0.659879
  H      -1.505333     -5.897412      2.510798
  H      -2.414229     -6.659219      1.174825
  C       0.096547     -2.450838      3.702133
  N      -1.359624     -2.456311      3.870585
  C      -2.251538     -2.308530      2.662946
  C      -1.538810     -1.770881      1.411897
  C      -2.475595     -1.454816      0.269907
  C      -3.593262     -0.625824      0.443390
  C      -4.453937     -0.334791     -0.615717
  C      -4.206131     -0.858197     -1.876341
  C      -3.090417     -1.675939     -2.067147
  C      -2.238894     -1.971384     -1.002138
  C      -7.198188     -6.592315      6.705070
  N      -6.522532     -5.381041      6.243467
  C      -6.870753     -4.836243      4.890399
  C      -8.309414     -5.150682      4.454501
  C      -9.415398     -4.444113      5.206410
  C     -10.725531     -4.490504      4.697604
  C     -11.777311     -3.849228      5.350805
  C     -11.539208     -3.142525      6.534117
  C     -10.242728     -3.088767      7.050512
  C      -9.190098     -3.732093      6.391994
  C      -3.518138     -6.058599      8.237381
  N      -3.331716     -4.684675      7.783729
  C      -2.432688     -4.535488      6.634797
  C      -0.978152     -4.849891      7.030767
  C      -0.441170     -3.938553      8.102727
  C      -0.020962     -4.454380      9.339471
  C       0.482139     -3.620145     10.341206
  C       0.576178     -2.246633     10.118788
  C       0.168193     -1.719668      8.885690
  C      -0.333698     -2.557448      7.888883
  H       0.485327     -3.175457      2.958310
  H       0.549699     -2.695260      4.674880
  H       0.457736     -1.450222      3.419954
  H      -1.630291     -3.400356      4.179410
  H      -2.988804     -1.528480      2.932390
  H      -0.756318     -2.462723      1.068527
  H      -1.015572     -0.848645      1.713982
  H      -3.799795     -0.204281      1.421162
  H      -5.324724      0.303264     -0.453688
  H      -4.878514     -0.630345     -2.704095
  H      -2.883000     -2.088559     -3.046973
  H      -1.371151     -2.616971     -1.156607
  H      -6.752924     -6.890065      7.664963
  H      -8.262125     -6.387592      6.890278
  H      -7.132438     -7.461169      6.019937
  H      -5.514754     -5.564151      6.188617
  H      -6.828756     -3.735706      4.987967
  H      -8.378817     -4.864899      3.392719
  H      -8.488268     -6.237676      4.481880
  H     -10.919008     -5.035770      3.769886
  H     -12.786721     -3.898248      4.934213
  H     -12.360158     -2.639134      7.047539
  H     -10.045233     -2.543419      7.975684
  H      -8.182425     -3.707105      6.813905
  H      -2.619824     -6.412890      8.771834
  H      -3.745039     -6.774559      7.422032
  H      -4.352444     -6.079616      8.944904
  H      -4.245980     -4.322222      7.492905
  H      -2.454605     -3.459574      6.405688
  H      -0.352978     -4.758622      6.131066
  H      -0.889119     -5.890876      7.363806
  H      -0.096136     -5.528202      9.521110
  H       0.799811     -4.044996     11.298380
  H       0.967217     -1.590756     10.899107
  H       0.243446     -0.647682      8.698951
  H      -0.639253     -2.129498      6.926077
  N      -4.508493     -2.491900      5.118088
  H      -4.844669     -1.722231      4.525921
  H      -3.712548     -2.100391      5.640749
  H      -5.247825     -2.642607      5.815650
  N      -5.830364     -2.812052      2.253893
  N      -6.486210     -1.975418      1.916795
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.277026911783
  N      -2.974967     -3.563841      2.489046
  C      -2.670504     -4.497525      1.392686
  C      -2.450161     -5.903011      1.959296
  N      -3.513403     -6.239721      2.952527
  C      -4.784283     -6.664229      2.303119
  C      -5.945479     -6.502149      3.281569
  N      -5.872333     -5.169827      3.881768
  Mo     -3.988960     -4.398071      4.003700
  N      -2.864964     -5.239077      5.400390
  C      -2.185103     -6.496769      5.019611
  C      -3.041073     -7.213818      3.978648
  H      -2.052444     -7.177686      5.880085
  H      -1.169475     -6.310320      4.615345
  H      -3.934250     -7.617227      4.475922
  H      -2.495407     -8.053950      3.509654
  H      -6.883642     -6.654521      2.712457
  H      -5.915460     -7.314475      4.038809
  H      -4.937284     -5.996819      1.444122
  H      -4.714856     -7.706384      1.935155
  H      -1.762960     -4.227449      0.829844
  H      -3.497509     -4.501526      0.656965
  H      -1.493201     -5.916110      2.500107
  H      -2.407868     -6.671893      1.164702
  C       0.119962     -2.436867      3.692215
  N      -1.334881     -2.461443      3.864841
  C      -2.232470     -2.317619      2.662570
  C      -1.539341     -1.771862      1.401663
  C      -2.497022     -1.460664      0.273575
  C      -3.599812     -0.615324      0.462252
  C      -4.481953     -0.329529     -0.584297
  C      -4.270747     -0.875022     -1.847912
  C      -3.169471     -1.708528     -2.054211
  C      -2.296058     -1.998134     -1.001196
  C      -7.195101     -6.607489      6.690025
  N      -6.510922     -5.397635      6.239724
  C      -6.852645     -4.838609      4.892300
  C      -8.294305     -5.135212      4.457044
  C      -9.388391     -4.413848      5.210414
  C     -10.696403     -4.435267      4.705226
  C     -11.735624     -3.781231      5.364719
  C     -11.486859     -3.086424      6.549905
  C     -10.192410     -3.056872      7.061856
  C      -9.152266     -3.713242      6.397530
  C      -3.519138     -6.166243      8.185560
  N      -3.323505     -4.761402      7.792702
  C      -2.433262     -4.557319      6.641770
  C      -0.968520     -4.834182      7.022988
  C      -0.461757     -3.915637      8.108580
  C      -0.082194     -4.419589      9.365108
  C       0.381391     -3.570308     10.379757
  C       0.473848     -2.193304     10.151217
  C       0.106053     -1.678384      8.898377
  C      -0.354018     -2.531594      7.887563
  H       0.514908     -3.154960      2.945959
  H       0.580725     -2.677129      4.663811
  H       0.467585     -1.430334      3.409462
  H      -1.600203     -3.405100      4.186165
  H      -2.975597     -1.542998      2.932770
  H      -0.756629     -2.457206      1.045628
  H      -1.017303     -0.844913      1.696831
  H      -3.777311     -0.176190      1.442107
  H      -5.341027      0.321140     -0.410398
  H      -4.960260     -0.651842     -2.666233
  H      -2.990396     -2.138251     -3.036957
  H      -1.439878     -2.656131     -1.167876
  H      -6.748176     -6.920311      7.643721
  H      -8.255725     -6.394501      6.882960
  H      -7.141293     -7.469462      5.994961
  H      -5.505198     -5.584284      6.188471
  H      -6.798968     -3.739492      4.999566
  H      -8.361337     -4.850593      3.395864
  H      -8.486161     -6.219851      4.485716
  H     -10.898027     -4.971326      3.776334
  H     -12.743524     -3.811092      4.951761
  H     -12.298090     -2.573311      7.068082
  H      -9.986873     -2.520823      7.988080
  H      -8.145582     -3.707016      6.814479
  H      -2.623302     -6.545524      8.702346
  H      -3.758971     -6.848525      7.334732
  H      -4.346114     -6.221663      8.897867
  H      -4.233841     -4.380775      7.519411
  H      -2.489011     -3.474560      6.439332
  H      -0.352029     -4.706615      6.118112
  H      -0.846102     -5.881895      7.338470
  H      -0.156974     -5.495586      9.551723
  H       0.668917     -3.985321     11.352058
  H       0.832900     -1.525488     10.942580
  H       0.180891     -0.603711      8.706909
  H      -0.630075     -2.113991      6.909569
  N      -4.475626     -2.499608      5.105039
  H      -4.821169     -1.732560      4.514360
  H      -3.671334     -2.103930      5.613918
  H      -5.203272     -2.648269      5.816307
  N      -5.807339     -2.822300      2.242866
  N      -6.459833     -1.976331      1.920600
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.277956686842
  N      -2.949832     -3.582049      2.500880
  C      -2.651852     -4.511236      1.398599
  C      -2.440097     -5.920670      1.961349
  N      -3.506775     -6.255604      2.952813
  C      -4.779231     -6.671881      2.299187
  C      -5.942775     -6.507466      3.274980
  N      -5.866394     -5.176662      3.880034
  Mo     -3.978406     -4.412569      4.004268
  N      -2.855798     -5.255215      5.400752
  C      -2.182488     -6.517969      5.023697
  C      -3.040786     -7.231487      3.981049
  H      -2.055645     -7.197657      5.885779
  H      -1.164900     -6.337171      4.622417
  H      -3.936872     -7.629049      4.477833
  H      -2.498994     -8.075407      3.514380
  H      -6.879543     -6.654640      2.701907
  H      -5.918932     -7.322271      4.029756
  H      -4.926758     -5.999819      1.442396
  H      -4.714555     -7.713125      1.927342
  H      -1.741143     -4.245012      0.838642
  H      -3.479125     -4.505859      0.663045
  H      -1.484010     -5.940075      2.503375
  H      -2.400215     -6.686964      1.164176
  C       0.137284     -2.433200      3.704105
  N      -1.315999     -2.474637      3.876780
  C      -2.214272     -2.331952      2.678649
  C      -1.535940     -1.778346      1.412604
  C      -2.508294     -1.462098      0.300700
  C      -3.588341     -0.591790      0.506626
  C      -4.481996     -0.297828     -0.524510
  C      -4.306137     -0.861819     -1.790398
  C      -3.227906     -1.720659     -2.014347
  C      -2.341955     -2.016943     -0.976140
  C      -7.211264     -6.631027      6.670569
  N      -6.515770     -5.421588      6.235139
  C      -6.845636     -4.845708      4.891142
  C      -8.289521     -5.123769      4.448098
  C      -9.376309     -4.394305      5.202839
  C     -10.682135     -4.387159      4.688267
  C     -11.713462     -3.726674      5.352728
  C     -11.458755     -3.054493      6.552379
  C     -10.166369     -3.053129      7.073324
  C      -9.134135     -3.715433      6.403721
  C      -3.513550     -6.234530      8.153687
  N      -3.315692     -4.825042      7.802013
  C      -2.438016     -4.584479      6.651459
  C      -0.964114     -4.825635      7.018848
  C      -0.471777     -3.890758      8.091699
  C      -0.118954     -4.363787      9.364845
  C       0.324267     -3.491314     10.364001
  C       0.420258     -2.121749     10.103668
  C       0.077647     -1.637592      8.834603
  C      -0.359694     -2.514403      7.838436
  H       0.540361     -3.143612      2.954958
  H       0.601100     -2.671397      4.674760
  H       0.473425     -1.421927      3.424727
  H      -1.577100     -3.416713      4.206657
  H      -2.962850     -1.562140      2.948949
  H      -0.755860     -2.458824      1.042253
  H      -1.012240     -0.852272      1.705570
  H      -3.736893     -0.137093      1.488242
  H      -5.322383      0.373145     -0.336988
  H      -5.004638     -0.632665     -2.596900
  H      -3.076211     -2.164874     -2.999499
  H      -1.503069     -2.693914     -1.156499
  H      -6.766471     -6.960405      7.620402
  H      -8.269970     -6.410332      6.866997
  H      -7.166847     -7.485073      5.964671
  H      -5.510598     -5.611253      6.190403
  H      -6.780052     -3.748090      5.010268
  H      -8.349639     -4.833625      3.387513
  H      -8.494752     -6.206926      4.471027
  H     -10.888202     -4.905782      3.748459
  H     -12.719813     -3.734050      4.932699
  H     -12.263855     -2.536981      7.074822
  H      -9.956324     -2.534996      8.010927
  H      -8.128585     -3.731246      6.826762
  H      -2.618141     -6.620670      8.646317
  H      -3.762303     -6.888292      7.293107
  H      -4.333174     -6.314845      8.867828
  H      -4.224872     -4.438103      7.553513
  H      -2.521570     -3.502118      6.466054
  H      -0.362936     -4.683632      6.110306
  H      -0.813852     -5.866162      7.333842
  H      -0.196396     -5.433762      9.575991
  H       0.593160     -3.881867     11.349076
  H       0.762820     -1.436128     10.883336
  H       0.155457     -0.569088      8.618581
  H      -0.617261     -2.122402      6.847166
  N      -4.454097     -2.513369      5.098228
  H      -4.805217     -1.747570      4.508853
  H      -3.644327     -2.115660      5.597420
  H      -5.173585     -2.659051      5.818887
  N      -5.787543     -2.834612      2.235316
  N      -6.433058     -1.977728      1.925659
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.278587461945
  N      -2.932747     -3.593994      2.518600
  C      -2.640143     -4.518105      1.410061
  C      -2.437153     -5.932369      1.966325
  N      -3.506194     -6.267951      2.956929
  C      -4.780061     -6.678302      2.300123
  C      -5.946385     -6.512083      3.272969
  N      -5.868135     -5.182920      3.883458
  Mo     -3.975347     -4.424418      4.012318
  N      -2.854302     -5.270984      5.407927
  C      -2.184682     -6.535718      5.029794
  C      -3.043518     -7.246316      3.985101
  H      -2.059308     -7.215591      5.891245
  H      -1.166538     -6.356292      4.630287
  H      -3.941009     -7.641475      4.480771
  H      -2.503446     -8.091333      3.518899
  H      -6.881136     -6.654251      2.695380
  H      -5.928758     -7.329565      4.024918
  H      -4.922908     -6.003099      1.444706
  H      -4.718733     -7.718940      1.925856
  H      -1.726257     -4.254727      0.853657
  H      -3.467427     -4.502875      0.674385
  H      -1.481519     -5.959097      2.508767
  H      -2.400274     -6.694647      1.165418
  C       0.144917     -2.432180      3.726097
  N      -1.306353     -2.486470      3.898872
  C      -2.203066     -2.342369      2.704267
  C      -1.532775     -1.780330      1.438566
  C      -2.510381     -1.461810      0.334478
  C      -3.580069     -0.580222      0.545733
  C      -4.476057     -0.279569     -0.477357
  C      -4.312677     -0.848098     -1.740724
  C      -3.244682     -1.718258     -1.970333
  C      -2.356433     -2.021164     -0.939866
  C      -7.230577     -6.652181      6.659197
  N      -6.527059     -5.442350      6.236323
  C      -6.847442     -4.853646      4.894558
  C      -8.292518     -5.118818      4.443926
  C      -9.377566     -4.379467      5.192936
  C     -10.680376     -4.353758      4.670404
  C     -11.709876     -3.683116      5.329662
  C     -11.456337     -3.019373      6.531998
  C     -10.166773     -3.036861      7.061326
  C      -9.136277     -3.709199      6.396948
  C      -3.493477     -6.314530      8.141507
  N      -3.299804     -4.887444      7.829568
  C      -2.441875     -4.611657      6.663715
  C      -0.951278     -4.820597      7.003046
  C      -0.467988     -3.869403      8.057870
  C      -0.118366     -4.313938      9.336253
  C       0.310468     -3.418616     10.312858
  C       0.392356     -2.054537     10.025193
  C       0.050414     -1.598515      8.751803
  C      -0.370550     -2.498294      7.777446
  H       0.554690     -3.133972      2.973027
  H       0.609633     -2.671233      4.694647
  H       0.472412     -1.417822      3.452379
  H      -1.564900     -3.425859      4.233418
  H      -2.956865     -1.577664      2.975422
  H      -0.750493     -2.454729      1.061217
  H      -1.013095     -0.853589      1.733201
  H      -3.717777     -0.121078      1.525389
  H      -5.308292      0.400296     -0.285578
  H      -5.012593     -0.613303     -2.540974
  H      -3.102240     -2.165558     -2.953800
  H      -1.524630     -2.705679     -1.124490
  H      -6.787791     -6.994706      7.605982
  H      -8.288172     -6.426770      6.858061
  H      -7.192371     -7.499152      5.944485
  H      -5.521897     -5.633415      6.196504
  H      -6.774012     -3.757579      5.022852
  H      -8.344223     -4.829870      3.381882
  H      -8.508243     -6.199754      4.467821
  H     -10.885680     -4.865161      3.728079
  H     -12.713975     -3.675477      4.903013
  H     -12.260188     -2.493733      7.050047
  H      -9.957742     -2.525325      8.001051
  H      -8.132821     -3.738400      6.824932
  H      -2.584693     -6.730461      8.599638
  H      -3.768788     -6.940304      7.259284
  H      -4.294370     -6.409058      8.881464
  H      -4.213915     -4.482137      7.609521
  H      -2.556559     -3.528194      6.493822
  H      -0.370958     -4.663097      6.080669
  H      -0.765821     -5.856279      7.318475
  H      -0.184663     -5.379333      9.568475
  H       0.579326     -3.786499     11.301663
  H       0.723246     -1.351604     10.787496
  H       0.116560     -0.534580      8.515071
  H      -0.630006     -2.129701      6.782517
  N      -4.443621     -2.525990      5.103099
  H      -4.800110     -1.760460      4.517190
  H      -3.629673     -2.127615      5.594105
  H      -5.155592     -2.670694      5.830865
  N      -5.771437     -2.844228      2.243075
  N      -6.409229     -1.976219      1.945694
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.279448116366
  N      -2.914646     -3.597068      2.531111
  C      -2.629743     -4.515173      1.415016
  C      -2.433876     -5.934274      1.964482
  N      -3.503722     -6.271198      2.955726
  C      -4.779614     -6.675199      2.296850
  C      -5.948315     -6.507732      3.267816
  N      -5.868760     -5.180385      3.884483
  Mo     -3.970351     -4.426209      4.014890
  N      -2.846350     -5.275814      5.409788
  C      -2.182541     -6.543016      5.028363
  C      -3.043587     -7.251253      3.983467
  H      -2.055973     -7.222911      5.888622
  H      -1.164605     -6.364853      4.628105
  H      -3.941960     -7.643132      4.479755
  H      -2.505927     -8.097812      3.517657
  H      -6.881350     -6.644818      2.686039
  H      -5.936121     -7.328228      4.016774
  H      -4.918607     -5.996258      1.443249
  H      -4.722107     -7.715255      1.920029
  H      -1.713598     -4.254354      0.860875
  H      -3.458634     -4.489804      0.681117
  H      -1.477882     -5.967839      2.505696
  H      -2.401005     -6.692181      1.159537
  C       0.154974     -2.413040      3.733629
  N      -1.293357     -2.485040      3.910977
  C      -2.192111     -2.342069      2.722177
  C      -1.534105     -1.771952      1.453501
  C      -2.521128     -1.466093      0.352073
  C      -3.586211     -0.577999      0.559780
  C      -4.496427     -0.293657     -0.461578
  C      -4.351400     -0.884675     -1.720069
  C      -3.286182     -1.759490     -1.946381
  C      -2.383386     -2.045727     -0.917142
  C      -7.245746     -6.667846      6.643396
  N      -6.536259     -5.457180      6.234560
  C      -6.847416     -4.854231      4.896640
  C      -8.292873     -5.106852      4.437751
  C      -9.376568     -4.361733      5.183596
  C     -10.674746     -4.314631      4.648008
  C     -11.703122     -3.638799      5.304678
  C     -11.452993     -2.992243      6.518391
  C     -10.167790     -3.031419      7.061317
  C      -9.138348     -3.707874      6.398712
  C      -3.454854     -6.349716      8.133489
  N      -3.266362     -4.931417      7.848379
  C      -2.434065     -4.632988      6.670340
  C      -0.931763     -4.819888      6.983500
  C      -0.456954     -3.866995      8.043436
  C      -0.134796     -4.304726      9.332020
  C       0.270868     -3.399363     10.312558
  C       0.355060     -2.032041     10.018879
  C       0.038609     -1.582530      8.736000
  C      -0.358155     -2.492318      7.757286
  H       0.571308     -3.104678      2.975813
  H       0.624159     -2.651480      4.698434
  H       0.469953     -1.394781      3.464207
  H      -1.547151     -3.421097      4.254449
  H      -2.952733     -1.584012      2.993913
  H      -0.744840     -2.438063      1.074001
  H      -1.025007     -0.837041      1.744932
  H      -3.710671     -0.102889      1.535112
  H      -5.326393      0.389974     -0.272531
  H      -5.063801     -0.663773     -2.519520
  H      -3.157744     -2.223978     -2.926516
  H      -1.554796     -2.734607     -1.099578
  H      -6.803185     -7.024890      7.584895
  H      -8.301327     -6.438465      6.847500
  H      -7.214812     -7.506166      5.918241
  H      -5.531593     -5.647928      6.198960
  H      -6.766864     -3.760199      5.035957
  H      -8.336217     -4.816938      3.375004
  H      -8.518396     -6.185694      4.459430
  H     -10.877529     -4.812090      3.696508
  H     -12.703744     -3.613378      4.866894
  H     -12.256130     -2.462885      7.034612
  H      -9.961463     -2.533227      8.010013
  H      -8.138119     -3.752026      6.835467
  H      -2.525987     -6.790833      8.540889
  H      -3.768590     -6.946432      7.254424
  H      -4.227996     -6.442364      8.902576
  H      -4.188503     -4.511805      7.667445
  H      -2.572547     -3.553090      6.517368
  H      -0.371932     -4.639352      6.047992
  H      -0.717089     -5.858585      7.285017
  H      -0.204605     -5.371800      9.569400
  H       0.519219     -3.761272     11.309504
  H       0.666882     -1.321325     10.784963
  H       0.105451     -0.515804      8.495356
  H      -0.603060     -2.129496      6.756036
  N      -4.427235     -2.528813      5.099611
  H      -4.792498     -1.764893      4.517533
  H      -3.606984     -2.127772      5.577444
  H      -5.127737     -2.671223      5.838581
  N      -5.751370     -2.846945      2.247290
  N      -6.381470     -1.966395      1.967882
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.280565814988
  N      -2.903938     -3.601759      2.531628
  C      -2.628588     -4.517266      1.411531
  C      -2.438771     -5.939001      1.958313
  N      -3.506279     -6.274051      2.953878
  C      -4.785501     -6.675924      2.299445
  C      -5.953207     -6.503809      3.271057
  N      -5.871495     -5.175578      3.887178
  Mo     -3.969850     -4.424771      4.013093
  N      -2.840975     -5.275181      5.407146
  C      -2.175199     -6.539472      5.020608
  C      -3.040986     -7.252072      3.981261
  H      -2.037284     -7.218216      5.879240
  H      -1.161218     -6.354845      4.613003
  H      -3.936650     -7.643353      4.483131
  H      -2.504332     -8.098558      3.514493
  H      -6.886750     -6.639303      2.689114
  H      -5.942814     -7.323091      4.021166
  H      -4.924689     -5.997215      1.445406
  H      -4.731978     -7.716705      1.925026
  H      -1.711530     -4.260398      0.856578
  H      -3.460262     -4.485264      0.680643
  H      -1.480882     -5.977864      2.495465
  H      -2.412682     -6.695419      1.151672
  C       0.165193     -2.397605      3.716791
  N      -1.279134     -2.481013      3.904500
  C      -2.184221     -2.343383      2.721951
  C      -1.532831     -1.769956      1.450364
  C      -2.519703     -1.467745      0.349600
  C      -3.573319     -0.564365      0.551706
  C      -4.478225     -0.278437     -0.469484
  C      -4.339757     -0.883526     -1.722397
  C      -3.286597     -1.774145     -1.943465
  C      -2.388899     -2.061720     -0.914253
  C      -7.257851     -6.670940      6.635209
  N      -6.544557     -5.461113      6.234310
  C      -6.849294     -4.849702      4.899984
  C      -8.294274     -5.095377      4.437783
  C      -9.374580     -4.355795      5.191943
  C     -10.668552     -4.296717      4.652000
  C     -11.693803     -3.631498      5.321006
  C     -11.444574     -3.008708      6.552527
  C     -10.163337     -3.059048      7.099444
  C      -9.136919     -3.723874      6.423888
  C      -3.450523     -6.396834      8.117821
  N      -3.264219     -4.973970      7.856980
  C      -2.438834     -4.646202      6.676508
  C      -0.934118     -4.820038      6.984545
  C      -0.462248     -3.861138      8.042557
  C      -0.194696     -4.276787      9.353114
  C       0.194553     -3.358859     10.331890
  C       0.320549     -2.002653     10.012212
  C       0.058130     -1.574796      8.707155
  C      -0.326582     -2.495958      7.732081
  H       0.581756     -3.084979      2.956562
  H       0.642352     -2.631713      4.678059
  H       0.470068     -1.378070      3.444121
  H      -1.528643     -3.412114      4.260559
  H      -2.948888     -1.590182      2.995460
  H      -0.740835     -2.432480      1.070124
  H      -1.029130     -0.832275      1.741105
  H      -3.691960     -0.077705      1.522755
  H      -5.298564      0.417785     -0.284608
  H      -5.047171     -0.660345     -2.521626
  H      -3.162695     -2.248996     -2.919521
  H      -1.568406     -2.761351     -1.092877
  H      -6.814241     -7.037607      7.571707
  H      -8.311438     -6.437600      6.844369
  H      -7.233432     -7.503675      5.903980
  H      -5.541055     -5.652661      6.201929
  H      -6.765063     -3.757163      5.045152
  H      -8.336582     -4.799348      3.376892
  H      -8.523559     -6.173616      4.451833
  H     -10.870655     -4.776161      3.687286
  H     -12.691234     -3.596504      4.879737
  H     -12.245330     -2.488661      7.079191
  H      -9.957644     -2.578999      8.061878
  H      -8.139459     -3.775693      6.863222
  H      -2.514550     -6.852080      8.493075
  H      -3.778027     -6.973251      7.232175
  H      -4.211207     -6.503899      8.908274
  H      -4.183440     -4.552263      7.696267
  H      -2.593811     -3.565902      6.540866
  H      -0.383540     -4.637544      6.047910
  H      -0.712055     -5.855255      7.284264
  H      -0.298299     -5.334508      9.611016
  H       0.398132     -3.702979     11.348008
  H       0.621266     -1.282951     10.776429
  H       0.157201     -0.517147      8.446528
  H      -0.534586     -2.150339      6.713903
  N      -4.411322     -2.524395      5.091736
  H      -4.789556     -1.765586      4.510366
  H      -3.582652     -2.116654      5.550657
  H      -5.096835     -2.663078      5.846285
  N      -5.730607     -2.848951      2.252667
  N      -6.355250     -1.959900      1.988798
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.281440293976
  N      -2.895206     -3.603667      2.538287
  C      -2.622444     -4.513610      1.415520
  C      -2.432014     -5.937164      1.958076
  N      -3.496195     -6.277003      2.956016
  C      -4.776230     -6.683332      2.305953
  C      -5.943418     -6.515923      3.279996
  N      -5.866388     -5.186778      3.896616
  Mo     -3.966705     -4.428535      4.018764
  N      -2.829159     -5.278747      5.410297
  C      -2.155851     -6.536060      5.016452
  C      -3.021624     -7.253219      3.980822
  H      -2.003862     -7.215536      5.871392
  H      -1.146922     -6.339412      4.602670
  H      -3.912677     -7.649764      4.486093
  H      -2.481791     -8.095380      3.511125
  H      -6.877561     -6.654256      2.698883
  H      -5.929340     -7.335597      4.030138
  H      -4.920050     -6.003973      1.452653
  H      -4.720168     -7.724363      1.931954
  H      -1.705713     -4.255127      0.860813
  H      -3.455642     -4.479713      0.686190
  H      -1.472610     -5.977393      2.492136
  H      -2.408574     -6.690905      1.148934
  C       0.173682     -2.366260      3.704833
  N      -1.268903     -2.467283      3.905462
  C      -2.185242     -2.337535      2.730361
  C      -1.545189     -1.751508      1.458272
  C      -2.540393     -1.456384      0.362454
  C      -3.590024     -0.548741      0.565492
  C      -4.507534     -0.274948     -0.452187
  C      -4.386229     -0.896609     -1.702730
  C      -3.336090     -1.789782     -1.924895
  C      -2.424932     -2.064522     -0.898993
  C      -7.262779     -6.694442      6.631866
  N      -6.549244     -5.482158      6.240510
  C      -6.846815     -4.864241      4.908544
  C      -8.290706     -5.104797      4.441388
  C      -9.371231     -4.351716      5.184382
  C     -10.663101     -4.271143      4.630846
  C     -11.689695     -3.583588      5.281278
  C     -11.444048     -2.959741      6.507245
  C     -10.164453     -3.033896      7.070263
  C      -9.136390     -3.720777      6.413267
  C      -3.458366     -6.438371      8.105444
  N      -3.261388     -5.013676      7.865066
  C      -2.437452     -4.664021      6.689722
  C      -0.934535     -4.833362      7.000491
  C      -0.456759     -3.867875      8.049448
  C      -0.234126     -4.257383      9.377705
  C       0.155667     -3.328772     10.344933
  C       0.330038     -1.989595      9.994440
  C       0.111051     -1.587104      8.671757
  C      -0.278195     -2.517714      7.709617
  H       0.592536     -3.048757      2.941288
  H       0.663745     -2.594472      4.661545
  H       0.463620     -1.341859      3.428412
  H      -1.508980     -3.397253      4.272250
  H      -2.958765     -1.594947      3.009199
  H      -0.747707     -2.404357      1.073556
  H      -1.050683     -0.809500      1.750107
  H      -3.697119     -0.051194      1.534612
  H      -5.325187      0.423672     -0.266500
  H      -5.104730     -0.683964     -2.499572
  H      -3.225450     -2.277362     -2.899677
  H      -1.607857     -2.767244     -1.079261
  H      -6.819615     -7.068604      7.565444
  H      -8.316303     -6.462506      6.842791
  H      -7.238776     -7.521101      5.894108
  H      -5.545257     -5.671055      6.212621
  H      -6.761409     -3.772692      5.057616
  H      -8.325155     -4.817284      3.377806
  H      -8.527352     -6.180244      4.463237
  H     -10.862713     -4.748796      3.668184
  H     -12.685692     -3.529600      4.827290
  H     -12.246145     -2.420601      7.017920
  H      -9.961478     -2.552930      8.028353
  H      -8.139972     -3.787422      6.861973
  H      -2.522022     -6.907255      8.460023
  H      -3.801616     -6.997759      7.215612
  H      -4.210957     -6.552745      8.904987
  H      -4.176214     -4.586468      7.716601
  H      -2.599873     -3.583770      6.569761
  H      -0.390548     -4.659166      6.066179
  H      -0.715061     -5.862167      7.303810
  H      -0.375115     -5.301740      9.659434
  H       0.323061     -3.652179     11.376349
  H       0.633574     -1.262812     10.749040
  H       0.247407     -0.543192      8.387243
  H      -0.456270     -2.192230      6.677532
  N      -4.401780     -2.527739      5.096301
  H      -4.798364     -1.776952      4.515335
  H      -3.566932     -2.109184      5.535891
  H      -5.069996     -2.667769      5.865951
  N      -5.711432     -2.861394      2.272246
  N      -6.337918     -1.969819      2.023200
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.282806639334
  N      -2.881041     -3.613020      2.536709
  C      -2.614989     -4.521789      1.414953
  C      -2.432842     -5.947194      1.956118
  N      -3.494975     -6.283995      2.957420
  C      -4.777390     -6.693174      2.314847
  C      -5.942129     -6.521229      3.290267
  N      -5.864266     -5.189342      3.902261
  Mo     -3.966552     -4.430312      4.017802
  N      -2.823993     -5.279112      5.408222
  C      -2.144513     -6.532289      5.010013
  C      -3.012520     -7.256669      3.982061
  H      -1.977571     -7.210780      5.863006
  H      -1.140997     -6.325933      4.586749
  H      -3.899906     -7.654835      4.492967
  H      -2.471773     -8.097643      3.511240
  H      -6.877425     -6.661153      2.711149
  H      -5.927080     -7.337209      4.043719
  H      -4.923751     -6.017042      1.459554
  H      -4.723249     -7.736020      1.946531
  H      -1.696505     -4.267752      0.860519
  H      -3.448745     -4.483845      0.685997
  H      -1.471766     -5.993232      2.486644
  H      -2.416699     -6.700454      1.146158
  C       0.189436     -2.346686      3.674970
  N      -1.249025     -2.458752      3.891822
  C      -2.177295     -2.340944      2.725300
  C      -1.542375     -1.747792      1.453911
  C      -2.538712     -1.452938      0.362729
  C      -3.583947     -0.540663      0.566491
  C      -4.504393     -0.268418     -0.446490
  C      -4.389866     -0.895106     -1.693034
  C      -3.343715     -1.791793     -1.916135
  C      -2.430015     -2.065733     -0.894963
  C      -7.282006     -6.702400      6.625271
  N      -6.561836     -5.490108      6.242885
  C      -6.847835     -4.865078      4.912194
  C      -8.291682     -5.097617      4.440009
  C      -9.367819     -4.345285      5.188550
  C     -10.656800     -4.249803      4.631580
  C     -11.679822     -3.563808      5.288194
  C     -11.433514     -2.955791      6.522973
  C     -10.156591     -3.044641      7.089607
  C      -9.131742     -3.730679      6.427558
  C      -3.473725     -6.477305      8.091434
  N      -3.267971     -5.054194      7.865630
  C      -2.443263     -4.678176      6.696242
  C      -0.935429     -4.834744      7.004465
  C      -0.465150     -3.862297      8.054132
  C      -0.262440     -4.241125      9.387749
  C       0.119620     -3.303920     10.350647
  C       0.305707     -1.967312      9.990603
  C       0.103032     -1.574352      8.663461
  C      -0.280315     -2.512829      7.705922
  H       0.606816     -3.029405      2.910476
  H       0.692990     -2.564988      4.627524
  H       0.466507     -1.321314      3.389105
  H      -1.480322     -3.382638      4.274265
  H      -2.956753     -1.606709      3.009654
  H      -0.742590     -2.394822      1.065989
  H      -1.053899     -0.805937      1.749093
  H      -3.686426     -0.040357      1.533116
  H      -5.318742      0.433210     -0.259987
  H      -5.110267     -0.683052     -2.486218
  H      -3.237830     -2.282505     -2.888200
  H      -1.615986     -2.771082     -1.076675
  H      -6.842184     -7.085633      7.557829
  H      -8.336056     -6.467229      6.834933
  H      -7.260377     -7.524282      5.882395
  H      -5.558000     -5.680936      6.222718
  H      -6.757941     -3.773853      5.063801
  H      -8.324110     -4.804899      3.377644
  H      -8.534388     -6.172653      4.456326
  H     -10.856975     -4.714964      3.662141
  H     -12.673452     -3.498600      4.831999
  H     -12.232847     -2.417716      7.038335
  H      -9.952959     -2.576019      8.054755
  H      -8.136560     -3.808963      6.880078
  H      -2.540686     -6.950838      8.426789
  H      -3.827896     -7.023705      7.203456
  H      -4.220444     -6.598647      8.896635
  H      -4.178730     -4.624418      7.730305
  H      -2.619710     -3.596650      6.591918
  H      -0.396051     -4.648426      6.063636
  H      -0.703091     -5.868650      7.302167
  H      -0.411907     -5.283575      9.676909
  H       0.272441     -3.618965     11.386597
  H       0.604714     -1.234909     10.741767
  H       0.246911     -0.532544      8.371676
  H      -0.452233     -2.194887      6.671039
  N      -4.387527     -2.518297      5.087486
  H      -4.802874     -1.779001      4.502542
  H      -3.544599     -2.088297      5.500834
  H      -5.035814     -2.652158      5.875832
  N      -5.683646     -2.870500      2.280602
  N      -6.306371     -1.973689      2.044952
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.283616320630
  N      -2.862990     -3.614012      2.538973
  C      -2.599921     -4.522843      1.421327
  C      -2.429084     -5.949206      1.963396
  N      -3.494773     -6.280341      2.962143
  C      -4.776939     -6.688638      2.320706
  C      -5.940889     -6.513555      3.294746
  N      -5.862700     -5.180512      3.904965
  Mo     -3.967770     -4.422086      4.018192
  N      -2.825703     -5.269592      5.409851
  C      -2.146247     -6.524124      5.011850
  C      -3.014249     -7.251522      3.988598
  H      -1.973264     -7.201815      5.864826
  H      -1.144697     -6.315240      4.583624
  H      -3.902365     -7.647205      4.500761
  H      -2.474485     -8.094383      3.519445
  H      -6.875934     -6.653357      2.715500
  H      -5.927154     -7.327566      4.049516
  H      -4.921799     -6.013275      1.464786
  H      -4.724800     -7.732498      1.954972
  H      -1.677510     -4.274493      0.870227
  H      -3.430963     -4.481473      0.689056
  H      -1.469117     -6.001603      2.495534
  H      -2.416785     -6.702820      1.153496
  C       0.205949     -2.319622      3.657099
  N      -1.229214     -2.440620      3.884832
  C      -2.166505     -2.336468      2.724031
  C      -1.534597     -1.739716      1.452912
  C      -2.531740     -1.449646      0.362740
  C      -3.568875     -0.526774      0.562769
  C      -4.493975     -0.263231     -0.448918
  C      -4.392736     -0.909506     -1.690651
  C      -3.354460     -1.815983     -1.910378
  C      -2.435603     -2.080842     -0.890423
  C      -7.308437     -6.702701      6.613148
  N      -6.581450     -5.489687      6.241536
  C      -6.852656     -4.857104      4.911368
  C      -8.294436     -5.086401      4.429910
  C      -9.371029     -4.348767      5.189048
  C     -10.654295     -4.250447      4.628920
  C     -11.677859     -3.585360      5.300857
  C     -11.437816     -3.000717      6.553611
  C     -10.166585     -3.090639      7.122004
  C      -9.140926     -3.756522      6.445717
  C      -3.513417     -6.487209      8.062674
  N      -3.271036     -5.065129      7.861157
  C      -2.448352     -4.684431      6.705230
  C      -0.945560     -4.846377      7.022412
  C      -0.464740     -3.869377      8.062181
  C      -0.289920     -4.226943      9.405529
  C       0.101448     -3.282766     10.355355
  C       0.324446     -1.960822      9.972476
  C       0.147007     -1.587896      8.635880
  C      -0.246934     -2.532898      7.691597
  H       0.623878     -3.004649      2.893637
  H       0.719352     -2.526962      4.607525
  H       0.472085     -1.294299      3.362340
  H      -1.451609     -3.358899      4.282042
  H      -2.951895     -1.609362      3.011296
  H      -0.732791     -2.383747      1.064856
  H      -1.051693     -0.796241      1.748975
  H      -3.661970     -0.012634      1.526245
  H      -5.301837      0.446606     -0.265011
  H      -5.117048     -0.704507     -2.482978
  H      -3.258771     -2.321685     -2.879197
  H      -1.628184     -2.794543     -1.070282
  H      -6.874127     -7.094110      7.546168
  H      -8.363891     -6.465930      6.818835
  H      -7.285951     -7.519614      5.865014
  H      -5.577043     -5.682333      6.232558
  H      -6.760774     -3.766196      5.067353
  H      -8.325788     -4.781382      3.370631
  H      -8.536867     -6.162893      4.431509
  H     -10.849503     -4.698729      3.646804
  H     -12.666793     -3.519408      4.843712
  H     -12.237531     -2.479728      7.081679
  H      -9.967806     -2.639872      8.101233
  H      -8.149586     -3.837666      6.901845
  H      -2.581834     -6.998559      8.379093
  H      -3.911564     -7.010287      7.168820
  H      -4.244493     -6.594256      8.871142
  H      -4.180107     -4.605734      7.736395
  H      -2.619605     -3.606456      6.613364
  H      -0.409691     -4.670461      6.085842
  H      -0.723358     -5.874944      7.323489
  H      -0.467996     -5.257957      9.712743
  H       0.232718     -3.581178     11.399586
  H       0.631792     -1.224037     10.713648
  H       0.318210     -0.557530      8.326324
  H      -0.404265     -2.230345      6.649597
  N      -4.376627     -2.495073      5.077689
  H      -4.806486     -1.767421      4.486168
  H      -3.527833     -2.055941      5.467942
  H      -5.008662     -2.620332      5.880852
  N      -5.656242     -2.866745      2.284941
  N      -6.273401     -1.965011      2.059321
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.285161748324
  N      -2.849280     -3.620768      2.538594
  C      -2.592503     -4.529299      1.424536
  C      -2.432215     -5.957486      1.964254
  N      -3.495660     -6.283719      2.965919
  C      -4.779146     -6.697671      2.333486
  C      -5.938282     -6.519820      3.311925
  N      -5.858366     -5.184721      3.918543
  Mo     -3.969186     -4.421621      4.020100
  N      -2.821609     -5.265203      5.406915
  C      -2.141033     -6.520762      5.009982
  C      -3.008837     -7.252556      3.992172
  H      -1.960526     -7.196933      5.863426
  H      -1.142451     -6.308349      4.575535
  H      -3.894493     -7.650240      4.507232
  H      -2.468318     -8.094471      3.521805
  H      -6.876044     -6.661472      2.737882
  H      -5.920584     -7.330837      4.069514
  H      -4.928687     -6.026608      1.475284
  H      -4.726890     -7.743509      1.973239
  H      -1.668244     -4.286577      0.873108
  H      -3.422542     -4.485046      0.690859
  H      -1.470586     -6.017783      2.492514
  H      -2.429237     -6.710392      1.153647
  C       0.223247     -2.295279      3.623094
  N      -1.208181     -2.423558      3.867128
  C      -2.160846     -2.338016      2.715179
  C      -1.534744     -1.735180      1.443268
  C      -2.536570     -1.448140      0.356948
  C      -3.568610     -0.519738      0.558878
  C      -4.495916     -0.255443     -0.446892
  C      -4.402377     -0.906309     -1.684818
  C      -3.370558     -1.819150     -1.907031
  C      -2.449679     -2.085199     -0.892969
  C      -7.319731     -6.713772      6.615126
  N      -6.592041     -5.498765      6.251792
  C      -6.853213     -4.861888      4.923415
  C      -8.294403     -5.085721      4.436424
  C      -9.371996     -4.347010      5.194050
  C     -10.651366     -4.235759      4.624474
  C     -11.677191     -3.566306      5.290398
  C     -11.443092     -2.990532      6.546888
  C     -10.175901     -3.092616      7.124212
  C      -9.148084     -3.762340      6.453685
  C      -3.506084     -6.518145      8.040998
  N      -3.268286     -5.092171      7.856131
  C      -2.447555     -4.692868      6.706970
  C      -0.943944     -4.852527      7.027655
  C      -0.466945     -3.872132      8.067070
  C      -0.314791     -4.223287      9.414783
  C       0.068210     -3.273585     10.366428
  C       0.304159     -1.952109      9.981441
  C       0.148747     -1.585597      8.639967
  C      -0.236119     -2.536794      7.693188
  H       0.638170     -2.985341      2.861647
  H       0.749900     -2.489401      4.569829
  H       0.478254     -1.271427      3.315435
  H      -1.418067     -3.335722      4.281819
  H      -2.950836     -1.619954      3.010483
  H      -0.732322     -2.376040      1.052144
  H      -1.055340     -0.789944      1.740401
  H      -3.654138     -0.000656      1.520611
  H      -5.298127      0.460238     -0.260965
  H      -5.126612     -0.698938     -2.472333
  H      -3.279911     -2.327146     -2.873216
  H      -1.645472     -2.801910     -1.075293
  H      -6.888237     -7.108215      7.547371
  H      -8.376007     -6.479932      6.818361
  H      -7.293031     -7.526946      5.863371
  H      -5.588210     -5.692611      6.252739
  H      -6.758153     -3.770899      5.081321
  H      -8.322527     -4.777907      3.377836
  H      -8.540010     -6.161714      4.434586
  H     -10.841788     -4.676450      3.638819
  H     -12.663067     -3.489252      4.824689
  H     -12.244190     -2.465552      7.070127
  H      -9.981872     -2.647270      8.105399
  H      -8.160274     -3.851534      6.915477
  H      -2.573512     -7.031269      8.333388
  H      -3.909083     -7.029890      7.143638
  H      -4.229904     -6.641865      8.862458
  H      -4.177448     -4.631040      7.749770
  H      -2.623503     -3.615527      6.626931
  H      -0.406906     -4.675910      6.092590
  H      -0.723857     -5.880304      7.329040
  H      -0.505181     -5.253077      9.724545
  H       0.180869     -3.566609     11.414512
  H       0.604006     -1.210627     10.725168
  H       0.328977     -0.555322      8.328513
  H      -0.381534     -2.238819      6.648023
  N      -4.365266     -2.473149      5.073844
  H      -4.810627     -1.759187      4.477927
  H      -3.509860     -2.028762      5.437356
  H      -4.979052     -2.588822      5.890781
  N      -5.630966     -2.872041      2.298942
  N      -6.246734     -1.965286      2.088415
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.286179417504
  N      -2.830512     -3.611492      2.546252
  C      -2.579544     -4.515265      1.430865
  C      -2.433421     -5.948032      1.959400
  N      -3.495814     -6.271943      2.961513
  C      -4.780122     -6.688876      2.334654
  C      -5.935646     -6.511121      3.317421
  N      -5.852637     -5.177480      3.927775
  Mo     -3.969368     -4.411380      4.022823
  N      -2.821521     -5.260927      5.400672
  C      -2.137911     -6.513867      5.000733
  C      -3.003742     -7.243654      3.982870
  H      -1.953180     -7.192140      5.851037
  H      -1.141406     -6.296261      4.565189
  H      -3.887395     -7.646453      4.496571
  H      -2.461838     -8.081776      3.507609
  H      -6.875412     -6.650167      2.747246
  H      -5.915982     -7.323323      4.073626
  H      -4.932891     -6.019263      1.475972
  H      -4.727352     -7.735428      1.975336
  H      -1.652314     -4.277257      0.881826
  H      -3.406830     -4.462660      0.693892
  H      -1.470748     -6.021399      2.484208
  H      -2.440751     -6.695449      1.144349
  C       0.243004     -2.268028      3.606530
  N      -1.185765     -2.399603      3.861481
  C      -2.149279     -2.328028      2.717269
  C      -1.523332     -1.719531      1.448866
  C      -2.525913     -1.448401      0.355057
  C      -3.576711     -0.538788      0.546033
  C      -4.519008     -0.301464     -0.463284
  C      -4.419575     -0.957775     -1.694202
  C      -3.366045     -1.848354     -1.905963
  C      -2.431152     -2.088776     -0.888141
  C      -7.337294     -6.723693      6.605768
  N      -6.604486     -5.505039      6.257097
  C      -6.853403     -4.857179      4.930959
  C      -8.295171     -5.070038      4.435763
  C      -9.371263     -4.334833      5.198718
  C     -10.647480     -4.217839      4.629633
  C     -11.672125     -3.557381      5.303787
  C     -11.439881     -2.995262      6.567621
  C     -10.176044     -3.100501      7.142453
  C      -9.149508     -3.762324      6.464677
  C      -3.516278     -6.562917      8.023977
  N      -3.284239     -5.132091      7.854090
  C      -2.457523     -4.706311      6.713749
  C      -0.952492     -4.862559      7.039389
  C      -0.484505     -3.874934      8.073584
  C      -0.349164     -4.212810      9.424639
  C       0.037753     -3.258615     10.366774
  C       0.294499     -1.946862      9.969034
  C       0.154338     -1.593548      8.624218
  C      -0.235382     -2.548872      7.687237
  H       0.656517     -2.961357      2.846809
  H       0.776436     -2.453391      4.549810
  H       0.491561     -1.246740      3.291100
  H      -1.384215     -3.306165      4.287766
  H      -2.942493     -1.618001      3.020544
  H      -0.713133     -2.356000      1.064635
  H      -1.055986     -0.767019      1.747133
  H      -3.669913     -0.019863      1.502925
  H      -5.338853      0.396526     -0.285339
  H      -5.157993     -0.773581     -2.484989
  H      -3.270758     -2.360035     -2.866935
  H      -1.612361     -2.790197     -1.062762
  H      -6.912092     -7.125344      7.538965
  H      -8.395383     -6.491976      6.803000
  H      -7.305770     -7.531215      5.847615
  H      -5.600833     -5.700311      6.269585
  H      -6.751414     -3.766407      5.095945
  H      -8.320947     -4.750577      3.379936
  H      -8.545464     -6.146118      4.422753
  H     -10.836270     -4.649223      3.639479
  H     -12.655016     -3.478580      4.840527
  H     -12.239561     -2.478065      7.098198
  H      -9.983415     -2.665497      8.129522
  H      -8.164407     -3.856563      6.926610
  H      -2.584504     -7.073469      8.300183
  H      -3.919558     -7.066667      7.123757
  H      -4.235787     -6.703023      8.851202
  H      -4.189822     -4.677437      7.759581
  H      -2.640163     -3.624267      6.649596
  H      -0.410716     -4.684201      6.104370
  H      -0.731478     -5.890385      7.344461
  H      -0.554052     -5.235608      9.743840
  H       0.138170     -3.541019     11.417267
  H       0.599944     -1.203277     10.704799
  H       0.351749     -0.571670      8.302257
  H      -0.366572     -2.263083      6.638082
  N      -4.352567     -2.444619      5.079432
  H      -4.811294     -1.741378      4.484518
  H      -3.489159     -2.000850      5.417631
  H      -4.949325     -2.552901      5.907243
  N      -5.606625     -2.859011      2.317451
  N      -6.216748     -1.941278      2.127704
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.287333645305
  N      -2.818827     -3.621367      2.544288
  C      -2.574519     -4.524889      1.430805
  C      -2.436103     -5.958223      1.956347
  N      -3.493792     -6.276793      2.963486
  C      -4.778946     -6.702994      2.347485
  C      -5.928600     -6.524572      3.336815
  N      -5.843958     -5.189586      3.943249
  Mo     -3.968322     -4.414278      4.022403
  N      -2.813544     -5.258384      5.394249
  C      -2.126576     -6.509352      4.996197
  C      -2.992470     -7.244508      3.983964
  H      -1.935651     -7.185022      5.847024
  H      -1.133289     -6.287561      4.556294
  H      -3.872083     -7.651821      4.501153
  H      -2.448634     -8.079880      3.506584
  H      -6.872350     -6.666639      2.774197
  H      -5.901902     -7.334069      4.095849
  H      -4.939452     -6.039715      1.485558
  H      -4.723280     -7.751314      1.994115
  H      -1.647118     -4.291736      0.879134
  H      -3.401296     -4.470878      0.693098
  H      -1.471027     -6.038678      2.475495
  H      -2.453787     -6.704760      1.140769
  C       0.259295     -2.247134      3.571977
  N      -1.167291     -2.383111      3.838778
  C      -2.145492     -2.332810      2.701660
  C      -1.528307     -1.721570      1.428360
  C      -2.537509     -1.448058      0.342213
  C      -3.577019     -0.526697      0.540187
  C      -4.519607     -0.280155     -0.460036
  C      -4.433319     -0.940607     -1.688999
  C      -3.392551     -1.844368     -1.908117
  C      -2.456623     -2.092944     -0.899302
  C      -7.337233     -6.737519      6.611067
  N      -6.605815     -5.517719      6.268214
  C      -6.848373     -4.868416      4.944706
  C      -8.289210     -5.074589      4.446744
  C      -9.365039     -4.331831      5.204656
  C     -10.637923     -4.200614      4.627604
  C     -11.663273     -3.530835      5.293524
  C     -11.434959     -2.973018      6.557056
  C     -10.174311     -3.093006      7.140520
  C      -9.147166     -3.764316      6.471009
  C      -3.521271     -6.591052      8.002842
  N      -3.287716     -5.160797      7.846664
  C      -2.459019     -4.715259      6.715891
  C      -0.952771     -4.863146      7.046245
  C      -0.502754     -3.871596      8.087064
  C      -0.388607     -4.206749      9.441157
  C      -0.007390     -3.251368     10.386515
  C       0.264977     -1.942084      9.989317
  C       0.145101     -1.591717      8.641448
  C      -0.239689     -2.547829      7.701511
  H       0.670467     -2.948644      2.817852
  H       0.803008     -2.417627      4.513811
  H       0.499078     -1.227571      3.241765
  H      -1.353032     -3.285149      4.282231
  H      -2.940272     -1.628760      3.012050
  H      -0.722588     -2.358935      1.037348
  H      -1.057407     -0.770270      1.725329
  H      -3.659213     -0.004337      1.496170
  H      -5.329160      0.428387     -0.276376
  H      -5.171756     -0.749336     -2.472717
  H      -3.307453     -2.359507     -2.868006
  H      -1.645977     -2.802777     -1.079853
  H      -6.914653     -7.138714      7.544096
  H      -8.396192     -6.509059      6.805372
  H      -7.300059     -7.543123      5.851709
  H      -5.603004     -5.713588      6.289102
  H      -6.742246     -3.778443      5.110445
  H      -8.311406     -4.755543      3.391437
  H      -8.543368     -6.149021      4.434139
  H     -10.823403     -4.628261      3.637353
  H     -12.643201     -3.441660      4.824307
  H     -12.234808     -2.448333      7.081435
  H      -9.984543     -2.662214      8.128367
  H      -8.164763     -3.871326      6.940636
  H      -2.585398     -7.111426      8.258108
  H      -3.945627     -7.083959      7.105206
  H      -4.226097     -6.732469      8.835627
  H      -4.192653     -4.705253      7.765336
  H      -2.648827     -3.631276      6.663644
  H      -0.404391     -4.672687      6.111169
  H      -0.725813     -5.895879      7.348425
  H      -0.604221     -5.228151      9.759400
  H       0.077221     -3.531407     11.439003
  H       0.568370     -1.198717     10.727023
  H       0.356121     -0.572501      8.319203
  H      -0.351310     -2.266374      6.648564
  N      -4.337877     -2.425508      5.076917
  H      -4.816019     -1.737528      4.480864
  H      -3.464766     -1.976494      5.382653
  H      -4.911714     -2.525385      5.921086
  N      -5.587206     -2.866857      2.328602
  N      -6.197480     -1.944190      2.156997
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.288297410342
  N      -2.804732     -3.627937      2.551858
  C      -2.563225     -4.531888      1.439836
  C      -2.436184     -5.966280      1.962312
  N      -3.493398     -6.277434      2.971181
  C      -4.777288     -6.711234      2.359538
  C      -5.925537     -6.530728      3.349683
  N      -5.838996     -5.196392      3.955688
  Mo     -3.970292     -4.411124      4.025126
  N      -2.812159     -5.248884      5.395867
  C      -2.127507     -6.502598      5.003308
  C      -2.991146     -7.241690      3.993594
  H      -1.938814     -7.175401      5.857140
  H      -1.133343     -6.283740      4.563451
  H      -3.870407     -7.650399      4.510977
  H      -2.445616     -8.076807      3.517900
  H      -6.870411     -6.672708      2.789970
  H      -5.897225     -7.338745      4.109760
  H      -4.940360     -6.055291      1.493332
  H      -4.718731     -7.761099      2.012618
  H      -1.633284     -4.304270      0.889625
  H      -3.386133     -4.474610      0.697956
  H      -1.470595     -6.055921      2.479122
  H      -2.462441     -6.711088      1.145511
  C       0.271558     -2.226930      3.550245
  N      -1.152793     -2.363881      3.827455
  C      -2.140435     -2.334718      2.695233
  C      -1.531038     -1.724945      1.416593
  C      -2.547307     -1.450862      0.337888
  C      -3.578972     -0.522329      0.542290
  C      -4.529177     -0.274092     -0.448659
  C      -4.458304     -0.940377     -1.674888
  C      -3.425214     -1.851448     -1.900702
  C      -2.481779     -2.101550     -0.901039
  C      -7.348739     -6.743394      6.609237
  N      -6.616228     -5.523327      6.273839
  C      -6.849851     -4.872739      4.951931
  C      -8.288445     -5.072092      4.446303
  C      -9.369003     -4.327683      5.198461
  C     -10.636072     -4.188396      4.609388
  C     -11.667357     -3.517317      5.266168
  C     -11.450924     -2.965906      6.533287
  C     -10.196013     -3.093843      7.129053
  C      -9.163039     -3.766489      6.468452
  C      -3.505614     -6.616079      7.982427
  N      -3.280381     -5.180310      7.847360
  C      -2.457586     -4.717157      6.720598
  C      -0.948724     -4.861706      7.049614
  C      -0.502095     -3.870232      8.090932
  C      -0.394307     -4.209454      9.445342
  C      -0.010311     -3.256784     10.392708
  C       0.268923     -1.945263      9.998606
  C       0.154852     -1.590858      8.650726
  C      -0.230360     -2.545365      7.708101
  H       0.680036     -2.937064      2.801922
  H       0.823011     -2.383661      4.490019
  H       0.504971     -1.210443      3.206550
  H      -1.327518     -3.259709      4.287215
  H      -2.936166     -1.633109      3.008354
  H      -0.730095     -2.364899      1.020455
  H      -1.056825     -0.774914      1.710673
  H      -3.648431      0.004180      1.496780
  H      -5.332032      0.440689     -0.259869
  H      -5.202056     -0.747465     -2.451334
  H      -3.351759     -2.370719     -2.858712
  H      -1.676878     -2.816658     -1.086875
  H      -6.932628     -7.145013      7.544627
  H      -8.409937     -6.516680      6.796667
  H      -7.304263     -7.547218      5.849280
  H      -5.613023     -5.718843      6.303579
  H      -6.738828     -3.784465      5.119455
  H      -8.303676     -4.749839      3.392177
  H      -8.544694     -6.145067      4.429957
  H     -10.812166     -4.610033      3.615393
  H     -12.642653     -3.420692      4.785848
  H     -12.255208     -2.439068      7.050126
  H     -10.015258     -2.666889      8.118774
  H      -8.186497     -3.878151      6.947104
  H      -2.568555     -7.134253      8.217741
  H      -3.934159     -7.097404      7.081594
  H      -4.201982     -6.778259      8.821192
  H      -4.188864     -4.719661      7.785968
  H      -2.653091     -3.634971      6.678153
  H      -0.400048     -4.671456      6.115583
  H      -0.720054     -5.892055      7.354589
  H      -0.615528     -5.232307      9.761069
  H       0.070274     -3.540240     11.444736
  H       0.574328     -1.203692     10.738064
  H       0.371326     -0.569494      8.330669
  H      -0.334336     -2.261991      6.654946
  N      -4.327834     -2.401783      5.075179
  H      -4.825757     -1.727771      4.480030
  H      -3.444664     -1.948952      5.346232
  H      -4.877382     -2.491819      5.936083
  N      -5.567915     -2.867602      2.337603
  N      -6.170652     -1.936579      2.184962
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.289141483847
  N      -2.791289     -3.632694      2.560834
  C      -2.552852     -4.534509      1.446574
  C      -2.436427     -5.970822      1.962127
  N      -3.491985     -6.275976      2.973381
  C      -4.774769     -6.718212      2.365858
  C      -5.921063     -6.538985      3.359131
  N      -5.831771     -5.207234      3.968423
  Mo     -3.971417     -4.408427      4.026559
  N      -2.808169     -5.243195      5.394585
  C      -2.123908     -6.496024      5.003271
  C      -2.986729     -7.237742      3.995565
  H      -1.935764     -7.167467      5.857719
  H      -1.129724     -6.277590      4.563124
  H      -3.864308     -7.650010      4.513460
  H      -2.438980     -8.071080      3.519053
  H      -6.867946     -6.679384      2.803209
  H      -5.889590     -7.348298      4.118047
  H      -4.942646     -6.068602      1.495898
  H      -4.711464     -7.769224      2.023184
  H      -1.620957     -4.310783      0.897933
  H      -3.372099     -4.471751      0.700783
  H      -1.469765     -6.071734      2.474976
  H      -2.472870     -6.711484      1.142351
  C       0.283656     -2.210667      3.524028
  N      -1.138648     -2.344554      3.814363
  C      -2.135973     -2.335719      2.687801
  C      -1.534534     -1.730018      1.403023
  C      -2.558324     -1.456965      0.330573
  C      -3.582807     -0.521475      0.539593
  C      -4.539037     -0.271736     -0.443544
  C      -4.481771     -0.944168     -1.666562
  C      -3.456904     -1.863561     -1.897245
  C      -2.507507     -2.115060     -0.905415
  C      -7.357688     -6.759723      6.602982
  N      -6.623227     -5.537141      6.279530
  C      -6.848102     -4.880088      4.960024
  C      -8.285460     -5.066950      4.446501
  C      -9.365388     -4.319186      5.196786
  C     -10.628678     -4.168243      4.600655
  C     -11.660781     -3.494377      5.253402
  C     -11.448983     -2.950300      6.523276
  C     -10.197730     -3.088638      7.125278
  C      -9.164147     -3.765123      6.469239
  C      -3.494829     -6.638338      7.963285
  N      -3.277662     -5.200911      7.844494
  C      -2.456226     -4.722609      6.724648
  C      -0.946861     -4.863361      7.057820
  C      -0.509710     -3.869387      8.099023
  C      -0.410151     -4.208382      9.453706
  C      -0.033315     -3.253586     10.403614
  C       0.246374     -1.940048     10.012619
  C       0.141642     -1.586776      8.664417
  C      -0.234520     -2.544132      7.718909
  H       0.686213     -2.929901      2.781661
  H       0.842589     -2.355573      4.460460
  H       0.513798     -1.198644      3.166188
  H      -1.302495     -3.233960      4.289736
  H      -2.931022     -1.634754      3.003144
  H      -0.738578     -2.373909      1.003179
  H      -1.056140     -0.780712      1.692479
  H      -3.639664      0.011248      1.492278
  H      -5.334740      0.450191     -0.251190
  H      -5.228728     -0.748856     -2.436699
  H      -3.393734     -2.387123     -2.852897
  H      -1.708345     -2.835792     -1.095008
  H      -6.948845     -7.165527      7.540545
  H      -8.420627     -6.534757      6.783077
  H      -7.306707     -7.560399      5.839557
  H      -5.620172     -5.730383      6.315930
  H      -6.728099     -3.793235      5.132563
  H      -8.293943     -4.736079      3.395091
  H      -8.547807     -6.138755      4.422547
  H     -10.800902     -4.583902      3.604288
  H     -12.632971     -3.389326      4.767526
  H     -12.253568     -2.420699      7.036913
  H     -10.020187     -2.666847      8.116539
  H      -8.191564     -3.885115      6.953913
  H      -2.551879     -7.161014      8.177210
  H      -3.936980     -7.108981      7.060790
  H      -4.177938     -6.813420      8.809382
  H      -4.186366     -4.744483      7.796361
  H      -2.655221     -3.641302      6.690714
  H      -0.391976     -4.673953      6.127498
  H      -0.718225     -5.891397      7.368892
  H      -0.633198     -5.231800      9.767294
  H       0.040444     -3.536575     11.455483
  H       0.545210     -1.195782     10.754619
  H       0.358497     -0.563745      8.346486
  H      -0.328459     -2.262020      6.665782
  N      -4.313711     -2.382825      5.079352
  H      -4.829266     -1.717793      4.491727
  H      -3.420149     -1.933414      5.315170
  H      -4.838299     -2.463175      5.955626
  N      -5.549555     -2.866724      2.351683
  N      -6.142934     -1.924153      2.226099
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.289908710078
  N      -2.780661     -3.634500      2.571761
  C      -2.544286     -4.534220      1.455032
  C      -2.437477     -5.971724      1.964691
  N      -3.492538     -6.270682      2.977230
  C      -4.772761     -6.722085      2.370990
  C      -5.918399     -6.546444      3.366048
  N      -5.826629     -5.219022      3.981148
  Mo     -3.976079     -4.402546      4.029009
  N      -2.809465     -5.233787      5.395919
  C      -2.124973     -6.484815      5.006019
  C      -2.986031     -7.229777      3.999939
  H      -1.938124     -7.154594      5.861593
  H      -1.130389     -6.266863      4.566403
  H      -3.862109     -7.645741      4.517642
  H      -2.435489     -8.061289      3.523327
  H      -6.866605     -6.684107      2.812435
  H      -5.884783     -7.358821      4.121867
  H      -4.944939     -6.078673      1.497285
  H      -4.702608     -7.773793      2.031633
  H      -1.610443     -4.313707      0.908527
  H      -3.359508     -4.466179      0.705183
  H      -1.470390     -6.083758      2.474506
  H      -2.483133     -6.708315      1.142167
  C       0.291036     -2.194325      3.505087
  N      -1.131101     -2.320880      3.805406
  C      -2.135310     -2.333122      2.681351
  C      -1.540546     -1.733876      1.390028
  C      -2.569292     -1.462419      0.320724
  C      -3.587727     -0.520118      0.530355
  C      -4.546329     -0.268925     -0.448694
  C      -4.498772     -0.948382     -1.668086
  C      -3.480567     -1.875478     -1.899391
  C      -2.527911     -2.127232     -0.911773
  C      -7.365005     -6.772632      6.598508
  N      -6.631648     -5.547995      6.284408
  C      -6.848895     -4.887521      4.966679
  C      -8.283664     -5.064564      4.445113
  C      -9.365640     -4.314812      5.191645
  C     -10.624580     -4.157222      4.587556
  C     -11.660012     -3.482825      5.234676
  C     -11.455886     -2.944615      6.507871
  C     -10.208762     -3.088813      7.117472
  C      -9.172208     -3.766021      6.466669
  C      -3.484749     -6.653717      7.953922
  N      -3.277009     -5.213727      7.847396
  C      -2.459279     -4.722298      6.730357
  C      -0.948547     -4.862880      7.063841
  C      -0.515070     -3.869053      8.106398
  C      -0.420789     -4.210144      9.461906
  C      -0.038940     -3.259380     10.414022
  C       0.251878     -1.948272     10.025047
  C       0.153261     -1.593316      8.676375
  C      -0.227924     -2.546537      7.728929
  H       0.687511     -2.927189      2.772173
  H       0.855899     -2.325021      4.440789
  H       0.520879     -1.187842      3.130261
  H      -1.285766     -3.204939      4.295335
  H      -2.929768     -1.630611      2.995239
  H      -0.748739     -2.382699      0.989280
  H      -1.058101     -0.784481      1.673885
  H      -3.636840      0.017616      1.480420
  H      -5.336708      0.459012     -0.256101
  H      -5.248517     -0.753064     -2.435030
  H      -3.425599     -2.405230     -2.852359
  H      -1.733691     -2.853575     -1.101680
  H      -6.963005     -7.178519      7.538131
  H      -8.429394     -6.550681      6.771025
  H      -7.305504     -7.571811      5.834295
  H      -5.628049     -5.737438      6.326167
  H      -6.721528     -3.802476      5.142847
  H      -8.284548     -4.726344      3.396457
  H      -8.549335     -6.134809      4.414137
  H     -10.790608     -4.568479      3.588809
  H     -12.628659     -3.373248      4.742507
  H     -12.262800     -2.414915      7.017791
  H     -10.036639     -2.671906      8.111665
  H      -8.204285     -3.891392      6.958905
  H      -2.538895     -7.170613      8.156192
  H      -3.930805     -7.119374      7.052269
  H      -4.160270     -6.844822      8.801783
  H      -4.190051     -4.754148      7.811673
  H      -2.661003     -3.640921      6.703932
  H      -0.388959     -4.674833      6.133981
  H      -0.719599     -5.891014      7.380394
  H      -0.651491     -5.231995      9.773414
  H       0.031244     -3.544332     11.465885
  H       0.556273     -1.207467     10.767983
  H       0.380254     -0.572709      8.359579
  H      -0.310272     -2.264149      6.674741
  N      -4.305605     -2.363199      5.087640
  H      -4.842640     -1.707243      4.509334
  H      -3.402608     -1.915413      5.285327
  H      -4.800901     -2.435650      5.980505
  N      -5.535266     -2.863103      2.369422
  N      -6.117837     -1.910241      2.271703
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.290572910685
  N      -2.768999     -3.637050      2.582687
  C      -2.535400     -4.535026      1.462351
  C      -2.437610     -5.973656      1.967171
  N      -3.493254     -6.266035      2.980641
  C      -4.770925     -6.724485      2.373503
  C      -5.916693     -6.551967      3.369069
  N      -5.820889     -5.229839      3.991402
  Mo     -3.979206     -4.396525      4.030433
  N      -2.811099     -5.225264      5.398520
  C      -2.126919     -6.475081      5.009828
  C      -2.987536     -7.222806      4.005087
  H      -1.941835     -7.143465      5.866698
  H      -1.131589     -6.258723      4.570410
  H      -3.862922     -7.640487      4.523050
  H      -2.435354     -8.054006      3.529230
  H      -6.865681     -6.684960      2.816260
  H      -5.883176     -7.368347      4.120538
  H      -4.945764     -6.086141      1.496733
  H      -4.694606     -7.776326      2.036378
  H      -1.599614     -4.317680      0.918044
  H      -3.347267     -4.460661      0.709464
  H      -1.470440     -6.096352      2.474416
  H      -2.491616     -6.706555      1.142139
  C       0.298349     -2.190797      3.483609
  N      -1.122512     -2.303293      3.796635
  C      -2.131527     -2.332501      2.675132
  C      -1.542982     -1.742291      1.376719
  C      -2.577404     -1.468644      0.314038
  C      -3.588877     -0.520349      0.528798
  C      -4.553844     -0.267237     -0.443503
  C      -4.519681     -0.951406     -1.660886
  C      -3.508045     -1.884450     -1.897100
  C      -2.548804     -2.137687     -0.916435
  C      -7.372007     -6.781695      6.593126
  N      -6.638049     -5.556066      6.287285
  C      -6.848159     -4.892788      4.970684
  C      -8.279900     -5.061641      4.441287
  C      -9.364673     -4.312011      5.184793
  C     -10.619831     -4.150414      4.573552
  C     -11.658979     -3.476730      5.215699
  C     -11.462468     -2.942689      6.491604
  C     -10.218863     -3.090608      7.108378
  C      -9.178876     -3.767808      6.462559
  C      -3.478147     -6.659203      7.945857
  N      -3.279446     -5.218006      7.848524
  C      -2.462533     -4.718631      6.735232
  C      -0.952001     -4.859520      7.071260
  C      -0.519286     -3.865709      8.113132
  C      -0.417942     -4.214039      9.466576
  C      -0.031464     -3.268164     10.420964
  C       0.255017     -1.953255     10.037772
  C       0.149580     -1.590976      8.691837
  C      -0.233784     -2.540460      7.741614
  H       0.683315     -2.937271      2.759148
  H       0.868498     -2.311508      4.416565
  H       0.532779     -1.192424      3.092577
  H      -1.271352     -3.181102      4.299261
  H      -2.923831     -1.626006      2.985678
  H      -0.757646     -2.396759      0.972979
  H      -1.053511     -0.795243      1.654132
  H      -3.627451      0.020403      1.477381
  H      -5.338653      0.465593     -0.247367
  H      -5.274548     -0.754963     -2.422418
  H      -3.463791     -2.418015     -2.848463
  H      -1.760284     -2.869183     -1.109868
  H      -6.977954     -7.188176      7.535736
  H      -8.438121     -6.560487      6.756899
  H      -7.305198     -7.580257      5.829060
  H      -5.633439     -5.741866      6.332496
  H      -6.714048     -3.809719      5.150145
  H      -8.273138     -4.716099      3.395449
  H      -8.547496     -6.130441      4.402720
  H     -10.779841     -4.557686      3.572092
  H     -12.624736     -3.363725      4.717161
  H     -12.272300     -2.412902      6.997414
  H     -10.052108     -2.676489      8.104066
  H      -8.215298     -3.895742      6.960952
  H      -2.526573     -7.174998      8.136647
  H      -3.931326     -7.120317      7.043431
  H      -4.144400     -6.861942      8.797426
  H      -4.192677     -4.763828      7.817559
  H      -2.664912     -3.638044      6.712048
  H      -0.387026     -4.678679      6.144007
  H      -0.725859     -5.884793      7.396672
  H      -0.645144     -5.238985      9.773368
  H       0.045764     -3.559779     11.470196
  H       0.562645     -1.215463     10.782176
  H       0.373537     -0.567072      8.379444
  H      -0.316417     -2.252367      6.689721
  N      -4.294597     -2.347904      5.096760
  H      -4.852761     -1.698532      4.530243
  H      -3.383428     -1.900819      5.256806
  H      -4.759041     -2.413272      6.006649
  N      -5.521465     -2.857235      2.386581
  N      -6.090661     -1.893209      2.318531
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.291210871285
  N      -2.758096     -3.637626      2.592796
  C      -2.529551     -4.531830      1.466545
  C      -2.439241     -5.972011      1.964647
  N      -3.495023     -6.259707      2.979340
  C      -4.770221     -6.724692      2.370732
  C      -5.915153     -6.559241      3.368875
  N      -5.813694     -5.244838      4.002946
  Mo     -3.982272     -4.391854      4.031611
  N      -2.813257     -5.221290      5.399121
  C      -2.128229     -6.467802      5.008297
  C      -2.989170     -7.216112      4.003959
  H      -1.943037     -7.136257      5.864455
  H      -1.133147     -6.250831      4.568546
  H      -3.863130     -7.636404      4.522041
  H      -2.435892     -8.046008      3.526700
  H      -6.865581     -6.685010      2.817190
  H      -5.881564     -7.383084      4.112613
  H      -4.949207     -6.088621      1.492784
  H      -4.686240     -7.775677      2.032216
  H      -1.592917     -4.316613      0.923254
  H      -3.339819     -4.449811      0.712673
  H      -1.471709     -6.105859      2.468301
  H      -2.502160     -6.700117      1.136453
  C       0.305269     -2.191430      3.463550
  N      -1.115894     -2.286104      3.789573
  C      -2.129381     -2.329925      2.669885
  C      -1.547019     -1.747440      1.365485
  C      -2.586448     -1.474755      0.305876
  C      -3.594003     -0.522028      0.521253
  C      -4.560981     -0.267687     -0.448940
  C      -4.533232     -0.955505     -1.664138
  C      -3.526806     -1.894248     -1.900639
  C      -2.565429     -2.148686     -0.922569
  C      -7.377196     -6.800254      6.586068
  N      -6.641323     -5.571670      6.292398
  C      -6.844182     -4.901574      4.977254
  C      -8.274341     -5.057655      4.439519
  C      -9.358991     -4.306226      5.181212
  C     -10.612019     -4.140142      4.566229
  C     -11.651733     -3.466297      5.206636
  C     -11.458051     -2.934621      6.483589
  C     -10.216414     -3.085953      7.103325
  C      -9.176150     -3.765352      6.460393
  C      -3.470168     -6.662896      7.946174
  N      -3.281980     -5.220797      7.851365
  C      -2.466651     -4.717328      6.738373
  C      -0.956541     -4.859402      7.076971
  C      -0.526238     -3.864337      8.117681
  C      -0.423881     -4.213959      9.470699
  C      -0.041178     -3.268719     10.428195
  C       0.241263     -1.952833     10.048848
  C       0.137043     -1.589990      8.703296
  C      -0.242060     -2.539121      7.750095
  H       0.676794     -2.953560      2.748918
  H       0.881143     -2.302560      4.394162
  H       0.546743     -1.201373      3.054562
  H      -1.260283     -3.159827      4.302165
  H      -2.920052     -1.619970      2.976901
  H      -0.765326     -2.405978      0.960943
  H      -1.052925     -0.800535      1.636229
  H      -3.625913      0.023829      1.468141
  H      -5.341193      0.470227     -0.253050
  H      -5.288231     -0.756716     -2.423570
  H      -3.487728     -2.430494     -2.850056
  H      -1.780552     -2.884163     -1.115902
  H      -6.992414     -7.210860      7.532043
  H      -8.444955     -6.579777      6.739786
  H      -7.303459     -7.596728      5.819501
  H      -5.636039     -5.753418      6.339409
  H      -6.700020     -3.820245      5.162354
  H      -8.259509     -4.701926      3.396988
  H      -8.547365     -6.125231      4.390864
  H     -10.769794     -4.545673      3.564190
  H     -12.615787     -3.351754      4.706525
  H     -12.268354     -2.404598      6.987952
  H     -10.051409     -2.674225      8.099972
  H      -8.215216     -3.898461      6.963501
  H      -2.513605     -7.170557      8.132704
  H      -3.924512     -7.125639      7.045941
  H      -4.130038     -6.875880      8.799294
  H      -4.198714     -4.767051      7.823287
  H      -2.668422     -3.636421      6.716491
  H      -0.383991     -4.686341      6.152334
  H      -0.734164     -5.882575      7.412583
  H      -0.649185     -5.239144      9.774639
  H       0.036157     -3.561529     11.476887
  H       0.545160     -1.214373     10.795657
  H       0.358386     -0.565346      8.393857
  H      -0.319945     -2.249478      6.698901
  N      -4.283282     -2.338799      5.114643
  H      -4.861683     -1.692863      4.565029
  H      -3.366405     -1.893935      5.238755
  H      -4.715526     -2.400172      6.039681
  N      -5.509382     -2.850032      2.414753
  N      -6.066009     -1.875433      2.383140
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.291744817035
  N      -2.747452     -3.639509      2.601983
  C      -2.521715     -4.532224      1.471995
  C      -2.437809     -5.972725      1.967898
  N      -3.496966     -6.254754      2.981406
  C      -4.768493     -6.724349      2.367544
  C      -5.915335     -6.564652      3.364285
  N      -5.809142     -5.257659      4.009418
  Mo     -3.986513     -4.385313      4.031162
  N      -2.820586     -5.213750      5.403806
  C      -2.135484     -6.459478      5.014086
  C      -2.995589     -7.209508      4.009971
  H      -1.951892     -7.126954      5.871538
  H      -1.139688     -6.244163      4.574557
  H      -3.870400     -7.628571      4.527626
  H      -2.441944     -8.040751      3.535304
  H      -6.865413     -6.682795      2.810636
  H      -5.885034     -7.395321      4.100422
  H      -4.947786     -6.089566      1.488826
  H      -4.677643     -7.774166      2.027752
  H      -1.583484     -4.319247      0.931015
  H      -3.329944     -4.444292      0.716964
  H      -1.471262     -6.114494      2.471235
  H      -2.505570     -6.698476      1.138171
  C       0.308281     -2.198843      3.450156
  N      -1.113177     -2.271525      3.785523
  C      -2.127170     -2.327663      2.665638
  C      -1.549585     -1.753665      1.355979
  C      -2.592933     -1.479176      0.300827
  C      -3.595678     -0.522231      0.518938
  C      -4.565012     -0.264513     -0.447948
  C      -4.546054     -0.955240     -1.662028
  C      -3.544727     -1.898863     -1.900831
  C      -2.579557     -2.155053     -0.926380
  C      -7.379055     -6.808650      6.580767
  N      -6.645869     -5.579209      6.293014
  C      -6.843346     -4.908485      4.978120
  C      -8.270386     -5.058027      4.434126
  C      -9.357203     -4.307625      5.173825
  C     -10.607954     -4.140327      4.554577
  C     -11.649936     -3.466943      5.191850
  C     -11.460699     -2.937922      6.471243
  C     -10.221153     -3.090103      7.094975
  C      -9.179120     -3.768269      6.453941
  C      -3.468139     -6.654563      7.948233
  N      -3.288714     -5.211471      7.855019
  C      -2.474287     -4.708456      6.741925
  C      -0.964705     -4.853498      7.080673
  C      -0.530266     -3.859717      8.121044
  C      -0.416226     -4.217232      9.471645
  C      -0.025689     -3.278789     10.431001
  C       0.252611     -1.960772     10.056574
  C       0.137318     -1.589827      8.713960
  C      -0.249038     -2.532597      7.758801
  H       0.665888     -2.978527      2.746956
  H       0.887591     -2.300444      4.379952
  H       0.559567     -1.218885      3.023212
  H      -1.257155     -3.140952      4.306455
  H      -2.917256     -1.613545      2.965930
  H      -0.771599     -2.415672      0.949914
  H      -1.050746     -0.807778      1.620619
  H      -3.621860      0.024602      1.464482
  H      -5.341515      0.476840     -0.250560
  H      -5.305295     -0.756054     -2.418859
  H      -3.514059     -2.439103     -2.849313
  H      -1.799204     -2.894899     -1.121020
  H      -7.001100     -7.216986      7.528952
  H      -8.447791     -6.590205      6.726482
  H      -7.297121     -7.605406      5.815781
  H      -5.639382     -5.756253      6.340497
  H      -6.694060     -3.829226      5.165903
  H      -8.248725     -4.696128      3.394452
  H      -8.544372     -6.124119      4.378090
  H     -10.762192     -4.543668      3.550667
  H     -12.612609     -3.350522      4.687410
  H     -12.272817     -2.408661      6.973468
  H     -10.059227     -2.680094      8.093107
  H      -8.221232     -3.901536      6.959921
  H      -2.506308     -7.156123      8.131846
  H      -3.923533     -7.118758      7.048056
  H      -4.122115     -6.875822      8.803159
  H      -4.206319     -4.762637      7.824402
  H      -2.674609     -3.628409      6.718143
  H      -0.388161     -4.688939      6.155921
  H      -0.745568     -5.875861      7.424265
  H      -0.637419     -5.244805      9.771202
  H       0.061980     -3.578784     11.476968
  H       0.563056     -1.227286     10.804005
  H       0.356300     -0.563557      8.408402
  H      -0.330891     -2.235982      6.709736
  N      -4.276213     -2.331443      5.127207
  H      -4.875250     -1.688819      4.593842
  H      -3.357116     -1.882976      5.218247
  H      -4.676018     -2.389598      6.066706
  N      -5.500321     -2.841187      2.437399
  N      -6.042642     -1.857633      2.440066
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.292148497998
  N      -2.737915     -3.640626      2.606617
  C      -2.515662     -4.531455      1.472633
  C      -2.435840     -5.972033      1.967524
  N      -3.498821     -6.250541      2.979272
  C      -4.767516     -6.722160      2.360100
  C      -5.915876     -6.568671      3.356099
  N      -5.803951     -5.269439      4.013099
  Mo     -3.989265     -4.379806      4.028211
  N      -2.828274     -5.209664      5.406730
  C      -2.140484     -6.452736      5.014981
  C      -3.000911     -7.204258      4.011436
  H      -1.953945     -7.120058      5.871687
  H      -1.145959     -6.235365      4.573484
  H      -3.876352     -7.621253      4.529373
  H      -2.447760     -8.036862      3.538595
  H      -6.865773     -6.677772      2.800221
  H      -5.889826     -7.407011      4.083640
  H      -4.946604     -6.085323      1.482677
  H      -4.671129     -7.770170      2.016716
  H      -1.576584     -4.319706      0.933040
  H      -3.323744     -4.438388      0.718313
  H      -1.470369     -6.118985      2.471266
  H      -2.506196     -6.696480      1.136993
  C       0.310698     -2.218533      3.433413
  N      -1.110043     -2.263415      3.780356
  C      -2.124214     -2.325643      2.661272
  C      -1.549647     -1.757544      1.348634
  C      -2.596154     -1.482174      0.296813
  C      -3.596557     -0.523778      0.517652
  C      -4.568211     -0.264191     -0.447724
  C      -4.553367     -0.954234     -1.662327
  C      -3.554532     -1.899694     -1.903218
  C      -2.587643     -2.158407     -0.930710
  C      -7.380617     -6.819479      6.573116
  N      -6.646545     -5.588123      6.293377
  C      -6.839456     -4.914714      4.978433
  C      -8.264754     -5.057819      4.429588
  C      -9.351859     -4.309406      5.170083
  C     -10.602706     -4.143488      4.551409
  C     -11.644459     -3.471322      5.189678
  C     -11.455074     -2.940124      6.467770
  C     -10.215334     -3.092133      7.091955
  C      -9.173587     -3.771454      6.451563
  C      -3.472900     -6.638171      7.960310
  N      -3.299459     -5.195406      7.858698
  C      -2.482158     -4.698849      6.742938
  C      -0.974583     -4.850347      7.084288
  C      -0.533746     -3.857021      8.122243
  C      -0.408183     -4.219560      9.470319
  C      -0.017601     -3.284079     10.432469
  C       0.249793     -1.962961     10.063246
  C       0.124621     -1.587049      8.723050
  C      -0.261735     -2.527220      7.764978
  H       0.649225     -3.013949      2.739795
  H       0.893045     -2.316449      4.360408
  H       0.575951     -1.250385      2.990283
  H      -1.257551     -3.129545      4.305288
  H      -2.914048     -1.609331      2.956855
  H      -0.773566     -2.420584      0.941164
  H      -1.048054     -0.812114      1.608706
  H      -3.618223      0.024285      1.463277
  H      -5.341907      0.479537     -0.249039
  H      -5.312359     -0.751540     -2.417633
  H      -3.526530     -2.438406     -2.851572
  H      -1.809247     -2.899686     -1.126653
  H      -7.010883     -7.230215      7.524623
  H      -8.450804     -6.600936      6.709397
  H      -7.292887     -7.615584      5.807459
  H      -5.639430     -5.761754      6.339396
  H      -6.685011     -3.836648      5.169078
  H      -8.238083     -4.688914      3.392539
  H      -8.540600     -6.123078      4.365295
  H     -10.757273     -4.548117      3.548351
  H     -12.607134     -3.358159      4.687632
  H     -12.267352     -2.411511      6.970202
  H     -10.053043     -2.682443      8.090483
  H      -8.215733     -3.907697      6.960442
  H      -2.507539     -7.131061      8.149516
  H      -3.924103     -7.110143      7.063177
  H      -4.125556     -6.859966      8.815188
  H      -4.218753     -4.749094      7.818772
  H      -2.677912     -3.617459      6.714503
  H      -0.392638     -4.699267      6.161566
  H      -0.764168     -5.870537      7.437421
  H      -0.622097     -5.249397      9.765943
  H       0.078261     -3.588454     11.476434
  H       0.558930     -1.230616     10.812894
  H       0.334939     -0.557975      8.421945
  H      -0.351392     -2.224382      6.718547
  N      -4.268284     -2.330689      5.140698
  H      -4.886096     -1.689313      4.625024
  H      -3.350220     -1.874418      5.204488
  H      -4.637737     -2.388938      6.092643
  N      -5.493244     -2.829420      2.462857
  N      -6.022153     -1.838363      2.501084
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.292486854340
  N      -2.738927     -3.641697      2.605965
  C      -2.504437     -4.535266      1.473924
  C      -2.422290     -5.974327      1.976052
  N      -3.495065     -6.254646      2.981326
  C      -4.762336     -6.722789      2.353392
  C      -5.917652     -6.570385      3.342872
  N      -5.810028     -5.269382      4.000945
  Mo     -3.994169     -4.374629      4.023252
  N      -2.836740     -5.203306      5.414863
  C      -2.142122     -6.446750      5.022776
  C      -3.001875     -7.205614      4.021514
  H      -1.946558     -7.111879      5.879518
  H      -1.151092     -6.224530      4.576282
  H      -3.879854     -7.616160      4.540147
  H      -2.448459     -8.041802      3.556206
  H      -6.863825     -6.678999      2.780197
  H      -5.896845     -7.408953      4.069827
  H      -4.934169     -6.079574      1.478764
  H      -4.666591     -7.769789      2.007992
  H      -1.562436     -4.320225      0.941459
  H      -3.309824     -4.444909      0.716911
  H      -1.460196     -6.113906      2.488222
  H      -2.481538     -6.702820      1.147934
  C       0.303754     -2.228959      3.440831
  N      -1.119851     -2.262196      3.783205
  C      -2.129156     -2.321471      2.662637
  C      -1.552768     -1.753980      1.352574
  C      -2.597307     -1.480596      0.298978
  C      -3.598396     -0.522921      0.516542
  C      -4.568194     -0.264169     -0.451951
  C      -4.551182     -0.955789     -1.666407
  C      -3.552161     -1.901990     -1.903700
  C      -2.586299     -2.158626     -0.928036
  C      -7.384677     -6.817943      6.561593
  N      -6.654384     -5.585599      6.282695
  C      -6.847506     -4.914893      4.965916
  C      -8.271454     -5.061207      4.418287
  C      -9.355737     -4.320546      5.168311
  C     -10.609589     -4.153093      4.555596
  C     -11.646767     -3.481862      5.201287
  C     -11.449454     -2.955380      6.482100
  C     -10.206869     -3.107948      7.099209
  C      -9.169801     -3.784106      6.449664
  C      -3.487149     -6.606773      7.973400
  N      -3.309509     -5.165139      7.863049
  C      -2.485580     -4.683728      6.745085
  C      -0.980852     -4.848535      7.085500
  C      -0.525437     -3.860396      8.121872
  C      -0.393250     -4.226578      9.468299
  C       0.005995     -3.297030     10.430522
  C       0.278755     -1.978554     10.061665
  C       0.146872     -1.598504      8.722954
  C      -0.251857     -2.531618      7.765509
  H       0.640439     -3.033860      2.754860
  H       0.883195     -2.321754      4.371870
  H       0.575457     -1.264171      2.989733
  H      -1.275768     -3.127566      4.306084
  H      -2.924278     -1.607877      2.953177
  H      -0.772375     -2.413313      0.947107
  H      -1.056546     -0.806549      1.613523
  H      -3.622662      0.025005      1.461600
  H      -5.342777      0.479285     -0.255890
  H      -5.310019     -0.755041     -2.424208
  H      -3.523931     -2.443785     -2.851633
  H      -1.807598     -2.900245     -1.121101
  H      -7.016006     -7.227996      7.513149
  H      -8.454967     -6.600969      6.696149
  H      -7.294253     -7.614046      5.796201
  H      -5.647120     -5.755540      6.325690
  H      -6.698157     -3.836209      5.154810
  H      -8.247840     -4.687943      3.383343
  H      -8.544482     -6.126955      4.349193
  H     -10.770329     -4.553196      3.549879
  H     -12.612221     -3.363330      4.700780
  H     -12.258155     -2.426788      6.989544
  H     -10.038583     -2.698280      8.096488
  H      -8.209182     -3.915118      6.948939
  H      -2.522501     -7.099032      8.172673
  H      -3.930502     -7.083364      7.074119
  H      -4.146520     -6.822226      8.824554
  H      -4.227932     -4.722149      7.807404
  H      -2.673157     -3.601700      6.710905
  H      -0.400995     -4.705420      6.159026
  H      -0.778068     -5.871694      7.437499
  H      -0.610791     -5.254982      9.763268
  H       0.105282     -3.604054     11.473686
  H       0.595520     -1.251070     10.811133
  H       0.360905     -0.571176      8.422616
  H      -0.352196     -2.223226      6.721038
  N      -4.279236     -2.333045      5.132321
  H      -4.897568     -1.687616      4.618962
  H      -3.368316     -1.864351      5.203199
  H      -4.648456     -2.392253      6.084564
  N      -5.498175     -2.817663      2.455532
  N      -6.022326     -1.824078      2.505542
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.292916647559
  N      -2.726597     -3.648489      2.602978
  C      -2.492857     -4.543607      1.471907
  C      -2.413598     -5.981075      1.981722
  N      -3.494282     -6.258596      2.980926
  C      -4.759673     -6.720616      2.344923
  C      -5.917892     -6.570460      3.330575
  N      -5.806946     -5.274078      3.997281
  Mo     -3.993329     -4.371472      4.017989
  N      -2.848002     -5.203220      5.420699
  C      -2.152493     -6.449095      5.030137
  C      -3.010679     -7.208488      4.028698
  H      -1.953897     -7.112841      5.887899
  H      -1.162556     -6.225844      4.581396
  H      -3.893303     -7.609325      4.545827
  H      -2.460701     -8.050153      3.569809
  H      -6.862218     -6.670547      2.762208
  H      -5.905196     -7.414669      4.050902
  H      -4.925222     -6.068433      1.475715
  H      -4.665022     -7.765613      1.993407
  H      -1.548796     -4.330650      0.942268
  H      -3.299248     -4.452437      0.716229
  H      -1.455140     -6.117291      2.500608
  H      -2.467260     -6.714412      1.157325
  C       0.307613     -2.263894      3.435991
  N      -1.115544     -2.267397      3.783371
  C      -2.122733     -2.323364      2.663394
  C      -1.551948     -1.750206      1.353237
  C      -2.601215     -1.476789      0.304376
  C      -3.599896     -0.518330      0.527177
  C      -4.570988     -0.253706     -0.438203
  C      -4.558737     -0.941737     -1.654665
  C      -3.562766     -1.889808     -1.896595
  C      -2.594730     -2.151411     -0.923974
  C      -7.385234     -6.826439      6.552784
  N      -6.654422     -5.592521      6.279826
  C      -6.843663     -4.919960      4.962285
  C      -8.268246     -5.062603      4.409931
  C      -9.355757     -4.324921      5.159791
  C     -10.610133     -4.161036      4.548472
  C     -11.647548     -3.491514      5.196163
  C     -11.449859     -2.964892      6.477937
  C     -10.207309     -3.114940      7.094168
  C      -9.169918     -3.788300      6.442001
  C      -3.494889     -6.578794      7.991791
  N      -3.318755     -5.138074      7.868228
  C      -2.494013     -4.671530      6.744199
  C      -0.990084     -4.842254      7.082560
  C      -0.521449     -3.854632      8.116030
  C      -0.382220     -4.220719      9.461729
  C       0.018906     -3.291893     10.423197
  C       0.287828     -1.973536     10.052755
  C       0.150170     -1.593437      8.714103
  C      -0.251755     -2.525766      7.757221
  H       0.626035     -3.083632      2.759822
  H       0.887046     -2.355416      4.367299
  H       0.595777     -1.311356      2.970479
  H      -1.284742     -3.131552      4.306410
  H      -2.923416     -1.616752      2.954079
  H      -0.768535     -2.402325      0.942863
  H      -1.059787     -0.800136      1.614017
  H      -3.620783      0.025978      1.473380
  H      -5.344241      0.490021     -0.238330
  H      -5.321333     -0.738721     -2.410649
  H      -3.540507     -2.431373     -2.846195
  H      -1.818500     -2.894488     -1.120779
  H      -7.021078     -7.239435      7.504747
  H      -8.456059     -6.609568      6.682462
  H      -7.291838     -7.620647      5.785829
  H      -5.646430     -5.762784      6.322814
  H      -6.692897     -3.841060      5.152984
  H      -8.240669     -4.686236      3.374679
  H      -8.543072     -6.128019      4.334768
  H     -10.771320     -4.563002      3.543957
  H     -12.613211     -3.376750      4.698222
  H     -12.258835     -2.439481      6.988088
  H     -10.039068     -2.707735      8.094970
  H      -8.208025     -3.919572      6.941009
  H      -2.528973     -7.062693      8.199903
  H      -3.929798     -7.064456      7.094497
  H      -4.157162     -6.790609      8.843584
  H      -4.236969     -4.701875      7.796835
  H      -2.676909     -3.589623      6.701697
  H      -0.413025     -4.708027      6.152970
  H      -0.793057     -5.867248      7.435465
  H      -0.596997     -5.249530      9.757546
  H       0.122333     -3.599034     11.466509
  H       0.605457     -1.246620     10.801539
  H       0.361961     -0.566643      8.413053
  H      -0.360676     -2.215754      6.712673
  N      -4.273616     -2.341239      5.136932
  H      -4.902120     -1.691989      4.637074
  H      -3.368624     -1.860971      5.201685
  H      -4.626947     -2.405149      6.094889
  N      -5.491682     -2.801874      2.475584
  N      -6.003537     -1.804625      2.554790
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.293202268957
  N      -2.715894     -3.648709      2.594290
  C      -2.489644     -4.543558      1.459860
  C      -2.413673     -5.981537      1.972286
  N      -3.497271     -6.257825      2.969365
  C      -4.765525     -6.708303      2.330164
  C      -5.922906     -6.557924      3.317065
  N      -5.807559     -5.264764      3.991308
  Mo     -3.989060     -4.363989      4.009675
  N      -2.855031     -5.206647      5.418541
  C      -2.159938     -6.453612      5.024105
  C      -3.019868     -7.208755      4.020809
  H      -1.957425     -7.118404      5.879514
  H      -1.171852     -6.227495      4.573340
  H      -3.906893     -7.599666      4.536892
  H      -2.475603     -8.055382      3.564579
  H      -6.867296     -6.649831      2.746355
  H      -5.916115     -7.406816      4.032190
  H      -4.926582     -6.043995      1.469051
  H      -4.677927     -7.750955      1.970102
  H      -1.544793     -4.333486      0.929934
  H      -3.300038     -4.448086      0.708908
  H      -1.457105     -6.114106      2.494695
  H      -2.464057     -6.718694      1.151168
  C       0.316327     -2.312836      3.426592
  N      -1.102970     -2.281682      3.780002
  C      -2.109095     -2.324473      2.664231
  C      -1.542745     -1.742314      1.356345
  C      -2.592986     -1.472606      0.307647
  C      -3.592167     -0.513197      0.528391
  C      -4.563199     -0.250226     -0.439798
  C      -4.547701     -0.937815     -1.656632
  C      -3.550862     -1.886060     -1.895566
  C      -2.585320     -2.148992     -0.920223
  C      -7.375079     -6.834903      6.546543
  N      -6.645989     -5.598720      6.279292
  C      -6.839242     -4.921580      4.964989
  C      -8.264313     -5.070221      4.417783
  C      -9.352954     -4.341700      5.173896
  C     -10.608760     -4.180543      4.566285
  C     -11.644613     -3.510891      5.217050
  C     -11.444088     -2.981941      6.497081
  C     -10.200527     -3.132792      7.111934
  C      -9.164075     -3.805649      6.456867
  C      -3.514960     -6.556726      8.010469
  N      -3.328031     -5.117613      7.872475
  C      -2.499166     -4.666418      6.741070
  C      -0.997363     -4.840673      7.080344
  C      -0.525342     -3.850099      8.110195
  C      -0.387481     -4.209657      9.456297
  C       0.002619     -3.274205     10.415654
  C       0.261485     -1.954841     10.041221
  C       0.126417     -1.581470      8.701214
  C      -0.264414     -2.520749      7.745842
  H       0.612573     -3.143084      2.756672
  H       0.892767     -2.410716      4.356627
  H       0.624828     -1.374519      2.950931
  H      -1.292023     -3.142433      4.300312
  H      -2.912840     -1.627754      2.962881
  H      -0.753819     -2.385950      0.942929
  H      -1.058261     -0.788553      1.619815
  H      -3.613125      0.033889      1.474852
  H      -5.335921      0.495132     -0.242141
  H      -5.304345     -0.730238     -2.415026
  H      -3.522631     -2.422569     -2.844704
  H      -1.807301     -2.890823     -1.115454
  H      -7.008446     -7.253126      7.494010
  H      -8.444653     -6.618611      6.679948
  H      -7.283937     -7.624745      5.774706
  H      -5.639172     -5.771536      6.321062
  H      -6.694832     -3.842301      5.160277
  H      -8.242734     -4.693629      3.383380
  H      -8.533797     -6.135929      4.338900
  H     -10.772612     -4.580031      3.559415
  H     -12.611295     -3.393854      4.719365
  H     -12.252257     -2.453583      7.007001
  H     -10.030876     -2.721845      8.109458
  H      -8.199622     -3.933993      6.949740
  H      -2.552744     -7.039338      8.232956
  H      -3.945196     -7.050097      7.116898
  H      -4.183789     -6.753795      8.857914
  H      -4.246536     -4.678624      7.782568
  H      -2.676824     -3.581466      6.693476
  H      -0.421154     -4.711125      6.150964
  H      -0.806357     -5.865507      7.431863
  H      -0.596200     -5.238854      9.755282
  H       0.103027     -3.575646     11.460233
  H       0.567562     -1.222199     10.789422
  H       0.330114     -0.553624      8.397989
  H      -0.378018     -2.215382      6.700595
  N      -4.259279     -2.351500      5.140716
  H      -4.893845     -1.695051      4.657350
  H      -3.356773     -1.863522      5.205248
  H      -4.602296     -2.424777      6.102959
  N      -5.484465     -2.769853      2.498424
  N      -5.974276     -1.762520      2.613351
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.293411126225
  N      -2.709771     -3.655758      2.587987
  C      -2.482415     -4.552208      1.455460
  C      -2.407714     -5.989933      1.972277
  N      -3.493860     -6.264649      2.965950
  C      -4.763241     -6.711178      2.324626
  C      -5.922393     -6.559176      3.309644
  N      -5.807525     -5.264499      3.983830
  Mo     -3.987278     -4.365956      4.005550
  N      -2.861482     -5.210350      5.418285
  C      -2.167189     -6.460543      5.029980
  C      -3.022755     -7.214316      4.022295
  H      -1.968905     -7.123756      5.887993
  H      -1.177326     -6.235157      4.583690
  H      -3.914009     -7.600278      4.534045
  H      -2.479528     -8.063339      3.571173
  H      -6.865605     -6.650664      2.736880
  H      -5.919014     -7.407296      4.025182
  H      -4.921366     -6.041918      1.467323
  H      -4.679850     -7.752983      1.961661
  H      -1.536411     -4.343091      0.927247
  H      -3.292016     -4.458363      0.703879
  H      -1.453317     -6.115825      2.500408
  H      -2.451674     -6.731963      1.155225
  C       0.325388     -2.340498      3.435714
  N      -1.097275     -2.291076      3.783616
  C      -2.102292     -2.329777      2.667110
  C      -1.539877     -1.736786      1.363023
  C      -2.590335     -1.465386      0.316954
  C      -3.586513     -0.504380      0.541322
  C      -4.558910     -0.237508     -0.424168
  C      -4.547981     -0.924030     -1.642262
  C      -3.554671     -1.875100     -1.884328
  C      -2.586930     -2.141016     -0.911167
  C      -7.384696     -6.848627      6.534287
  N      -6.648280     -5.611681      6.274184
  C      -6.839034     -4.927985      4.961183
  C      -8.267197     -5.072670      4.413796
  C      -9.354784     -4.342044      5.169952
  C     -10.612233     -4.179035      4.566541
  C     -11.644527     -3.510116      5.222789
  C     -11.439350     -2.980476      6.500108
  C     -10.194839     -3.135056      7.111879
  C      -9.160959     -3.809892      6.454440
  C      -3.515353     -6.534651      8.023030
  N      -3.329178     -5.096324      7.872067
  C      -2.500503     -4.659012      6.734393
  C      -0.997210     -4.833134      7.069406
  C      -0.523531     -3.841826      8.097701
  C      -0.388445     -4.197613      9.445112
  C      -0.001236     -3.258697     10.402554
  C       0.257578     -1.940011     10.023739
  C       0.126611     -1.570994      8.681675
  C      -0.261404     -2.513617      7.727950
  H       0.616186     -3.184528      2.776869
  H       0.901015     -2.432088      4.370066
  H       0.643054     -1.407780      2.947529
  H      -1.301591     -3.151982      4.303272
  H      -2.911962     -1.642626      2.972495
  H      -0.748123     -2.374378      0.945711
  H      -1.059917     -0.783141      1.632450
  H      -3.603936      0.039499      1.488957
  H      -5.329436      0.509175     -0.223626
  H      -5.305655     -0.713514     -2.399376
  H      -3.531115     -2.411995     -2.834694
  H      -1.811515     -2.884721     -1.109277
  H      -7.021660     -7.274575      7.482340
  H      -8.455637     -6.629606      6.664832
  H      -7.294557     -7.634277      5.758111
  H      -5.641123     -5.791289      6.323401
  H      -6.694249     -3.848603      5.159328
  H      -8.246700     -4.695147      3.378707
  H      -8.539778     -6.138462      4.333671
  H     -10.779544     -4.581981      3.564984
  H     -12.610528     -3.398213      4.735182
  H     -12.244465     -2.454208      7.015252
  H     -10.021991     -2.728860      8.112313
  H      -8.192368     -3.949399      6.950230
  H      -2.552180     -7.017606      8.251106
  H      -3.942644     -7.035206      7.131254
  H      -4.186114     -6.721599      8.873859
  H      -4.248661     -4.661581      7.771030
  H      -2.674641     -3.575011      6.676694
  H      -0.424852     -4.700393      6.138120
  H      -0.805248     -5.859148      7.415787
  H      -0.597635     -5.226122      9.747092
  H       0.095553     -3.556428     11.448733
  H       0.559516     -1.204655     10.771183
  H       0.330542     -0.543545      8.375479
  H      -0.373368     -2.213367      6.680680
  N      -4.265594     -2.366116      5.140236
  H      -4.905033     -1.707877      4.660271
  H      -3.366463     -1.871368      5.215195
  H      -4.611063     -2.450712      6.100570
  N      -5.485518     -2.752678      2.509819
  N      -5.958418     -1.739477      2.635831
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.293681855554
  N      -2.708854     -3.658735      2.583013
  C      -2.480580     -4.556066      1.453429
  C      -2.408465     -5.992891      1.972259
  N      -3.493499     -6.263788      2.964900
  C      -4.762258     -6.712466      2.326080
  C      -5.921227     -6.558422      3.310244
  N      -5.807215     -5.263266      3.982622
  Mo     -3.988680     -4.362712      4.002463
  N      -2.866720     -5.205654      5.416816
  C      -2.175687     -6.457555      5.035059
  C      -3.026259     -7.209976      4.023598
  H      -1.987345     -7.120204      5.895926
  H      -1.181363     -6.236310      4.596289
  H      -3.919866     -7.596645      4.531062
  H      -2.480990     -8.059033      3.575706
  H      -6.864269     -6.651205      2.738107
  H      -5.917898     -7.404755      4.027702
  H      -4.921633     -6.046538      1.467280
  H      -4.679299     -7.754922      1.965640
  H      -1.533778     -4.348245      0.926199
  H      -3.286954     -4.464111      0.698768
  H      -1.454595     -6.116323      2.502962
  H      -2.450726     -6.737199      1.157249
  C       0.330057     -2.367605      3.427286
  N      -1.091224     -2.293249      3.779141
  C      -2.098707     -2.332391      2.663899
  C      -1.537273     -1.734232      1.362426
  C      -2.587488     -1.459916      0.317855
  C      -3.582526     -0.498670      0.545683
  C      -4.554206     -0.227297     -0.416866
  C      -4.545460     -0.911026     -1.635777
  C      -3.555123     -1.863985     -1.881117
  C      -2.586868     -2.133473     -0.910569
  C      -7.385531     -6.858678      6.529815
  N      -6.647843     -5.621376      6.272429
  C      -6.839006     -4.933087      4.962315
  C      -8.268085     -5.078015      4.415298
  C      -9.357514     -4.350328      5.171491
  C     -10.615100     -4.188604      4.565714
  C     -11.649746     -3.519578      5.218759
  C     -11.446388     -2.992954      6.498901
  C     -10.202363     -3.144565      7.110985
  C      -9.166327     -3.815315      6.453653
  C      -3.514299     -6.512296      8.032458
  N      -3.329564     -5.074462      7.867818
  C      -2.498734     -4.649097      6.728187
  C      -0.995757     -4.827479      7.063454
  C      -0.524012     -3.837694      8.095272
  C      -0.389594     -4.194714      9.443094
  C       0.001350     -3.256570     10.400919
  C       0.265012     -1.939010     10.021792
  C       0.135165     -1.569247      8.679516
  C      -0.256810     -2.510274      7.725695
  H       0.606674     -3.222537      2.776269
  H       0.907682     -2.458856      4.359667
  H       0.658794     -1.444333      2.927700
  H      -1.308274     -3.149754      4.301766
  H      -2.908913     -1.648809      2.976676
  H      -0.746386     -2.371788      0.943245
  H      -1.056668     -0.782524      1.636756
  H      -3.598248      0.041761      1.494518
  H      -5.323589      0.519469     -0.213528
  H      -5.305210     -0.699178     -2.391564
  H      -3.536331     -2.402168     -2.832911
  H      -1.813967     -2.878784     -1.111736
  H      -7.022739     -7.286085      7.477461
  H      -8.456988     -6.640348      6.660211
  H      -7.294089     -7.642215      5.752115
  H      -5.641812     -5.804868      6.328394
  H      -6.695233     -3.854249      5.163467
  H      -8.248962     -4.697424      3.380770
  H      -8.539632     -6.144636      4.332610
  H     -10.780403     -4.588893      3.561517
  H     -12.616738     -3.401181      4.723023
  H     -12.252673     -2.465523      7.011354
  H     -10.031560     -2.735124      8.108905
  H      -8.199300     -3.945141      6.942774
  H      -2.553400     -6.992921      8.270583
  H      -3.937036     -7.021860      7.143206
  H      -4.190176     -6.690636      8.881682
  H      -4.249790     -4.645559      7.755780
  H      -2.665411     -3.565794      6.661991
  H      -0.422783     -4.688443      6.131562
  H      -0.804287     -5.857133      7.404560
  H      -0.601801     -5.222259      9.744918
  H       0.097581     -3.554784     11.447377
  H       0.569718     -1.204919     10.769601
  H       0.343189     -0.543029      8.372979
  H      -0.364387     -2.211881      6.677404
  N      -4.271302     -2.371402      5.141618
  H      -4.909366     -1.708171      4.667612
  H      -3.371866     -1.882429      5.224621
  H      -4.622225     -2.463620      6.098612
  N      -5.488373     -2.733859      2.524045
  N      -5.941622     -1.713713      2.664344
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.293946458213
  N      -2.715400     -3.657284      2.579027
  C      -2.478741     -4.555288      1.453785
  C      -2.410667     -5.991281      1.973601
  N      -3.494121     -6.257445      2.964946
  C      -4.761342     -6.709356      2.330948
  C      -5.919937     -6.550197      3.313763
  N      -5.811268     -5.251939      3.979240
  Mo     -3.993858     -4.352614      3.997621
  N      -2.868881     -5.189215      5.412443
  C      -2.183189     -6.442885      5.039409
  C      -3.029671     -7.197029      4.025535
  H      -2.009974     -7.104391      5.904264
  H      -1.182107     -6.229958      4.610585
  H      -3.924560     -7.587999      4.529265
  H      -2.479004     -8.045527      3.582038
  H      -6.862662     -6.649269      2.743424
  H      -5.913405     -7.390642      4.038215
  H      -4.923039     -6.051862      1.466462
  H      -4.679279     -7.753969      1.977141
  H      -1.529179     -4.347552      0.931510
  H      -3.276136     -4.465752      0.689999
  H      -1.457330     -6.112626      2.507554
  H      -2.450019     -6.736289      1.159184
  C       0.330972     -2.411820      3.405097
  N      -1.081856     -2.296431      3.767850
  C      -2.095290     -2.333135      2.657897
  C      -1.532410     -1.733632      1.358600
  C      -2.582254     -1.455738      0.313834
  C      -3.575173     -0.491390      0.542483
  C      -4.547416     -0.219768     -0.417780
  C      -4.541406     -0.904758     -1.635520
  C      -3.553001     -1.859220     -1.881628
  C      -2.584972     -2.130523     -0.913208
  C      -7.380545     -6.864031      6.524577
  N      -6.647034     -5.628989      6.265512
  C      -6.842898     -4.934678      4.963084
  C      -8.269778     -5.085654      4.418903
  C      -9.362320     -4.362000      5.174800
  C     -10.618606     -4.202457      4.565615
  C     -11.658501     -3.536493      5.214200
  C     -11.461593     -3.012040      6.495238
  C     -10.218923     -3.164388      7.112752
  C      -9.177429     -3.830406      6.458638
  C      -3.519248     -6.484671      8.036377
  N      -3.332054     -5.046859      7.858514
  C      -2.492778     -4.632459      6.722211
  C      -0.993417     -4.819269      7.062841
  C      -0.526043     -3.834831      8.101331
  C      -0.391520     -4.198476      9.448491
  C       0.010476     -3.265309     10.407131
  C       0.282430     -1.947247     10.031106
  C       0.150094     -1.570540      8.690935
  C      -0.250495     -2.506395      7.736231
  H       0.580404     -3.277959      2.761521
  H       0.911280     -2.508833      4.331005
  H       0.677668     -1.506233      2.893551
  H      -1.317012     -3.140068      4.297709
  H      -2.899660     -1.648152      2.981914
  H      -0.745692     -2.376800      0.939112
  H      -1.046909     -0.784946      1.638661
  H      -3.587655      0.051000      1.491496
  H      -5.314357      0.529268     -0.213780
  H      -5.300650     -0.691289     -2.390461
  H      -3.534207     -2.395448     -2.832812
  H      -1.812837     -2.876084     -1.115924
  H      -7.009887     -7.288644      7.465851
  H      -8.449346     -6.647884      6.665090
  H      -7.290863     -7.645724      5.746055
  H      -5.644377     -5.815766      6.330059
  H      -6.705615     -3.857655      5.170005
  H      -8.252735     -4.704109      3.385532
  H      -8.535868     -6.152332      4.336691
  H     -10.777987     -4.602634      3.561788
  H     -12.623648     -3.421228      4.716852
  H     -12.271143     -2.488640      7.006841
  H     -10.052914     -2.761189      8.116071
  H      -8.211599     -3.962872      6.955171
  H      -2.565402     -6.965361      8.290861
  H      -3.934089     -7.003192      7.148247
  H      -4.206964     -6.652293      8.877459
  H      -4.252574     -4.622884      7.730705
  H      -2.648254     -3.547400      6.651090
  H      -0.419397     -4.671606      6.134047
  H      -0.803575     -5.850626      7.396729
  H      -0.608561     -5.226500      9.747806
  H       0.109669     -3.568877     11.451846
  H       0.596309     -1.218133     10.779421
  H       0.364025     -0.543915      8.386292
  H      -0.354505     -2.205553      6.688877
  N      -4.282116     -2.372706      5.135075
  H      -4.917470     -1.704659      4.665795
  H      -3.381596     -1.888507      5.227616
  H      -4.641490     -2.474569      6.088815
  N      -5.499166     -2.696710      2.528776
  N      -5.922505     -1.666119      2.691330
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.294152425783
  N      -2.714998     -3.663232      2.575785
  C      -2.468571     -4.560853      1.454379
  C      -2.402085     -5.995943      1.975973
  N      -3.487869     -6.260716      2.964675
  C      -4.752662     -6.716074      2.330728
  C      -5.911980     -6.557735      3.312785
  N      -5.807563     -5.258359      3.976107
  Mo     -3.994636     -4.357283      3.993927
  N      -2.866531     -5.184944      5.407954
  C      -2.179973     -6.437993      5.041272
  C      -3.023080     -7.196711      4.027056
  H      -2.013099     -7.097396      5.908887
  H      -1.176351     -6.227899      4.617412
  H      -3.916089     -7.593915      4.529249
  H      -2.466722     -8.043222      3.585740
  H      -6.854340     -6.660767      2.742711
  H      -5.902975     -7.396247      4.039778
  H      -4.916111     -6.063126      1.462056
  H      -4.667832     -7.761882      1.978935
  H      -1.516370     -4.351984      0.937182
  H      -3.258936     -4.474150      0.682445
  H      -1.450251     -6.117357      2.512700
  H      -2.438811     -6.740685      1.161315
  C       0.337371     -2.443549      3.391329
  N      -1.072593     -2.302562      3.761240
  C      -2.092922     -2.339804      2.655039
  C      -1.533473     -1.735739      1.356163
  C      -2.586870     -1.450565      0.316523
  C      -3.574791     -0.482418      0.551981
  C      -4.553901     -0.209605     -0.401847
  C      -4.558515     -0.895403     -1.619933
  C      -3.573654     -1.851523     -1.872987
  C      -2.599219     -2.124648     -0.910949
  C      -7.395825     -6.882038      6.506574
  N      -6.649355     -5.650170      6.256119
  C      -6.838848     -4.942427      4.959806
  C      -8.266496     -5.081279      4.412170
  C      -9.353506     -4.356557      5.173675
  C     -10.610022     -4.187829      4.566245
  C     -11.646216     -3.523259      5.220717
  C     -11.445489     -3.007067      6.504767
  C     -10.202523     -3.166110      7.118426
  C      -9.164606     -3.833533      6.460574
  C      -3.521362     -6.478394      8.039665
  N      -3.340445     -5.041909      7.851896
  C      -2.495301     -4.626363      6.719707
  C      -0.996702     -4.810198      7.064586
  C      -0.534877     -3.825337      8.102824
  C      -0.404323     -4.186192      9.450810
  C      -0.002301     -3.250644     10.407765
  C       0.271434     -1.932889     10.030441
  C       0.141832     -1.558885      8.689775
  C      -0.256395     -2.497807      7.736520
  H       0.569735     -3.325272      2.760024
  H       0.928754     -2.532157      4.315757
  H       0.690121     -1.547907      2.861449
  H      -1.316574     -3.139270      4.299581
  H      -2.893772     -1.654621      2.986974
  H      -0.752058     -2.381575      0.931340
  H      -1.041472     -0.791140      1.640041
  H      -3.580071      0.059010      1.501547
  H      -5.317096      0.541865     -0.192700
  H      -5.319824     -0.678247     -2.369698
  H      -3.559983     -2.384471     -2.824342
  H      -1.829380     -2.871101     -1.119306
  H      -7.028436     -7.317967      7.446619
  H      -8.463897     -6.657901      6.647717
  H      -7.313298     -7.659619      5.722303
  H      -5.648043     -5.842578      6.329801
  H      -6.695037     -3.867268      5.175276
  H      -8.247267     -4.690610      3.382020
  H      -8.538850     -6.146545      4.322843
  H     -10.772381     -4.577708      3.555855
  H     -12.612016     -3.399341      4.723072
  H     -12.252319     -2.480952      7.018429
  H     -10.033664     -2.763995      8.117985
  H      -8.200224     -3.968193      6.951989
  H      -2.565799     -6.956395      8.297574
  H      -3.934228     -7.004678      7.156232
  H      -4.210431     -6.640825      8.880431
  H      -4.263650     -4.623211      7.717521
  H      -2.650020     -3.538514      6.648264
  H      -0.422046     -4.658541      6.139091
  H      -0.803113     -5.838784      7.398638
  H      -0.623203     -5.213632      9.752082
  H       0.095302     -3.552191     11.452762
  H       0.585364     -1.201853     10.777807
  H       0.356535     -0.532320      8.383578
  H      -0.357110     -2.198810      6.688896
  N      -4.289877     -2.382040      5.134033
  H      -4.931698     -1.717708      4.664411
  H      -3.391258     -1.890726      5.225777
  H      -4.646016     -2.491968      6.088512
  N      -5.502236     -2.683963      2.533997
  N      -5.911767     -1.650914      2.712001
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.294436050714
  N      -2.715130     -3.668087      2.568230
  C      -2.454488     -4.567563      1.451803
  C      -2.387144     -6.000632      1.978293
  N      -3.478098     -6.264950      2.963612
  C      -4.739659     -6.722892      2.326293
  C      -5.900965     -6.567126      3.306593
  N      -5.802073     -5.266877      3.968915
  Mo     -3.993107     -4.363106      3.986797
  N      -2.862468     -5.178871      5.404786
  C      -2.173804     -6.432152      5.044132
  C      -3.013148     -7.196799      4.030213
  H      -2.010777     -7.089022      5.914315
  H      -1.168644     -6.224709      4.623430
  H      -3.903674     -7.599476      4.531942
  H      -2.450699     -8.042158      3.592473
  H      -6.842285     -6.674120      2.734980
  H      -5.890061     -7.404523      4.035062
  H      -4.902927     -6.073299      1.453683
  H      -4.651267     -7.769530      1.975194
  H      -1.498513     -4.356707      0.941841
  H      -3.237343     -4.485375      0.670627
  H      -1.437689     -6.121227      2.518389
  H      -2.419820     -6.746292      1.164158
  C       0.341634     -2.503690      3.366502
  N      -1.059457     -2.318875      3.750310
  C      -2.089203     -2.348844      2.651448
  C      -1.536035     -1.739158      1.352008
  C      -2.595168     -1.441362      0.322419
  C      -3.576850     -0.470156      0.569786
  C      -4.564997     -0.192387     -0.373595
  C      -4.584461     -0.875518     -1.592961
  C      -3.606395     -1.835277     -1.858373
  C      -2.622529     -2.112843     -0.906680
  C      -7.411435     -6.901660      6.484306
  N      -6.649434     -5.675699      6.242070
  C      -6.831573     -4.952135      4.953536
  C      -8.259611     -5.076478      4.401867
  C      -9.341386     -4.348963      5.168251
  C     -10.598101     -4.172173      4.564212
  C     -11.630859     -3.508195      5.224160
  C     -11.426494     -2.999535      6.510586
  C     -10.182872     -3.166576      7.121278
  C      -9.148702     -3.834491      6.458059
  C      -3.524802     -6.460023      8.045845
  N      -3.349911     -5.024665      7.844816
  C      -2.497736     -4.615715      6.717521
  C      -1.001160     -4.797728      7.068816
  C      -0.544482     -3.812528      8.107449
  C      -0.426873     -4.166088      9.458048
  C      -0.028560     -3.226826     10.413891
  C       0.254938     -1.913091     10.033303
  C       0.137993     -1.546493      8.689614
  C      -0.256882     -2.489052      7.738062
  H       0.541677     -3.401097      2.746326
  H       0.942857     -2.592818      4.285110
  H       0.710694     -1.626127      2.818779
  H      -1.318256     -3.143924      4.299628
  H      -2.883247     -1.662119      2.993942
  H      -0.762818     -2.387274      0.916796
  H      -1.034102     -0.801424      1.639651
  H      -3.572953      0.066551      1.520428
  H      -5.324696      0.560152     -0.155269
  H      -5.353909     -0.655790     -2.334230
  H      -3.606900     -2.369390     -2.811428
  H      -1.858748     -2.863273     -1.124307
  H      -7.047021     -7.351046      7.421692
  H      -8.477644     -6.666342      6.628537
  H      -7.340334     -7.674644      5.693545
  H      -5.648797     -5.873003      6.323094
  H      -6.681037     -3.879772      5.180103
  H      -8.235743     -4.678042      3.375136
  H      -8.539462     -6.139044      4.305884
  H     -10.763342     -4.557997      3.553734
  H     -12.597347     -3.380433      4.730221
  H     -12.230854     -2.474216      7.028945
  H     -10.010847     -2.771609      8.122991
  H      -8.185060     -3.977708      6.949955
  H      -2.568539     -6.932459      8.312175
  H      -3.931323     -6.997319      7.164984
  H      -4.218296     -6.617270      8.884070
  H      -4.275773     -4.612005      7.699192
  H      -2.648153     -3.527975      6.642579
  H      -0.424741     -4.641599      6.145299
  H      -0.802899     -5.824979      7.402911
  H      -0.653986     -5.189909      9.763503
  H       0.058840     -3.522390     11.461457
  H       0.567489     -1.179232     10.779915
  H       0.360232     -0.523237      8.380006
  H      -0.348338     -2.193517      6.688320
  N      -4.295774     -2.396100      5.135125
  H      -4.928135     -1.723087      4.667809
  H      -3.399813     -1.907079      5.242082
  H      -4.662980     -2.513911      6.084010
  N      -5.504559     -2.669018      2.539793
  N      -5.900206     -1.634618      2.740046
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.294782690279
  N      -2.719485     -3.669139      2.558778
  C      -2.438643     -4.572616      1.449765
  C      -2.365587     -6.002194      1.984158
  N      -3.462839     -6.267191      2.964994
  C      -4.718815     -6.731302      2.321646
  C      -5.884517     -6.580791      3.297903
  N      -5.793949     -5.279586      3.958673
  Mo     -3.991291     -4.368702      3.977724
  N      -2.859853     -5.168107      5.404277
  C      -2.166962     -6.421736      5.052729
  C      -2.998440     -7.193358      4.037867
  H      -2.008719     -7.075126      5.926474
  H      -1.159655     -6.216779      4.637136
  H      -3.886601     -7.602186      4.537804
  H      -2.427972     -8.036886      3.605770
  H      -6.823672     -6.693637      2.723143
  H      -5.871483     -7.416892      4.027705
  H      -4.881010     -6.086457      1.444505
  H      -4.623710     -7.778532      1.971983
  H      -1.478550     -4.357360      0.949238
  H      -3.212760     -4.498692      0.658257
  H      -1.418911     -6.119270      2.528471
  H      -2.392201     -6.750528      1.172017
  C       0.340878     -2.585642      3.332579
  N      -1.045894     -2.337855      3.736536
  C      -2.088801     -2.355837      2.648985
  C      -1.545582     -1.737836      1.348806
  C      -2.613471     -1.430675      0.328543
  C      -3.588353     -0.455036      0.585286
  C      -4.584878     -0.173070     -0.349180
  C      -4.618634     -0.855257     -1.568711
  C      -3.646231     -1.818568     -1.844185
  C      -2.655014     -2.101172     -0.901381
  C      -7.424012     -6.927610      6.457147
  N      -6.647931     -5.710026      6.222990
  C      -6.821226     -4.967100      4.945157
  C      -8.249995     -5.069648      4.386748
  C      -9.326557     -4.337964      5.157760
  C     -10.583060     -4.150463      4.555902
  C     -11.612572     -3.488248      5.222369
  C     -11.405204     -2.990067      6.512794
  C     -10.161442     -3.164800      7.119676
  C      -9.131062     -3.832960      6.450502
  C      -3.532421     -6.432714      8.059057
  N      -3.367828     -4.998732      7.839781
  C      -2.506426     -4.598795      6.718013
  C      -1.011764     -4.780473      7.076720
  C      -0.555958     -3.797192      8.117096
  C      -0.449586     -4.146880      9.469431
  C      -0.046687     -3.208604     10.423510
  C       0.252574     -1.899434     10.040403
  C       0.145498     -1.536207      8.694758
  C      -0.254189     -2.478077      7.745385
  H       0.493006     -3.502852      2.727611
  H       0.955496     -2.678834      4.241565
  H       0.733381     -1.734102      2.760479
  H      -1.325287     -3.146320      4.302405
  H      -2.874070     -1.666566      3.005081
  H      -0.778987     -2.386879      0.902563
  H      -1.035111     -0.804285      1.639661
  H      -3.570592      0.084783      1.536641
  H      -5.338946      0.583593     -0.123721
  H      -5.393948     -0.631754     -2.302213
  H      -3.656163     -2.350286     -2.797349
  H      -1.895339     -2.854146     -1.125982
  H      -7.060610     -7.389698      7.388784
  H      -8.486469     -6.681465      6.608763
  H      -7.366068     -7.694520      5.659025
  H      -5.648042     -5.911013      6.311455
  H      -6.661263     -3.899300      5.186826
  H      -8.217028     -4.660246      3.364397
  H      -8.541334     -6.128147      4.280121
  H     -10.750927     -4.530073      3.543971
  H     -12.579701     -3.356435      4.732429
  H     -12.207314     -2.467840      7.037318
  H      -9.986684     -2.779968      8.125667
  H      -8.169284     -3.986026      6.943604
  H      -2.574252     -6.894814      8.337589
  H      -3.927775     -6.985877      7.181761
  H      -4.231322     -6.584748      8.893714
  H      -4.295747     -4.596122      7.677851
  H      -2.652078     -3.511759      6.637636
  H      -0.434270     -4.620974      6.154652
  H      -0.808381     -5.806788      7.410316
  H      -0.688013     -5.167260      9.778452
  H       0.033226     -3.501414     11.472553
  H       0.571808     -1.166986     10.785027
  H       0.380670     -0.516986      8.382076
  H      -0.336351     -2.183152      6.693936
  N      -4.308370     -2.415247      5.138107
  H      -4.936541     -1.734938      4.672895
  H      -3.417046     -1.921203      5.261967
  H      -4.683768     -2.546206      6.081820
  N      -5.514684     -2.650555      2.546961
  N      -5.894400     -1.616390      2.774944
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.295125302016
  N      -2.723846     -3.670116      2.545929
  C      -2.428236     -4.579791      1.443426
  C      -2.347571     -6.005917      1.984978
  N      -3.447476     -6.270908      2.964805
  C      -4.699376     -6.742178      2.317995
  C      -5.868012     -6.594190      3.290587
  N      -5.782411     -5.291587      3.947910
  Mo     -3.984553     -4.377521      3.966781
  N      -2.851550     -5.161291      5.400257
  C      -2.155065     -6.415825      5.056806
  C      -2.981587     -7.192849      4.041981
  H      -1.999324     -7.065595      5.933776
  H      -1.146298     -6.212764      4.643878
  H      -3.868035     -7.605701      4.541645
  H      -2.406164     -8.035170      3.613021
  H      -6.805637     -6.712066      2.713824
  H      -5.853311     -7.428075      4.022237
  H      -4.860966     -6.103017      1.436667
  H      -4.598534     -7.789952      1.971568
  H      -1.465983     -4.361153      0.948503
  H      -3.197757     -4.513655      0.646571
  H      -1.401625     -6.120084      2.530238
  H      -2.372117     -6.757686      1.175677
  C       0.340892     -2.678951      3.289091
  N      -1.025230     -2.365765      3.716048
  C      -2.083113     -2.367076      2.644030
  C      -1.550867     -1.741828      1.341961
  C      -2.627173     -1.419014      0.337179
  C      -3.590792     -0.438220      0.609828
  C      -4.597554     -0.145715     -0.309617
  C      -4.654672     -0.825766     -1.529933
  C      -3.692355     -1.794607     -1.822264
  C      -2.689111     -2.085036     -0.894221
  C      -7.432009     -6.949285      6.430496
  N      -6.641639     -5.741695      6.203713
  C      -6.805870     -4.980488      4.937625
  C      -8.234624     -5.060605      4.374655
  C      -9.304413     -4.325624      5.151949
  C     -10.559848     -4.125463      4.553347
  C     -11.584766     -3.462332      5.226119
  C     -11.373632     -2.974377      6.519320
  C     -10.130002     -3.161519      7.123868
  C      -9.104981     -3.832659      6.448792
  C      -3.535078     -6.419834      8.064311
  N      -3.383019     -4.986643      7.832126
  C      -2.514176     -4.587856      6.716237
  C      -1.020688     -4.761114      7.084469
  C      -0.574046     -3.775909      8.127211
  C      -0.489379     -4.116875      9.482555
  C      -0.095158     -3.174366     10.436513
  C       0.217547     -1.869423     10.050799
  C       0.131569     -1.514767      8.701550
  C      -0.259879     -2.461193      7.752595
  H       0.440022     -3.610252      2.696576
  H       0.968033     -2.782597      4.186534
  H       0.757593     -1.855740      2.695019
  H      -1.323439     -3.153370      4.302243
  H      -2.855509     -1.672180      3.016007
  H      -0.795182     -2.392630      0.880387
  H      -1.027859     -0.816339      1.634727
  H      -3.558531      0.094736      1.561524
  H      -5.345153      0.613298     -0.071383
  H      -5.443886     -0.600059     -2.250759
  H      -3.722839     -2.328074     -2.776394
  H      -1.938917     -2.844031     -1.130138
  H      -7.070092     -7.424219      7.355996
  H      -8.490348     -6.691261      6.590260
  H      -7.388636     -7.709627      5.624932
  H      -5.643210     -5.946798      6.297258
  H      -6.635372     -3.918143      5.194009
  H      -8.192838     -4.640282      3.357424
  H      -8.537491     -6.114371      4.255765
  H     -10.731175     -4.496992      3.539144
  H     -12.552335     -3.323475      4.739912
  H     -12.172854     -2.452470      7.048777
  H      -9.951902     -2.787127      8.133466
  H      -8.145406     -3.998589      6.942986
  H      -2.573467     -6.869835      8.351636
  H      -3.919483     -6.986268      7.190371
  H      -4.236578     -6.571338      8.896337
  H      -4.312993     -4.591668      7.659268
  H      -2.662214     -3.501671      6.632614
  H      -0.439286     -4.596908      6.166539
  H      -0.810488     -5.785326      7.418553
  H      -0.737955     -5.133533      9.795154
  H      -0.031664     -3.460241     11.488288
  H       0.532289     -1.133794     10.794923
  H       0.377958     -0.499399      8.386060
  H      -0.324024     -2.171619      6.698408
  N      -4.314273     -2.434513      5.139948
  H      -4.933040     -1.744640      4.674438
  H      -3.425382     -1.941775      5.284654
  H      -4.703447     -2.576151      6.076711
  N      -5.524539     -2.639986      2.544500
  N      -5.894617     -1.607457      2.792770
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.295470129186
  N      -2.728047     -3.669091      2.534178
  C      -2.420396     -4.585619      1.438437
  C      -2.329863     -6.007444      1.988424
  N      -3.431140     -6.272420      2.967597
  C      -4.677862     -6.753329      2.317253
  C      -5.850327     -6.607619      3.284536
  N      -5.769448     -5.303624      3.938432
  Mo     -3.977216     -4.383451      3.957524
  N      -2.843946     -5.152629      5.399207
  C      -2.144189     -6.408277      5.064250
  C      -2.965004     -7.189898      4.049251
  H      -1.990369     -7.053965      5.944610
  H      -1.134051     -6.206024      4.654093
  H      -3.851537     -7.604298      4.547597
  H      -2.386149     -8.031611      3.623822
  H      -6.785663     -6.729801      2.704813
  H      -5.835429     -7.439568      4.017877
  H      -4.838571     -6.119544      1.432322
  H      -4.569867     -7.801673      1.975210
  H      -1.457726     -4.362963      0.946562
  H      -3.188005     -4.528843      0.639645
  H      -1.384146     -6.115714      2.535112
  H      -2.351391     -6.764119      1.183521
  C       0.337509     -2.766129      3.247546
  N      -1.005505     -2.387838      3.695864
  C      -2.078450     -2.374279      2.640705
  C      -1.559368     -1.739962      1.337188
  C      -2.646543     -1.409757      0.345366
  C      -3.600234     -0.422496      0.628363
  C      -4.617153     -0.124648     -0.279677
  C      -4.692782     -0.804649     -1.498398
  C      -3.739763     -1.779732     -1.801851
  C      -2.727737     -2.076578     -0.885391
  C      -7.441247     -6.969509      6.402349
  N      -6.637806     -5.770955      6.185152
  C      -6.791067     -4.993675      4.929959
  C      -8.218827     -5.051714      4.362044
  C      -9.283400     -4.313658      5.143933
  C     -10.536613     -4.099402      4.546399
  C     -11.557496     -3.434325      5.223916
  C     -11.344092     -2.958841      6.521550
  C     -10.101925     -3.159217      7.125299
  C      -9.081847     -3.832613      6.444755
  C      -3.535644     -6.410649      8.067111
  N      -3.395445     -4.977664      7.827087
  C      -2.521353     -4.577394      6.716607
  C      -1.028392     -4.742202      7.092983
  C      -0.589741     -3.755555      8.138774
  C      -0.527814     -4.090416      9.496790
  C      -0.137569     -3.147224     10.450602
  C       0.194076     -1.847477     10.062429
  C       0.129931     -1.498496      8.710265
  C      -0.258377     -2.445706      7.761535
  H       0.384005     -3.711542      2.670538
  H       0.978558     -2.878731      4.133554
  H       0.775485     -1.972307      2.628917
  H      -1.320101     -3.152095      4.305712
  H      -2.839808     -1.675490      3.028436
  H      -0.810533     -2.389761      0.862574
  H      -1.029771     -0.817506      1.630366
  H      -3.550254      0.114159      1.579062
  H      -5.356230      0.640247     -0.033414
  H      -5.488369     -0.573779     -2.208898
  H      -3.783917     -2.312512     -2.754712
  H      -1.984641     -2.840184     -1.128589
  H      -7.083873     -7.456968      7.323100
  H      -8.496658     -6.701219      6.566795
  H      -7.408716     -7.722392      5.589392
  H      -5.640520     -5.979496      6.284631
  H      -6.610194     -3.937013      5.199388
  H      -8.166994     -4.621415      3.349766
  H      -8.532753     -6.100162      4.230246
  H     -10.710013     -4.462757      3.530383
  H     -12.524498     -3.286795      4.739666
  H     -12.140732     -2.437404      7.055316
  H      -9.921931     -2.796236      8.139474
  H      -8.125160     -4.011712      6.940361
  H      -2.570372     -6.849429      8.360086
  H      -3.911168     -6.986783      7.194734
  H      -4.237596     -6.564795      8.897900
  H      -4.326337     -4.590126      7.646522
  H      -2.674077     -3.493091      6.630688
  H      -0.443708     -4.573194      6.177481
  H      -0.811980     -5.765957      7.426274
  H      -0.789557     -5.103267      9.811768
  H      -0.090764     -3.428428     11.504576
  H       0.507789     -1.111706     10.805813
  H       0.391984     -0.487606      8.392693
  H      -0.302367     -2.161098      6.704744
  N      -4.321937     -2.449583      5.141753
  H      -4.930907     -1.751114      4.676640
  H      -3.435998     -1.960672      5.308025
  H      -4.726130     -2.600301      6.070195
  N      -5.535658     -2.631404      2.543900
  N      -5.898604     -1.601900      2.815470
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.295826469794
  N      -2.731647     -3.669433      2.519272
  C      -2.417457     -4.593612      1.429955
  C      -2.314400     -6.010388      1.989358
  N      -3.414270     -6.275019      2.970121
  C      -4.656926     -6.766703      2.318584
  C      -5.832208     -6.621238      3.281641
  N      -5.753324     -5.315266      3.930653
  Mo     -3.966480     -4.390282      3.948308
  N      -2.832841     -5.146616      5.396530
  C      -2.129140     -6.402583      5.069009
  C      -2.946111     -7.188563      4.054985
  H      -1.974737     -7.043963      5.952274
  H      -1.118678     -6.199168      4.659861
  H      -3.832997     -7.603108      4.552927
  H      -2.365721     -8.029861      3.631377
  H      -6.766147     -6.746950      2.700394
  H      -5.817351     -7.450573      4.017588
  H      -4.817991     -6.138126      1.430460
  H      -4.542151     -7.815802      1.982123
  H      -1.457023     -4.366780      0.936024
  H      -3.187758     -4.547518      0.633917
  H      -1.367554     -6.109716      2.536043
  H      -2.333171     -6.773482      1.190449
  C       0.334331     -2.861125      3.201348
  N      -0.979720     -2.413211      3.669322
  C      -2.069167     -2.384578      2.633799
  C      -1.564320     -1.741124      1.328274
  C      -2.663343     -1.400223      0.354511
  C      -3.603517     -0.406024      0.653752
  C      -4.632197     -0.098017     -0.237291
  C      -4.733841     -0.776572     -1.454935
  C      -3.793489     -1.758516     -1.775308
  C      -2.769094     -2.064400     -0.875902
  C      -7.445647     -6.987940      6.377103
  N      -6.631307     -5.797346      6.169557
  C      -6.773603     -5.005760      4.924288
  C      -8.200309     -5.041382      4.351190
  C      -9.260757     -4.301012      5.136773
  C     -10.511296     -4.072075      4.538707
  C     -11.528498     -3.405168      5.220387
  C     -11.313648     -2.941902      6.522194
  C     -10.073665     -3.154870      7.125618
  C      -9.057997     -3.831181      6.441144
  C      -3.532130     -6.406259      8.067584
  N      -3.404123     -4.973694      7.820366
  C      -2.524999     -4.570040      6.715249
  C      -1.032933     -4.724779      7.102022
  C      -0.606375     -3.734536      8.149790
  C      -0.573431     -4.060505      9.510589
  C      -0.195570     -3.113427     10.465306
  C       0.153125     -1.818768     10.075066
  C       0.118268     -1.478860      8.719717
  C      -0.258409     -2.429985      7.769957
  H       0.324539     -3.819387      2.644093
  H       0.987911     -2.983732      4.075587
  H       0.793912     -2.102257      2.556531
  H      -1.309136     -3.149026      4.306376
  H      -2.817878     -1.682161      3.039590
  H      -0.825575     -2.390052      0.837348
  H      -1.025945     -0.823928      1.621156
  H      -3.532635      0.128874      1.603788
  H      -5.361215      0.671874      0.021989
  H      -5.541743     -0.541127     -2.151097
  H      -3.858587     -2.291213     -2.727390
  H      -2.036359     -2.833837     -1.130814
  H      -7.092592     -7.486451      7.292553
  H      -8.497819     -6.711084      6.546170
  H      -7.422349     -7.733398      5.557139
  H      -5.635929     -6.010339      6.274745
  H      -6.581767     -3.954321      5.204872
  H      -8.138122     -4.600376      3.343936
  H      -8.525318     -6.084436      4.204689
  H     -10.686009     -4.426246      3.519873
  H     -12.494379     -3.248016      4.736848
  H     -12.107928     -2.420286      7.059195
  H      -9.892719     -2.802140      8.143669
  H      -8.104311     -4.022813      6.937665
  H      -2.563002     -6.832870      8.366390
  H      -3.898652     -6.991907      7.197304
  H      -4.233854     -6.563546      8.897542
  H      -4.336167     -4.592261      7.633728
  H      -2.684210     -3.487356      6.627111
  H      -0.442333     -4.552230      6.190697
  H      -0.812614     -5.747614      7.435975
  H      -0.848338     -5.069035      9.827264
  H      -0.171534     -3.387265     11.521757
  H       0.457474     -1.079631     10.819045
  H       0.394154     -0.472156      8.400915
  H      -0.277738     -2.153557      6.710690
  N      -4.327543     -2.461937      5.141649
  H      -4.933165     -1.760900      4.672924
  H      -3.444753     -1.971795      5.325031
  H      -4.742880     -2.621344      6.064086
  N      -5.545555     -2.627460      2.541566
  N      -5.903622     -1.601037      2.830638
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.296281068042
  N      -2.736054     -3.668507      2.507364
  C      -2.426102     -4.599926      1.421294
  C      -2.306449     -6.011623      1.989046
  N      -3.400028     -6.277064      2.975637
  C      -4.639626     -6.781164      2.325890
  C      -5.816471     -6.633990      3.285662
  N      -5.736529     -5.325824      3.928903
  Mo     -3.953850     -4.396933      3.944487
  N      -2.817614     -5.144441      5.395530
  C      -2.109783     -6.399358      5.070926
  C      -2.926356     -7.188472      4.060289
  H      -1.949423     -7.036971      5.955646
  H      -1.101221     -6.191779      4.658658
  H      -3.813300     -7.601002      4.560211
  H      -2.347799     -8.029404      3.634983
  H      -6.749770     -6.761519      2.703913
  H      -5.802459     -7.460732      4.024396
  H      -4.802560     -6.157600      1.435382
  H      -4.517679     -7.831118      1.996739
  H      -1.472883     -4.369172      0.916106
  H      -3.207552     -4.564476      0.636869
  H      -1.356119     -6.099689      2.532145
  H      -2.324438     -6.781439      1.196663
  C       0.336444     -2.928606      3.162068
  N      -0.955628     -2.432086      3.644797
  C      -2.059815     -2.392639      2.628451
  C      -1.569222     -1.742364      1.319774
  C      -2.680931     -1.395866      0.362909
  C      -3.607377     -0.392986      0.674914
  C      -4.646377     -0.076001     -0.200772
  C      -4.772757     -0.755422     -1.415317
  C      -3.846430     -1.746385     -1.748904
  C      -2.811271     -2.060602     -0.865222
  C      -7.449911     -6.994966      6.359616
  N      -6.628066     -5.810194      6.161408
  C      -6.757888     -5.012301      4.921137
  C      -8.181636     -5.029989      4.342128
  C      -9.239639     -4.287172      5.128544
  C     -10.485348     -4.043281      4.527835
  C     -11.499334     -3.371958      5.210715
  C     -11.285506     -2.920020      6.516354
  C     -10.049649     -3.148467      7.123505
  C      -9.037823     -3.828891      6.437332
  C      -3.519935     -6.426713      8.056916
  N      -3.402815     -4.992523      7.817984
  C      -2.524762     -4.572756      6.717263
  C      -1.031840     -4.711888      7.111887
  C      -0.619718     -3.715695      8.160618
  C      -0.620504     -4.032743      9.524084
  C      -0.258301     -3.081827     10.479957
  C       0.108224     -1.791900     10.087775
  C       0.107580     -1.460984      8.729767
  C      -0.253780     -2.416146      7.778286
  H       0.287483     -3.896578      2.621746
  H       1.001709     -3.057468      4.026671
  H       0.808626     -2.194488      2.496749
  H      -1.289780     -3.140571      4.311220
  H      -2.797085     -1.685965      3.048712
  H      -0.838483     -2.389682      0.814583
  H      -1.026011     -0.827032      1.609327
  H      -3.515796      0.143411      1.622534
  H      -5.364081      0.700882      0.068781
  H      -5.589687     -0.514371     -2.098303
  H      -3.930899     -2.279929     -2.698516
  H      -2.089097     -2.836695     -1.129344
  H      -7.104355     -7.500650      7.272848
  H      -8.500635     -6.712068      6.527615
  H      -7.429702     -7.734964      5.535128
  H      -5.634084     -6.026244      6.270956
  H      -6.556220     -3.964822      5.206996
  H      -8.108964     -4.581916      3.338781
  H      -8.515576     -6.067873      4.182656
  H     -10.659314     -4.387994      3.505823
  H     -12.462246     -3.202909      4.725209
  H     -12.077900     -2.395912      7.053900
  H      -9.869815     -2.805498      8.145650
  H      -8.087817     -4.033922      6.935892
  H      -2.545727     -6.845178      8.351300
  H      -3.884370     -7.011497      7.185042
  H      -4.215452     -6.595225      8.889516
  H      -4.335386     -4.612116      7.638303
  H      -2.699538     -3.492507      6.633062
  H      -0.436236     -4.537645      6.203691
  H      -0.807071     -5.733360      7.448226
  H      -0.909179     -5.037622      9.841057
  H      -0.260357     -3.348610     11.538442
  H       0.399812     -1.049328     10.832363
  H       0.398136     -0.458100      8.410587
  H      -0.244244     -2.149413      6.716687
  N      -4.330835     -2.465519      5.140926
  H      -4.928614     -1.764259      4.664547
  H      -3.450450     -1.979832      5.341113
  H      -4.761941     -2.626387      6.055479
  N      -5.555247     -2.641656      2.531234
  N      -5.925519     -1.620727      2.825119
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.296771901978
  N      -2.738376     -3.670653      2.493689
  C      -2.439939     -4.609134      1.410046
  C      -2.301270     -6.015121      1.987147
  N      -3.386037     -6.280643      2.981332
  C      -4.624060     -6.796668      2.336446
  C      -5.800857     -6.644941      3.294712
  N      -5.716943     -5.334214      3.931141
  Mo     -3.938260     -4.401686      3.942148
  N      -2.799645     -5.143440      5.394525
  C      -2.087543     -6.396483      5.071071
  C      -2.905776     -7.189211      4.065540
  H      -1.919294     -7.030433      5.956872
  H      -1.081859     -6.183466      4.653746
  H      -3.792935     -7.597697      4.569064
  H      -2.330769     -8.030723      3.638250
  H      -6.734720     -6.772794      2.714226
  H      -5.788244     -7.468365      4.037272
  H      -4.790420     -6.177772      1.443994
  H      -4.496454     -7.847810      2.015767
  H      -1.498144     -4.374492      0.886220
  H      -3.237564     -4.585991      0.642877
  H      -1.346570     -6.087191      2.525983
  H      -2.316599     -6.793311      1.202985
  C       0.339318     -3.003043      3.119220
  N      -0.925461     -2.452198      3.614416
  C      -2.045054     -2.403402      2.619727
  C      -1.569967     -1.745943      1.308340
  C      -2.696483     -1.391458      0.373820
  C      -3.606104     -0.379475      0.704754
  C      -4.659416     -0.051523     -0.149373
  C      -4.817377     -0.729482     -1.360917
  C      -3.908395     -1.729476     -1.713290
  C      -2.858568     -2.054443     -0.851499
  C      -7.452132     -6.999356      6.344751
  N      -6.624138     -5.817251      6.158856
  C      -6.741376     -5.016001      4.920692
  C      -8.161573     -5.019876      4.334516
  C      -9.220995     -4.276226      5.118325
  C     -10.460996     -4.018619      4.510313
  C     -11.474377     -3.343150      5.190748
  C     -11.265260     -2.901509      6.500707
  C     -10.035083     -3.142375      7.114229
  C      -9.023994     -3.826276      6.430438
  C      -3.502452     -6.443972      8.045149
  N      -3.393516     -5.008172      7.814358
  C      -2.516843     -4.575333      6.717534
  C      -1.024152     -4.701436      7.121297
  C      -0.628357     -3.698353      8.170316
  C      -0.668647     -4.004273      9.536037
  C      -0.328066     -3.047483     10.493874
  C       0.056975     -1.763276     10.100309
  C       0.097858     -1.444223      8.740280
  C      -0.242562     -2.404902      7.786268
  H       0.247992     -3.978766      2.599788
  H       1.014039     -3.139552      3.974044
  H       0.825050     -2.299769      2.431451
  H      -1.263890     -3.126807      4.312560
  H      -2.770992     -1.695032      3.056930
  H      -0.849945     -2.391485      0.786207
  H      -1.020907     -0.834099      1.594694
  H      -3.488622      0.156051      1.650276
  H      -5.363087      0.732405      0.135207
  H      -5.645316     -0.480170     -2.026635
  H      -4.017524     -2.261786     -2.660621
  H      -2.149697     -2.837285     -1.130099
  H      -7.116684     -7.512006      7.257523
  H      -8.502857     -6.712239      6.506792
  H      -7.429880     -7.733969      5.515813
  H      -5.632224     -6.038326      6.273645
  H      -6.532099     -3.970881      5.208552
  H      -8.078881     -4.565658      3.334527
  H      -8.501665     -6.053602      4.162501
  H     -10.630873     -4.354924      3.484941
  H     -12.432799     -3.162530      4.699766
  H     -12.057336     -2.374438      7.035903
  H      -9.859565     -2.805690      8.138918
  H      -8.077874     -4.041140      6.931732
  H      -2.524540     -6.855283      8.337096
  H      -3.864720     -7.027583      7.171599
  H      -4.192973     -6.622530      8.879981
  H      -4.326383     -4.627927      7.640854
  H      -2.705345     -3.497633      6.635905
  H      -0.421524     -4.527419      6.216490
  H      -0.799100     -5.722714      7.460989
  H      -0.972878     -5.004389      9.852039
  H      -0.362131     -3.305005     11.554078
  H       0.329359     -1.015266     10.846555
  H       0.403266     -0.445789      8.421613
  H      -0.200202     -2.150381      6.722949
  N      -4.331799     -2.465070      5.137404
  H      -4.932835     -1.772142      4.651381
  H      -3.455032     -1.973572      5.345657
  H      -4.769940     -2.628253      6.048995
  N      -5.562780     -2.657881      2.524725
  N      -5.945368     -1.642536      2.822880
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.297199377092
  N      -2.740623     -3.673850      2.481128
  C      -2.454492     -4.617639      1.399418
  C      -2.296736     -6.017908      1.984799
  N      -3.372683     -6.283923      2.986436
  C      -4.609222     -6.811381      2.347411
  C      -5.785597     -6.655074      3.305049
  N      -5.698780     -5.341862      3.934854
  Mo     -3.923959     -4.404597      3.941041
  N      -2.782582     -5.140622      5.393993
  C      -2.065357     -6.390004      5.070368
  C      -2.884682     -7.187874      4.070374
  H      -1.889661     -7.020759      5.956882
  H      -1.062742     -6.171092      4.648586
  H      -3.770281     -7.594462      4.578333
  H      -2.311365     -8.029121      3.641782
  H      -6.720281     -6.783764      2.726309
  H      -5.773642     -7.475021      4.051793
  H      -4.780027     -6.198417      1.452041
  H      -4.476003     -7.863982      2.035520
  H      -1.525578     -4.378748      0.855404
  H      -3.267884     -4.606755      0.649487
  H      -1.337910     -6.073001      2.519361
  H      -2.307702     -6.803553      1.208114
  C       0.339429     -3.076615      3.080338
  N      -0.896527     -2.471023      3.584283
  C      -2.030114     -2.414466      2.610123
  C      -1.569774     -1.751331      1.296067
  C      -2.710445     -1.387428      0.383333
  C      -3.602412     -0.365169      0.732524
  C      -4.668077     -0.025180     -0.099998
  C      -4.857798     -0.701913     -1.307750
  C      -3.967964     -1.712404     -1.677834
  C      -2.904650     -2.048822     -0.838024
  C      -7.454325     -7.001578      6.331008
  N      -6.622217     -5.820817      6.157274
  C      -6.727656     -5.018281      4.919596
  C      -8.143915     -5.011345      4.325815
  C      -9.205289     -4.267162      5.106237
  C     -10.439270     -3.998658      4.491265
  C     -11.452856     -3.319809      5.168244
  C     -11.249779     -2.886426      6.481491
  C     -10.025652     -3.139321      7.102697
  C      -9.014118     -3.825699      6.422240
  C      -3.487765     -6.458308      8.036611
  N      -3.384837     -5.021511      7.812899
  C      -2.508601     -4.575728      6.719263
  C      -1.016441     -4.691573      7.131106
  C      -0.633727     -3.682564      8.178740
  C      -0.708133     -3.979722      9.545532
  C      -0.385622     -3.018373     10.504518
  C       0.014301     -1.737902     10.110475
  C       0.090860     -1.428050      8.750053
  C      -0.230363     -2.393682      7.794194
  H       0.205259     -4.061071      2.587116
  H       1.026820     -3.217273      3.925835
  H       0.835070     -2.405790      2.365872
  H      -1.238605     -3.109353      4.313623
  H      -2.744941     -1.704784      3.063520
  H      -0.861652     -2.397277      0.758234
  H      -1.013406     -0.843327      1.579279
  H      -3.460739      0.168756      1.675429
  H      -5.357196      0.766289      0.198927
  H      -5.696294     -0.443988     -1.956709
  H      -4.102264     -2.243993     -2.622404
  H      -2.210294     -2.839383     -1.130972
  H      -7.128746     -7.518884      7.243722
  H      -8.505287     -6.711870      6.485611
  H      -7.426926     -7.732002      5.499048
  H      -5.632451     -6.047429      6.277913
  H      -6.512610     -3.974745      5.208183
  H      -8.052350     -4.551658      3.329071
  H      -8.488410     -6.041685      4.143124
  H     -10.603867     -4.326875      3.462134
  H     -12.406277     -3.128182      4.670797
  H     -12.042031     -2.356129      7.013408
  H      -9.855342     -2.808510      8.130029
  H      -8.071904     -4.049182      6.926838
  H      -2.507090     -6.864893      8.326904
  H      -3.849387     -7.040497      7.162262
  H      -4.174299     -6.643826      8.872769
  H      -4.318212     -4.641438      7.644389
  H      -2.709329     -3.499140      6.640951
  H      -0.407996     -4.521641      6.229995
  H      -0.793173     -5.710679      7.476670
  H      -1.025452     -4.976652      9.859777
  H      -0.446554     -3.269086     11.565136
  H       0.269625     -0.985370     10.857814
  H       0.407973     -0.432223      8.432427
  H      -0.160222     -2.148588      6.730481
  N      -4.334185     -2.464689      5.134348
  H      -4.934162     -1.776927      4.641919
  H      -3.462049     -1.972028      5.353474
  H      -4.783295     -2.629985      6.039952
  N      -5.571075     -2.673402      2.521464
  N      -5.965177     -1.664132      2.825691
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.297570684194
  N      -2.740584     -3.679471      2.469057
  C      -2.466408     -4.627889      1.389171
  C      -2.291027     -6.023086      1.981459
  N      -3.358390     -6.289061      2.990827
  C      -4.594191     -6.826688      2.358647
  C      -5.769082     -6.665444      3.316958
  N      -5.679565     -5.349418      3.939637
  Mo     -3.908559     -4.408777      3.940066
  N      -2.763040     -5.137831      5.392128
  C      -2.040731     -6.383549      5.068525
  C      -2.861683     -7.187830      4.074715
  H      -1.857983     -7.011072      5.955940
  H      -1.041199     -6.159568      4.641913
  H      -3.744420     -7.594035      4.588111
  H      -2.288964     -8.028670      3.645164
  H      -6.705229     -6.795728      2.741040
  H      -5.756461     -7.481413      4.068325
  H      -4.770160     -6.220584      1.459665
  H      -4.456261     -7.880910      2.055447
  H      -1.550464     -4.385231      0.825459
  H      -3.294278     -4.628017      0.655314
  H      -1.328147     -6.063147      2.510734
  H      -2.298482     -6.815163      1.211314
  C       0.337451     -3.158318      3.042023
  N      -0.864259     -2.494105      3.552238
  C      -2.012346     -2.428676      2.599596
  C      -1.568372     -1.760264      1.282081
  C      -2.724750     -1.383126      0.395715
  C      -3.595967     -0.350811      0.767955
  C      -4.678466      0.001687     -0.037195
  C      -4.905800     -0.671597     -1.240489
  C      -4.037452     -1.691814     -1.633130
  C      -2.957236     -2.041138     -0.820765
  C      -7.459828     -7.003274      6.316065
  N      -6.620886     -5.824451      6.155891
  C      -6.713171     -5.019955      4.918590
  C      -8.124964     -5.002747      4.315939
  C      -9.188576     -4.257436      5.092037
  C     -10.415925     -3.977433      4.468706
  C     -11.430336     -3.295081      5.141126
  C     -11.234639     -2.870429      6.458179
  C     -10.017253     -3.135239      7.087782
  C      -9.004563     -3.824159      6.411718
  C      -3.469129     -6.470348      8.025245
  N      -3.373074     -5.032386      7.808570
  C      -2.497675     -4.575184      6.719426
  C      -1.006513     -4.679833      7.139444
  C      -0.639984     -3.664627      8.186551
  C      -0.751558     -3.950543      9.553651
  C      -0.449796     -2.983013     10.513208
  C      -0.033597     -1.707833     10.118875
  C       0.081724     -1.409812      8.758882
  C      -0.218499     -2.381489      7.802197
  H       0.155682     -4.149196      2.579421
  H       1.036278     -3.303595      3.877549
  H       0.842517     -2.526178      2.299759
  H      -1.208481     -3.092389      4.312965
  H      -2.714455     -1.717507      3.070086
  H      -0.876171     -2.407922      0.726195
  H      -1.000746     -0.858573      1.561254
  H      -3.424509      0.180643      1.707774
  H      -5.350396      0.800801      0.279738
  H      -5.755659     -0.402514     -1.868534
  H      -4.200321     -2.219809     -2.574567
  H      -2.279443     -2.838956     -1.132036
  H      -7.145752     -7.527025      7.229331
  H      -8.511050     -6.709034      6.461708
  H      -7.427673     -7.729443      5.480739
  H      -5.633606     -6.058257      6.283139
  H      -6.492573     -3.977994      5.208487
  H      -8.024095     -4.538028      3.322427
  H      -8.473374     -6.029889      4.123627
  H     -10.574107     -4.298039      3.436135
  H     -12.378090     -3.092622      4.636520
  H     -12.027412     -2.336842      6.986254
  H      -9.853051     -2.809920      8.117309
  H      -8.066923     -4.055907      6.920322
  H      -2.485844     -6.872096      8.314365
  H      -3.829067     -7.051398      7.149246
  H      -4.152679     -6.663787      8.862261
  H      -4.307527     -4.653557      7.644592
  H      -2.709466     -3.500666      6.643632
  H      -0.392044     -4.510930      6.241434
  H      -0.782485     -5.697707      7.490522
  H      -1.082775     -4.943139      9.866151
  H      -0.540169     -3.224858     11.573708
  H       0.203555     -0.949992     10.866735
  H       0.411891     -0.418221      8.442028
  H      -0.118337     -2.147110      6.738748
  N      -4.334702     -2.466009      5.130751
  H      -4.938564     -1.786662      4.631226
  H      -3.467347     -1.966555      5.355598
  H      -4.789503     -2.634784      6.033390
  N      -5.577867     -2.689592      2.517780
  N      -5.982942     -1.686531      2.827361
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.297894736393
  N      -2.741080     -3.683133      2.460752
  C      -2.479857     -4.633917      1.381170
  C      -2.287941     -6.025285      1.977091
  N      -3.345803     -6.292670      2.994719
  C      -4.581701     -6.839495      2.370995
  C      -5.753932     -6.674671      3.332191
  N      -5.662836     -5.355955      3.948294
  Mo     -3.895062     -4.410391      3.942123
  N      -2.744204     -5.134482      5.391717
  C      -2.015915     -6.374941      5.064913
  C      -2.838463     -7.185826      4.077557
  H      -1.824519     -7.000621      5.951780
  H      -1.020387     -6.144620      4.632582
  H      -3.716611     -7.593624      4.597335
  H      -2.265085     -8.025251      3.646595
  H      -6.692250     -6.807338      2.760369
  H      -5.738479     -7.487165      4.087794
  H      -4.764338     -6.240425      1.468524
  H      -4.439427     -7.895329      2.075741
  H      -1.577445     -4.387084      0.798107
  H      -3.321426     -4.642816      0.662844
  H      -1.320985     -6.052102      2.500078
  H      -2.292438     -6.821831      1.211621
  C       0.333014     -3.231485      3.006849
  N      -0.835249     -2.513009      3.522159
  C      -1.996901     -2.439212      2.590787
  C      -1.567971     -1.767208      1.270111
  C      -2.737654     -1.378326      0.405655
  C      -3.590108     -0.335176      0.794765
  C      -4.684616      0.028569      0.012082
  C      -4.944463     -0.643974     -1.185082
  C      -4.096742     -1.675311     -1.593594
  C      -3.003507     -2.035643     -0.803969
  C      -7.464641     -7.001952      6.306515
  N      -6.622194     -5.823060      6.159088
  C      -6.702418     -5.019824      4.919547
  C      -8.109497     -4.996397      4.307440
  C      -9.176453     -4.249362      5.077292
  C     -10.396899     -3.959692      4.444245
  C     -11.413179     -3.274604      5.110826
  C     -11.226458     -2.857314      6.431659
  C     -10.016312     -3.131528      7.070328
  C      -9.001127     -3.822229      6.400151
  C      -3.451826     -6.483183      8.015173
  N      -3.360307     -5.044022      7.807252
  C      -2.485551     -4.575044      6.721903
  C      -0.995350     -4.671951      7.148791
  C      -0.640960     -3.651543      8.194224
  C      -0.782094     -3.929595      9.560558
  C      -0.498703     -2.957240     10.520467
  C      -0.071878     -1.684741     10.127024
  C       0.074799     -1.395083      8.768700
  C      -0.206230     -2.371845      7.811401
  H       0.106115     -4.228129      2.578103
  H       1.045638     -3.379212      3.831156
  H       0.842206     -2.637256      2.235299
  H      -1.178563     -3.070796      4.312836
  H      -2.687280     -1.726914      3.076723
  H      -0.889729     -2.417806      0.700064
  H      -0.990483     -0.870619      1.544935
  H      -3.394672      0.195514      1.730272
  H      -5.340984      0.835713      0.341975
  H      -5.804092     -0.365951     -1.796223
  H      -4.285980     -2.203554     -2.530633
  H      -2.342179     -2.842171     -1.128751
  H      -7.161914     -7.528994      7.221437
  H      -8.516569     -6.705611      6.440892
  H      -7.423911     -7.725761      5.469724
  H      -5.637221     -6.062849      6.291539
  H      -6.478909     -3.978345      5.209012
  H      -8.000105     -4.528766      3.316268
  H      -8.460033     -6.021541      4.108769
  H     -10.547431     -4.274109      3.408470
  H     -12.354659     -3.063024      4.598229
  H     -12.020387     -2.321190      6.955275
  H      -9.859343     -2.810807      8.102180
  H      -8.068057     -4.060646      6.914098
  H      -2.466938     -6.882654      8.302659
  H      -3.811071     -7.061019      7.137016
  H      -4.133355     -6.683707      8.852066
  H      -4.295724     -4.665743      7.648228
  H      -2.706838     -3.501749      6.649888
  H      -0.375648     -4.508108      6.253701
  H      -0.773082     -5.687283      7.507748
  H      -1.123103     -4.919785      9.870489
  H      -0.612705     -3.193158     11.579894
  H       0.148419     -0.922403     10.875427
  H       0.413357     -0.405466      8.453265
  H      -0.083171     -2.144178      6.749248
  N      -4.335695     -2.465990      5.128871
  H      -4.944975     -1.795860      4.624906
  H      -3.473581     -1.958522      5.355783
  H      -4.793309     -2.637794      6.029549
  N      -5.586862     -2.708883      2.516633
  N      -6.005539     -1.712730      2.830596
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.298239552340
  N      -2.737423     -3.686515      2.465437
  C      -2.493950     -4.634400      1.381934
  C      -2.295217     -6.027054      1.973335
  N      -3.343364     -6.296932      2.999077
  C      -4.583823     -6.844965      2.386180
  C      -5.749989     -6.676269      3.354629
  N      -5.655448     -5.355605      3.966110
  Mo     -3.886276     -4.410627      3.954058
  N      -2.727118     -5.137231      5.393275
  C      -1.995855     -6.372895      5.057263
  C      -2.824299     -7.188099      4.077059
  H      -1.794180     -6.999849      5.941312
  H      -1.005429     -6.137505      4.616302
  H      -3.696095     -7.598772      4.605009
  H      -2.251327     -8.025963      3.642166
  H      -6.692137     -6.810019      2.789448
  H      -5.729803     -7.486572      4.112927
  H      -4.773794     -6.250100      1.482199
  H      -4.442813     -7.902348      2.095214
  H      -1.602945     -4.385966      0.782178
  H      -3.346991     -4.643288      0.676098
  H      -1.324425     -6.049861      2.489212
  H      -2.301127     -6.822881      1.207108
  C       0.342591     -3.251106      2.992746
  N      -0.816595     -2.519574      3.511376
  C      -1.984882     -2.443534      2.591268
  C      -1.564886     -1.774844      1.266069
  C      -2.743343     -1.377953      0.416104
  C      -3.582314     -0.326676      0.815937
  C      -4.686557      0.042967      0.049414
  C      -4.970239     -0.630423     -1.142146
  C      -4.136878     -1.669479     -1.560086
  C      -3.034034     -2.036548     -0.786510
  C      -7.471786     -6.984282      6.317417
  N      -6.632173     -5.800384      6.176139
  C      -6.703166     -5.010215      4.925106
  C      -8.105404     -4.995237      4.302302
  C      -9.179317     -4.246485      5.060514
  C     -10.392487     -3.955105      4.414721
  C     -11.414068     -3.267513      5.070081
  C     -11.240611     -2.850323      6.392674
  C     -10.038356     -3.128148      7.044673
  C      -9.016656     -3.819564      6.385522
  C      -3.427948     -6.509522      7.997303
  N      -3.334910     -5.068091      7.810035
  C      -2.467377     -4.583549      6.726117
  C      -0.975936     -4.674081      7.151835
  C      -0.629205     -3.648356      8.194398
  C      -0.786413     -3.920626      9.560570
  C      -0.518360     -2.943276     10.519895
  C      -0.089797     -1.671820     10.125885
  C       0.075438     -1.388576      8.768642
  C      -0.190563     -2.370039      7.811969
  H       0.104462     -4.249951      2.575287
  H       1.061246     -3.398635      3.811285
  H       0.849412     -2.667432      2.211644
  H      -1.153103     -3.054552      4.319420
  H      -2.670147     -1.730250      3.083004
  H      -0.897520     -2.430770      0.689359
  H      -0.979478     -0.881887      1.534431
  H      -3.368999      0.205729      1.747368
  H      -5.330785      0.856845      0.387103
  H      -5.834665     -0.344660     -1.742277
  H      -4.343246     -2.196706     -2.493214
  H      -2.384755     -2.849160     -1.120532
  H      -7.180207     -7.505563      7.239416
  H      -8.526615     -6.690826      6.433624
  H      -7.414348     -7.712651      5.485859
  H      -5.648127     -6.043833      6.310407
  H      -6.483817     -3.965387      5.206390
  H      -7.991430     -4.532433      3.309292
  H      -8.451833     -6.022779      4.107636
  H     -10.532057     -4.268595      3.376905
  H     -12.348269     -3.051502      4.546150
  H     -12.038143     -2.311123      6.907654
  H      -9.891652     -2.806709      8.077548
  H      -8.087747     -4.057751      6.907167
  H      -2.442688     -6.915447      8.273935
  H      -3.793929     -7.073638      7.113408
  H      -4.105699     -6.720557      8.835482
  H      -4.270999     -4.686184      7.666613
  H      -2.698424     -3.511880      6.661791
  H      -0.355289     -4.515741      6.255590
  H      -0.753887     -5.687446      7.519411
  H      -1.130154     -4.909923      9.869182
  H      -0.646341     -3.174989     11.578732
  H       0.116800     -0.905501     10.874244
  H       0.415957     -0.400112      8.452872
  H      -0.055616     -2.146327      6.750379
  N      -4.332135     -2.457648      5.127302
  H      -4.951861     -1.802669      4.617247
  H      -3.473738     -1.938428      5.342175
  H      -4.783675     -2.625672      6.031807
  N      -5.589873     -2.743918      2.510404
  N      -6.036596     -1.755072      2.805853
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.298590784796
  N      -2.729720     -3.690852      2.471227
  C      -2.499506     -4.633832      1.384421
  C      -2.297354     -6.028512      1.969267
  N      -3.336515     -6.300683      3.001391
  C      -4.581821     -6.848494      2.401830
  C      -5.740312     -6.678282      3.379626
  N      -5.648506     -5.354740      3.986078
  Mo     -3.878268     -4.403899      3.965211
  N      -2.713473     -5.133099      5.397406
  C      -1.977662     -6.363387      5.053601
  C      -2.806612     -7.184754      4.078405
  H      -1.768343     -6.992456      5.934958
  H      -0.991146     -6.123225      4.607354
  H      -3.671243     -7.601636      4.613001
  H      -2.228776     -8.020211      3.644461
  H      -6.686334     -6.817681      2.822601
  H      -5.710754     -7.485590      4.141046
  H      -4.780445     -6.258736      1.496012
  H      -4.443945     -7.907694      2.114338
  H      -1.616522     -4.383223      0.773715
  H      -3.358499     -4.640885      0.684224
  H      -1.323549     -6.049296      2.479197
  H      -2.303987     -6.822364      1.200807
  C       0.342970     -3.294750      2.976685
  N      -0.791866     -2.524339      3.492602
  C      -1.969906     -2.447157      2.589128
  C      -1.562937     -1.781348      1.259589
  C      -2.750828     -1.372553      0.428141
  C      -3.571042     -0.310831      0.840413
  C      -4.686166      0.067531      0.094882
  C      -5.001594     -0.607722     -1.087810
  C      -4.189538     -1.659025     -1.515962
  C      -3.074813     -2.034714     -0.762953
  C      -7.480835     -6.968705      6.327630
  N      -6.645731     -5.778175      6.193349
  C      -6.707537     -5.001945      4.929560
  C      -8.105191     -5.000014      4.294566
  C      -9.190046     -4.249086      5.035815
  C     -10.394198     -3.959730      4.370944
  C     -11.425984     -3.271978      5.009183
  C     -11.273286     -2.853294      6.334232
  C     -10.081266     -3.129571      7.004521
  C      -9.047511     -3.819008      6.362423
  C      -3.412526     -6.513871      7.989368
  N      -3.312646     -5.070831      7.815832
  C      -2.447270     -4.581202      6.731604
  C      -0.956141     -4.676758      7.155528
  C      -0.607328     -3.648073      8.194116
  C      -0.769393     -3.917233      9.560723
  C      -0.507565     -2.937384     10.518752
  C      -0.079300     -1.666332     10.123494
  C       0.093828     -1.386629      8.766658
  C      -0.165958     -2.370715      7.811336
  H       0.076978     -4.301065      2.592705
  H       1.075887     -3.434675      3.785610
  H       0.845512     -2.742536      2.169209
  H      -1.128032     -3.019586      4.324698
  H      -2.650129     -1.737010      3.091719
  H      -0.910768     -2.444689      0.674624
  H      -0.964983     -0.894812      1.521107
  H      -3.335640      0.221297      1.765447
  H      -5.314150      0.890437      0.441128
  H      -5.872631     -0.312246     -1.673966
  H      -4.421636     -2.188330     -2.442675
  H      -2.443174     -2.856650     -1.107552
  H      -7.202142     -7.482021      7.258247
  H      -8.539031     -6.679888      6.421115
  H      -7.401525     -7.702950      5.503519
  H      -5.663379     -6.026919      6.330696
  H      -6.497631     -3.952730      5.202230
  H      -7.986837     -4.545563      3.298555
  H      -8.445158     -6.031582      4.109496
  H     -10.517175     -4.274410      3.330888
  H     -12.350549     -3.055742      4.469761
  H     -12.077893     -2.313186      6.836878
  H      -9.950331     -2.805551      8.038346
  H      -8.124388     -4.052349      6.896871
  H      -2.430660     -6.929891      8.261254
  H      -3.781876     -7.065988      7.100414
  H      -4.093566     -6.727625      8.824848
  H      -4.249117     -4.687726      7.676976
  H      -2.677450     -3.508208      6.672257
  H      -0.335950     -4.529495      6.257957
  H      -0.740581     -5.687496      7.533024
  H      -1.114592     -4.906002      9.869428
  H      -0.641303     -3.167330     11.577366
  H       0.120754     -0.898382     10.871776
  H       0.435286     -0.398931      8.449168
  H      -0.027273     -2.147727      6.749822
  N      -4.331253     -2.453913      5.123696
  H      -4.968540     -1.813783      4.618372
  H      -3.481674     -1.916489      5.322899
  H      -4.769371     -2.622741      6.034259
  N      -5.595540     -2.769447      2.518111
  N      -6.053621     -1.784910      2.810046
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.298835127869
  N      -2.722318     -3.695127      2.482569
  C      -2.495923     -4.632956      1.391013
  C      -2.299591     -6.032542      1.967921
  N      -3.335559     -6.306560      3.003910
  C      -4.585893     -6.849855      2.412683
  C      -5.737258     -6.682419      3.399236
  N      -5.650487     -5.356425      4.003416
  Mo     -3.877751     -4.405659      3.977694
  N      -2.704479     -5.133649      5.399701
  C      -1.966261     -6.361312      5.051114
  C      -2.797934     -7.187867      4.079760
  H      -1.750479     -6.990864      5.930761
  H      -0.983049     -6.118810      4.599267
  H      -3.656392     -7.611636      4.619278
  H      -2.215784     -8.021100      3.645475
  H      -6.686021     -6.828985      2.848841
  H      -5.697532     -7.488548      4.161447
  H      -4.790065     -6.260432      1.507197
  H      -4.452889     -7.909573      2.121752
  H      -1.611726     -4.383776      0.780987
  H      -3.352903     -4.633476      0.687069
  H      -1.323753     -6.063380      2.472859
  H      -2.313540     -6.821101      1.193965
  C       0.348376     -3.302541      2.981160
  N      -0.781810     -2.526020      3.494359
  C      -1.964758     -2.448820      2.596208
  C      -1.565681     -1.783320      1.264124
  C      -2.757963     -1.366287      0.441667
  C      -3.567276     -0.297987      0.858836
  C      -4.687911      0.084162      0.123035
  C      -5.018726     -0.592301     -1.054749
  C      -4.216336     -1.649277     -1.487235
  C      -3.097319     -2.029995     -0.743414
  C      -7.496723     -6.956670      6.344028
  N      -6.662568     -5.763071      6.208100
  C      -6.716863     -4.998424      4.933540
  C      -8.111180     -5.008422      4.287591
  C      -9.201534     -4.251596      5.014129
  C     -10.399106     -3.965550      4.336693
  C     -11.437324     -3.275744      4.961613
  C     -11.298552     -2.852594      6.286696
  C     -10.113294     -3.126586      6.969813
  C      -9.072304     -3.817039      6.340590
  C      -3.404845     -6.518176      7.979650
  N      -3.295983     -5.074114      7.818952
  C      -2.434246     -4.581819      6.734751
  C      -0.941873     -4.679347      7.152599
  C      -0.588461     -3.648818      8.187663
  C      -0.744624     -3.914306      9.555809
  C      -0.479529     -2.932638     10.510904
  C      -0.053183     -1.662904     10.112059
  C       0.114501     -1.386604      8.753488
  C      -0.149067     -2.372833      7.801442
  H       0.079421     -4.311853      2.608283
  H       1.086257     -3.434000      3.786626
  H       0.846702     -2.759114      2.166399
  H      -1.116595     -3.007148      4.335687
  H      -2.643363     -1.740824      3.103172
  H      -0.922088     -2.451174      0.674903
  H      -0.958297     -0.901504      1.521532
  H      -3.317808      0.237665      1.779886
  H      -5.307539      0.912348      0.472138
  H      -5.894299     -0.293009     -1.634193
  H      -4.460139     -2.179210     -2.410352
  H      -2.473790     -2.856235     -1.092545
  H      -7.225830     -7.460836      7.282790
  H      -8.556505     -6.670254      6.422059
  H      -7.404872     -7.698819      5.527846
  H      -5.680663     -6.014725      6.347693
  H      -6.513880     -3.945336      5.199497
  H      -7.989223     -4.564937      3.286677
  H      -8.447553     -6.043987      4.115492
  H     -10.511513     -4.284789      3.297233
  H     -12.356022     -3.060324      4.410984
  H     -12.107994     -2.310752      6.779582
  H      -9.992564     -2.799879      8.004188
  H      -8.153877     -4.047246      6.885144
  H      -2.426018     -6.946026      8.245004
  H      -3.780183     -7.058056      7.085115
  H      -4.088430     -6.733591      8.812345
  H      -4.232693     -4.686857      7.686270
  H      -2.662116     -3.508368      6.678335
  H      -0.325250     -4.535307      6.252105
  H      -0.724999     -5.688162      7.535264
  H      -1.088930     -4.901912      9.868386
  H      -0.609443     -3.160254     11.570648
  H       0.150287     -0.894133     10.858774
  H       0.455434     -0.400413      8.431766
  H      -0.014178     -2.150567      6.738993
  N      -4.332336     -2.455659      5.125986
  H      -4.981952     -1.825975      4.621767
  H      -3.488394     -1.905040      5.311611
  H      -4.758745     -2.623449      6.042172
  N      -5.594914     -2.796300      2.521369
  N      -6.071386     -1.816102      2.796207
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.299057647550
  N      -2.713893     -3.698699      2.491997
  C      -2.485112     -4.633906      1.397245
  C      -2.295981     -6.036626      1.968417
  N      -3.330791     -6.310405      3.006757
  C      -4.583707     -6.851990      2.421621
  C      -5.729940     -6.690378      3.414240
  N      -5.652387     -5.362290      4.015923
  Mo     -3.879352     -4.405314      3.984087
  N      -2.700527     -5.127653      5.402619
  C      -1.959412     -6.354085      5.054113
  C      -2.789149     -7.186003      4.085369
  H      -1.739741     -6.982348      5.933769
  H      -0.978000     -6.110329      4.599096
  H      -3.643593     -7.615244      4.627143
  H      -2.201085     -8.017576      3.654407
  H      -6.679812     -6.847048      2.868691
  H      -5.679385     -7.495148      4.176896
  H      -4.791613     -6.262989      1.516567
  H      -4.453859     -7.911397      2.126440
  H      -1.595114     -4.387703      0.794075
  H      -3.336479     -4.628388      0.686259
  H      -1.318580     -6.080761      2.468442
  H      -2.320230     -6.820204      1.189471
  C       0.344058     -3.326498      2.983282
  N      -0.772273     -2.527649      3.490614
  C      -1.961053     -2.450851      2.599789
  C      -1.571109     -1.784868      1.265674
  C      -2.767264     -1.357093      0.455406
  C      -3.563660     -0.283205      0.879869
  C      -4.690805      0.105354      0.156616
  C      -5.041680     -0.571794     -1.015335
  C      -4.253414     -1.636585     -1.454747
  C      -3.126693     -2.022505     -0.723337
  C      -7.512206     -6.947164      6.357214
  N      -6.678506     -5.754158      6.214842
  C      -6.726186     -5.000029      4.932542
  C      -8.116420     -5.021730      4.276925
  C      -9.211998     -4.257765      4.987749
  C     -10.402911     -3.974687      4.296043
  C     -11.448276     -3.284541      4.907954
  C     -11.324144     -2.856045      6.232969
  C     -10.145231     -3.125283      6.929145
  C      -9.097034     -3.817626      6.313787
  C      -3.407553     -6.501130      7.978731
  N      -3.290291     -5.056745      7.821504
  C      -2.426711     -4.572563      6.736373
  C      -0.934798     -4.679488      7.150495
  C      -0.570032     -3.650288      8.183899
  C      -0.709680     -3.915922      9.553464
  C      -0.431480     -2.935634     10.506380
  C      -0.007401     -1.666651     10.104920
  C       0.142866     -1.389686      8.744254
  C      -0.134988     -2.374608      7.794750
  H       0.061488     -4.341508      2.636035
  H       1.091873     -3.444665      3.782158
  H       0.837440     -2.804929      2.150226
  H      -1.109472     -2.988318      4.342727
  H      -2.635884     -1.743457      3.112300
  H      -0.937753     -2.456279      0.669524
  H      -0.952412     -0.910150      1.519300
  H      -3.299481      0.250745      1.796035
  H      -5.299762      0.939460      0.510035
  H      -5.919895     -0.265768     -1.585054
  H      -4.512769     -2.166747     -2.373347
  H      -2.513226     -2.853742     -1.077896
  H      -7.247532     -7.439701      7.303784
  H      -8.572747     -6.661681      6.422775
  H      -7.411606     -7.698582      5.550294
  H      -5.697029     -6.006692      6.356413
  H      -6.531314     -3.944409      5.193016
  H      -7.989398     -4.591985      3.271113
  H      -8.449458     -6.060446      4.119493
  H     -10.504861     -4.299105      3.256838
  H     -12.361702     -3.075894      4.348982
  H     -12.139554     -2.314698      6.716120
  H     -10.035041     -2.795152      7.963638
  H      -8.184519     -4.044279      6.870503
  H      -2.433312     -6.937353      8.244907
  H      -3.780889     -7.034187      7.079414
  H      -4.098582     -6.714834      8.806527
  H      -4.225849     -4.668050      7.684026
  H      -2.644334     -3.497712      6.677341
  H      -0.320123     -4.538681      6.248027
  H      -0.720125     -5.688315      7.535376
  H      -1.051725     -4.902746      9.870436
  H      -0.548530     -3.163824     11.567438
  H       0.208492     -0.899684     10.850320
  H       0.482293     -0.404644      8.418790
  H      -0.011908     -2.149472      6.731415
  N      -4.335253     -2.462059      5.128668
  H      -4.996033     -1.836311      4.633321
  H      -3.496447     -1.900207      5.302878
  H      -4.747982     -2.630713      6.051121
  N      -5.594444     -2.813249      2.527829
  N      -6.076050     -1.833865      2.796598
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.299245894108
  N      -2.707250     -3.702725      2.499548
  C      -2.475698     -4.637023      1.402306
  C      -2.291740     -6.042132      1.969613
  N      -3.324022     -6.315456      3.011895
  C      -4.578667     -6.859387      2.433186
  C      -5.720217     -6.704513      3.431104
  N      -5.652417     -5.373422      4.027895
  Mo     -3.881172     -4.410110      3.989079
  N      -2.693852     -5.121611      5.403798
  C      -1.948923     -6.347144      5.057609
  C      -2.777067     -7.185388      4.093004
  H      -1.722920     -6.971371      5.938352
  H      -0.970403     -6.100526      4.597782
  H      -3.628137     -7.618530      4.636924
  H      -2.184566     -8.015217      3.664270
  H      -6.670782     -6.873109      2.890291
  H      -5.658790     -7.506879      4.195382
  H      -4.791276     -6.269978      1.529485
  H      -4.449731     -7.917901      2.133595
  H      -1.580003     -4.394343      0.805972
  H      -3.323114     -4.627203      0.687207
  H      -1.312072     -6.099382      2.463039
  H      -2.328899     -6.821621      1.187026
  C       0.335739     -3.361188      2.982611
  N      -0.761245     -2.534248      3.485342
  C      -1.958845     -2.455153      2.605178
  C      -1.580815     -1.781617      1.271048
  C      -2.783250     -1.344932      0.474102
  C      -3.565549     -0.263181      0.904050
  C      -4.697136      0.132572      0.191735
  C      -5.065870     -0.545201     -0.973684
  C      -4.289709     -1.616672     -1.419314
  C      -3.159694     -2.010385     -0.698974
  C      -7.533129     -6.945052      6.365417
  N      -6.695344     -5.755540      6.218097
  C      -6.733234     -5.007438      4.931300
  C      -8.118628     -5.035536      4.263578
  C      -9.217547     -4.261655      4.957731
  C     -10.400311     -3.979841      4.253442
  C     -11.451026     -3.285781      4.851974
  C     -11.340509     -2.853342      6.177097
  C     -10.168727     -3.120434      6.885996
  C      -9.115955     -3.816596      6.282976
  C      -3.414350     -6.483254      7.978090
  N      -3.288538     -5.039028      7.821895
  C      -2.421221     -4.562106      6.736168
  C      -0.929499     -4.674416      7.148817
  C      -0.554233     -3.646052      8.180336
  C      -0.678389     -3.911606      9.551128
  C      -0.383221     -2.933490     10.501182
  C       0.042057     -1.665831     10.096391
  C       0.173813     -1.387824      8.733552
  C      -0.121701     -2.370842      7.787035
  H       0.033844     -4.380226      2.666679
  H       1.094376     -3.466557      3.771917
  H       0.823286     -2.868845      2.128831
  H      -1.098824     -2.972761      4.349618
  H      -2.627746     -1.748602      3.127073
  H      -0.955456     -2.452131      0.664830
  H      -0.953971     -0.911589      1.523491
  H      -3.283643      0.273845      1.814575
  H      -5.296314      0.972444      0.548378
  H      -5.952562     -0.237132     -1.532905
  H      -4.565531     -2.149484     -2.332546
  H      -2.556224     -2.847383     -1.057124
  H      -7.275039     -7.430057      7.318602
  H      -8.593551     -6.657345      6.421665
  H      -7.429847     -7.703572      5.564473
  H      -5.714952     -6.009080      6.363465
  H      -6.542825     -3.950219      5.188883
  H      -7.982781     -4.619978      3.252784
  H      -8.452323     -6.076115      4.118395
  H     -10.492882     -4.309671      3.215856
  H     -12.359625     -3.078670      4.282558
  H     -12.160966     -2.310669      6.650029
  H     -10.068526     -2.788845      7.921901
  H      -8.210527     -4.043907      6.852315
  H      -2.444250     -6.926338      8.246718
  H      -3.785256     -7.011360      7.075290
  H      -4.112081     -6.693428      8.800678
  H      -4.222099     -4.647872      7.677679
  H      -2.631486     -3.485553      6.672751
  H      -0.316046     -4.534637      6.246181
  H      -0.715684     -5.682850      7.533450
  H      -1.019586     -4.897534      9.873307
  H      -0.486763     -3.162114     11.563712
  H       0.273893     -0.901173     10.839395
  H       0.513337     -0.403777      8.404302
  H      -0.010773     -2.143331      6.722630
  N      -4.340462     -2.474029      5.135663
  H      -5.009217     -1.849288      4.648215
  H      -3.504773     -1.905410      5.303960
  H      -4.743005     -2.645197      6.062125
  N      -5.592656     -2.831995      2.535211
  N      -6.082729     -1.854739      2.797187
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.299415213572
  N      -2.699130     -3.707937      2.507113
  C      -2.470470     -4.642345      1.407642
  C      -2.290663     -6.049544      1.971144
  N      -3.317834     -6.320995      3.019328
  C      -4.574008     -6.869796      2.447287
  C      -5.711455     -6.719533      3.449300
  N      -5.649950     -5.385875      4.040386
  Mo     -3.880956     -4.416266      3.993451
  N      -2.683989     -5.117180      5.404311
  C      -1.936817     -6.342885      5.060123
  C      -2.765694     -7.186328      4.101861
  H      -1.703085     -6.962102      5.942208
  H      -0.961843     -6.093690      4.593392
  H      -3.615202     -7.618769      4.648839
  H      -2.172773     -8.016348      3.674085
  H      -6.662610     -6.897516      2.912735
  H      -5.642203     -7.519224      4.215723
  H      -4.791850     -6.279441      1.545717
  H      -4.444408     -7.927332      2.145136
  H      -1.571657     -4.403357      0.814364
  H      -3.318515     -4.628279      0.694230
  H      -1.307819     -6.118251      2.456235
  H      -2.342010     -6.825722      1.186132
  C       0.330830     -3.397182      2.983352
  N      -0.746428     -2.542073      3.478726
  C      -1.953386     -2.461809      2.610918
  C      -1.589846     -1.779236      1.276289
  C      -2.801111     -1.333631      0.498713
  C      -3.567478     -0.245025      0.938984
  C      -4.707335      0.159300      0.243843
  C      -5.102061     -0.518989     -0.912978
  C      -4.343014     -1.598312     -1.369309
  C      -3.202685     -1.998666     -0.667204
  C      -7.551732     -6.941294      6.374508
  N      -6.712608     -5.755776      6.221100
  C      -6.739293     -5.015636      4.929931
  C      -8.117993     -5.049719      4.248053
  C      -9.221580     -4.266195      4.922977
  C     -10.393635     -3.981030      4.200903
  C     -11.449998     -3.282461      4.784463
  C     -11.355413     -2.845294      6.109154
  C     -10.193036     -3.112132      6.834190
  C      -9.135851     -3.816173      6.247834
  C      -3.414463     -6.470413      7.973396
  N      -3.281628     -5.026005      7.821573
  C      -2.412453     -4.555055      6.734576
  C      -0.920606     -4.669265      7.146719
  C      -0.538789     -3.640161      8.176080
  C      -0.653007     -3.902076      9.547972
  C      -0.343597     -2.923608     10.493657
  C       0.086154     -1.659477     10.083323
  C       0.204979     -1.384539      8.718522
  C      -0.105838     -2.367488      7.776456
  H       0.009534     -4.421697      2.708480
  H       1.104023     -3.484119      3.761374
  H       0.807632     -2.939465      2.104132
  H      -1.081291     -2.955578      4.356262
  H      -2.614999     -1.755165      3.142658
  H      -0.973932     -2.446044      0.656229
  H      -0.957066     -0.913363      1.527435
  H      -3.265714      0.290753      1.842685
  H      -5.292800      1.005745      0.607161
  H      -5.994165     -0.204348     -1.457004
  H      -4.638492     -2.130416     -2.275957
  H      -2.611122     -2.840802     -1.032376
  H      -7.298607     -7.416659      7.332645
  H      -8.611649     -6.652624      6.424012
  H      -7.446349     -7.706786      5.580265
  H      -5.733403     -6.009138      6.370803
  H      -6.553066     -3.957037      5.183740
  H      -7.970747     -4.648901      3.232746
  H      -8.452766     -6.091576      4.112990
  H     -10.474776     -4.314255      3.162953
  H     -12.351710     -3.078933      4.205279
  H     -12.181298     -2.300032      6.569443
  H     -10.104936     -2.776762      7.869966
  H      -8.239345     -4.043271      6.830001
  H      -2.447417     -6.919315      8.241340
  H      -3.784019     -6.991646      7.066272
  H      -4.115906     -6.680464      8.793425
  H      -4.212865     -4.631752      7.674182
  H      -2.619130     -3.478230      6.666954
  H      -0.307421     -4.527693      6.243292
  H      -0.706426     -5.679102      7.528907
  H      -0.995772     -4.885271      9.876169
  H      -0.438125     -3.149026     11.557708
  H       0.331486     -0.895007     10.822396
  H       0.546754     -0.403214      8.384685
  H      -0.003635     -2.142126      6.710652
  N      -4.343002     -2.483572      5.142429
  H      -5.017410     -1.859364      4.661707
  H      -3.507600     -1.912773      5.304294
  H      -4.736708     -2.654074      6.072819
  N      -5.584023     -2.856002      2.541174
  N      -6.083925     -1.880575      2.793058
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.299545758666
  N      -2.691639     -3.713232      2.514808
  C      -2.471450     -4.647077      1.413065
  C      -2.292457     -6.056358      1.972272
  N      -3.311318     -6.326665      3.028476
  C      -4.568555     -6.884150      2.464590
  C      -5.702234     -6.736430      3.470993
  N      -5.644268     -5.399742      4.055116
  Mo     -3.878492     -4.422987      3.998699
  N      -2.669701     -5.114723      5.404374
  C      -1.919220     -6.338832      5.059549
  C      -2.751355     -7.187688      4.110638
  H      -1.673751     -6.952429      5.942106
  H      -0.950090     -6.084630      4.583092
  H      -3.599176     -7.616179      4.663098
  H      -2.161322     -8.018692      3.681987
  H      -6.654421     -6.921796      2.939110
  H      -5.627135     -7.532743      4.240735
  H      -4.793925     -6.293248      1.565585
  H      -4.435315     -7.940946      2.162893
  H      -1.574187     -4.409271      0.817135
  H      -3.325132     -4.629931      0.707231
  H      -1.305521     -6.131207      2.447968
  H      -2.355490     -6.830207      1.186109
  C       0.327499     -3.436855      2.981783
  N      -0.727230     -2.549890      3.469113
  C      -1.945089     -2.469235      2.617357
  C      -1.598980     -1.776496      1.282110
  C      -2.821736     -1.323925      0.527329
  C      -3.569690     -0.226748      0.978878
  C      -4.718822      0.186591      0.304194
  C      -5.142200     -0.491896     -0.841694
  C      -4.402249     -1.579595     -1.309381
  C      -3.252359     -1.988566     -0.628872
  C      -7.574197     -6.937032      6.379477
  N      -6.731832     -5.754420      6.225355
  C      -6.744578     -5.023293      4.929348
  C      -8.115223     -5.063429      4.232760
  C      -9.224297     -4.269954      4.885903
  C     -10.383012     -3.982063      4.145626
  C     -11.444397     -3.274706      4.710031
  C     -11.367380     -2.832749      6.034255
  C     -10.217116     -3.101279      6.777727
  C      -9.156083     -3.813524      6.209393
  C      -3.410208     -6.463604      7.966514
  N      -3.270179     -5.018918      7.821556
  C      -2.399006     -4.550898      6.732722
  C      -0.907233     -4.665075      7.146511
  C      -0.521090     -3.633302      8.171455
  C      -0.628923     -3.890568      9.544427
  C      -0.309156     -2.909976     10.485000
  C       0.123954     -1.648800     10.067910
  C       0.234084     -1.378231      8.701589
  C      -0.087128     -2.362903      7.764468
  H      -0.014709     -4.466627      2.756723
  H       1.117136     -3.504119      3.744330
  H       0.789034     -3.020550      2.073976
  H      -1.055403     -2.933299      4.362187
  H      -2.598538     -1.763183      3.160665
  H      -0.992820     -2.437753      0.646257
  H      -0.963824     -0.912290      1.532314
  H      -3.244582      0.309449      1.874283
  H      -5.289215      1.039824      0.675356
  H      -6.043426     -0.172021     -1.367725
  H      -4.721666     -2.112844     -2.207353
  H      -2.675736     -2.837601     -1.001640
  H      -7.330111     -7.406695      7.343117
  H      -8.634422     -6.646335      6.419000
  H      -7.465493     -7.707456      5.590301
  H      -5.754286     -6.008412      6.381182
  H      -6.562101     -3.962951      5.177421
  H      -7.956277     -4.678289      3.213743
  H      -8.450629     -6.106108      4.107395
  H     -10.450839     -4.319267      3.108267
  H     -12.337293     -3.068172      4.115390
  H     -12.197928     -2.281724      6.478979
  H     -10.142828     -2.761700      7.813565
  H      -8.269458     -4.043064      6.806465
  H      -2.445690     -6.918140      8.232861
  H      -3.779829     -6.976626      7.055507
  H      -4.113352     -6.674374      8.784992
  H      -4.199009     -4.619970      7.673583
  H      -2.605852     -3.473674      6.662017
  H      -0.293558     -4.524977      6.243275
  H      -0.694951     -5.675167      7.527670
  H      -0.973105     -4.871456      9.878196
  H      -0.397564     -3.131118     11.550372
  H       0.378405     -0.882777     10.802376
  H       0.577131     -0.398770      8.363244
  H       0.007759     -2.141833      6.697231
  N      -4.346757     -2.490595      5.148387
  H      -5.028561     -1.871479      4.670745
  H      -3.511672     -1.915973      5.301775
  H      -4.731408     -2.658639      6.082986
  N      -5.571337     -2.886508      2.547850
  N      -6.085254     -1.914044      2.785119
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.299655493373
  N      -2.692106     -3.712867      2.512375
  C      -2.477143     -4.647473      1.410074
  C      -2.294865     -6.057095      1.969474
  N      -3.311789     -6.328056      3.028022
  C      -4.569179     -6.888290      2.463673
  C      -5.703566     -6.737305      3.470316
  N      -5.640855     -5.400025      4.054568
  Mo     -3.873759     -4.425041      3.998558
  N      -2.663626     -5.120606      5.402531
  C      -1.914113     -6.345033      5.055933
  C      -2.750512     -7.191969      4.108325
  H      -1.667784     -6.958463      5.938278
  H      -0.945798     -6.090705      4.578294
  H      -3.599479     -7.615349      4.662884
  H      -2.165911     -8.025097      3.677090
  H      -6.656310     -6.918928      2.938196
  H      -5.631893     -7.533432      4.240918
  H      -4.796031     -6.297056      1.565227
  H      -4.433352     -7.945148      2.164563
  H      -1.584955     -4.407278      0.807765
  H      -3.335986     -4.631569      0.710397
  H      -1.307315     -6.125488      2.445343
  H      -2.353773     -6.832665      1.184992
  C       0.333798     -3.437428      2.981047
  N      -0.722569     -2.552042      3.468719
  C      -1.940363     -2.470495      2.617314
  C      -1.597355     -1.777075      1.280937
  C      -2.823178     -1.326622      0.529534
  C      -3.570185     -0.229694      0.984396
  C      -4.721428      0.184056      0.313540
  C      -5.148113     -0.493430     -0.831978
  C      -4.409262     -1.580458     -1.302663
  C      -3.257331     -1.989952     -0.626230
  C      -7.570199     -6.940501      6.377049
  N      -6.728199     -5.756328      6.227220
  C      -6.741403     -5.023528      4.931943
  C      -8.112241     -5.059914      4.235244
  C      -9.221864     -4.267649      4.889205
  C     -10.379580     -3.976540      4.147717
  C     -11.439414     -3.266026      4.711310
  C     -11.361182     -2.822679      6.034754
  C     -10.212097     -3.094389      6.779179
  C      -9.152710     -3.810672      6.212641
  C      -3.402643     -6.472719      7.963053
  N      -3.263848     -5.027811      7.821171
  C      -2.393484     -4.557175      6.731911
  C      -0.901843     -4.666233      7.147645
  C      -0.523402     -3.631844      8.170740
  C      -0.642742     -3.884510      9.543839
  C      -0.332708     -2.899820     10.483300
  C       0.101386     -1.639532     10.064304
  C       0.224054     -1.374212      8.698243
  C      -0.086301     -2.362973      7.762144
  H      -0.006599     -4.467185      2.756096
  H       1.120555     -3.504981      3.745063
  H       0.795811     -3.021638      2.074254
  H      -1.048939     -2.936916      4.361693
  H      -2.593143     -1.764370      3.160887
  H      -0.991259     -2.436086      0.642828
  H      -0.965833     -0.910029      1.530870
  H      -3.243067      0.305706      1.879991
  H      -5.290849      1.036612      0.687800
  H      -6.050727     -0.173181     -1.355365
  H      -4.730639     -2.112596     -2.200388
  H      -2.681687     -2.838619     -1.001486
  H      -7.325485     -7.414373      7.338427
  H      -8.630337     -6.649982      6.419213
  H      -7.462565     -7.707684      5.584705
  H      -5.750964     -6.010410      6.384179
  H      -6.556363     -3.963332      5.180561
  H      -7.953456     -4.670140      3.217515
  H      -8.448013     -6.102196      4.104220
  H     -10.447434     -4.313145      3.109815
  H     -12.331093     -3.056993      4.116225
  H     -12.190149     -2.267662      6.477992
  H     -10.137340     -2.751773      7.813134
  H      -8.266082     -4.039666      6.806789
  H      -2.436198     -6.926226      8.229608
  H      -3.774408     -6.985086      7.052037
  H      -4.102678     -6.684968      8.781978
  H      -4.193393     -4.626109      7.676733
  H      -2.605513     -3.480346      6.661844
  H      -0.286748     -4.526384      6.245620
  H      -0.688707     -5.675176      7.529756
  H      -0.988651     -4.864670      9.877304
  H      -0.430311     -3.116758     11.548567
  H       0.346757     -0.869838     10.797769
  H       0.568279     -0.395195      8.359680
  H       0.017003     -2.147811      6.694661
  N      -4.347011     -2.487828      5.149332
  H      -5.022634     -1.868424      4.665043
  H      -3.511068     -1.917112      5.309711
  H      -4.741280     -2.654822      6.080028
  N      -5.565990     -2.889229      2.546731
  N      -6.085318     -1.918057      2.778412
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.299745875979
  N      -2.688730     -3.715587      2.518406
  C      -2.480276     -4.648314      1.414853
  C      -2.299247     -6.059704      1.971465
  N      -3.313269     -6.330620      3.032823
  C      -4.569925     -6.896056      2.471117
  C      -5.704109     -6.742058      3.478479
  N      -5.638879     -5.404293      4.062198
  Mo     -3.872694     -4.426113      4.001667
  N      -2.657491     -5.123045      5.402564
  C      -1.908371     -6.346886      5.054280
  C      -2.748699     -7.194509      4.111487
  H      -1.659271     -6.958873      5.936890
  H      -0.941816     -6.092244      4.573607
  H      -3.597042     -7.612806      4.670394
  H      -2.168898     -8.029474      3.678506
  H      -6.657389     -6.921218      2.946902
  H      -5.634516     -7.537323      4.250382
  H      -4.800291     -6.306705      1.572418
  H      -4.429674     -7.953269      2.176737
  H      -1.591696     -4.406341      0.808023
  H      -3.342777     -4.630358      0.719177
  H      -1.310541     -6.126167      2.445694
  H      -2.357429     -6.834450      1.186402
  C       0.340163     -3.437675      2.982597
  N      -0.714966     -2.547745      3.467388
  C      -1.934950     -2.471812      2.620483
  C      -1.598337     -1.779249      1.281937
  C      -2.828816     -1.327572      0.540204
  C      -3.567768     -0.227472      1.001503
  C      -4.724364      0.189322      0.342454
  C      -5.165384     -0.488286     -0.797743
  C      -4.434402     -1.577855     -1.274495
  C      -3.276236     -1.989710     -0.610364
  C      -7.576910     -6.938051      6.378585
  N      -6.737341     -5.751409      6.231615
  C      -6.745609     -5.024655      4.933205
  C      -8.112559     -5.064982      4.231023
  C      -9.225472     -4.271077      4.876692
  C     -10.376903     -3.978575      4.126958
  C     -11.437622     -3.262532      4.681202
  C     -11.365874     -2.814329      6.003113
  C     -10.223279     -3.088678      6.756403
  C      -9.163119     -3.810900      6.199817
  C      -3.394698     -6.474384      7.957657
  N      -3.253967     -5.029358      7.821038
  C      -2.383424     -4.559085      6.730467
  C      -0.892147     -4.669408      7.147113
  C      -0.514248     -3.632909      8.167385
  C      -0.632428     -3.883001      9.541392
  C      -0.322901     -2.895412     10.478325
  C       0.108966     -1.635557     10.055405
  C       0.230979     -1.373056      8.688949
  C      -0.077854     -2.364386      7.755454
  H       0.001386     -4.472412      2.777902
  H       1.134679     -3.492733      3.740716
  H       0.791328     -3.034050      2.063769
  H      -1.037142     -2.924688      4.364582
  H      -2.586767     -1.765775      3.165089
  H      -0.996125     -2.436944      0.639041
  H      -0.968937     -0.911249      1.530542
  H      -3.229959      0.307536      1.893760
  H      -5.286904      1.044104      0.722195
  H      -6.072229     -0.165748     -1.312403
  H      -4.766339     -2.109874     -2.168203
  H      -2.707247     -2.840699     -0.990623
  H      -7.336575     -7.409801      7.341905
  H      -8.638219     -6.650220      6.414891
  H      -7.462516     -7.706031      5.588558
  H      -5.760751     -6.004615      6.393588
  H      -6.561973     -3.963062      5.176871
  H      -7.950915     -4.677273      3.213181
  H      -8.446263     -6.108009      4.100993
  H     -10.438437     -4.317124      3.088950
  H     -12.323845     -3.050326      4.078384
  H     -12.194966     -2.253326      6.438395
  H     -10.154095     -2.741451      7.788850
  H      -8.280374     -4.041792      6.800465
  H      -2.428861     -6.928920      8.224154
  H      -3.766295     -6.982501      7.044624
  H      -4.094866     -6.689932      8.776250
  H      -4.182526     -4.625789      7.679003
  H      -2.596237     -3.482631      6.659404
  H      -0.277185     -4.533227      6.244243
  H      -0.681296     -5.678331      7.530751
  H      -0.977275     -4.862883      9.876272
  H      -0.419650     -3.109899     11.544193
  H       0.352782     -0.863307     10.786939
  H       0.573533     -0.394131      8.348448
  H       0.023830     -2.153585      6.686987
  N      -4.351171     -2.481734      5.148192
  H      -5.028835     -1.869299      4.658841
  H      -3.515546     -1.908451      5.302431
  H      -4.743960     -2.643341      6.080568
  N      -5.555012     -2.903560      2.546512
  N      -6.083775     -1.934515      2.765421
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.299804501888
  N      -2.686116     -3.718615      2.521603
  C      -2.477218     -4.650371      1.418313
  C      -2.296623     -6.062169      1.974765
  N      -3.311179     -6.334207      3.036253
  C      -4.566491     -6.903663      2.476073
  C      -5.700963     -6.748347      3.483863
  N      -5.636670     -5.410004      4.067668
  Mo     -3.871412     -4.428876      4.003238
  N      -2.652494     -5.124001      5.402108
  C      -1.902681     -6.347291      5.054987
  C      -2.743892     -7.196856      4.114742
  H      -1.654040     -6.957846      5.938811
  H      -0.936055     -6.093527      4.574318
  H      -3.590578     -7.614057      4.676677
  H      -2.165262     -8.032198      3.681311
  H      -6.654184     -6.927181      2.952150
  H      -5.631741     -7.542852      4.256641
  H      -4.798916     -6.317874      1.575387
  H      -4.422429     -7.961560      2.185867
  H      -1.589530     -4.406952      0.810663
  H      -3.339095     -4.632723      0.721181
  H      -1.308139     -6.126292      2.450101
  H      -2.351701     -6.836758      1.189407
  C       0.339833     -3.449247      2.979669
  N      -0.706666     -2.548097      3.463354
  C      -1.930078     -2.474253      2.622457
  C      -1.600451     -1.780772      1.282338
  C      -2.835705     -1.325523      0.550300
  C      -3.566233     -0.222821      1.018962
  C      -4.728311      0.197666      0.372578
  C      -5.183356     -0.478320     -0.762934
  C      -4.462206     -1.571374     -1.246515
  C      -3.298516     -1.987038     -0.594951
  C      -7.584924     -6.941902      6.375765
  N      -6.744588     -5.753984      6.233029
  C      -6.747423     -5.028870      4.933585
  C      -8.111684     -5.069526      4.226149
  C      -9.226242     -4.272236      4.865192
  C     -10.372651     -3.976895      4.108595
  C     -11.433240     -3.254561      4.654700
  C     -11.366169     -2.803692      5.976392
  C     -10.229021     -3.082024      6.736850
  C      -9.168780     -3.809138      6.187444
  C      -3.391590     -6.469540      7.957335
  N      -3.249803     -5.024880      7.819716
  C      -2.377149     -4.557106      6.728918
  C      -0.886537     -4.669856      7.146714
  C      -0.507422     -3.631696      8.164543
  C      -0.623685     -3.879198      9.539579
  C      -0.313118     -2.889502     10.474008
  C       0.117358     -1.630233     10.047583
  C       0.237790     -1.370085      8.680328
  C      -0.071328     -2.363578      7.749559
  H      -0.003691     -4.485705      2.792773
  H       1.141757     -3.497502      3.730103
  H       0.781757     -3.060321      2.050551
  H      -1.025582     -2.914980      4.365739
  H      -2.580205     -1.769467      3.170610
  H      -1.004004     -2.438415      0.634398
  H      -0.969029     -0.913566      1.528776
  H      -3.218217      0.309741      1.908045
  H      -5.283751      1.054384      0.758523
  H      -6.092986     -0.151915     -1.268683
  H      -4.805164     -2.102518     -2.136596
  H      -2.736991     -2.840365     -0.981177
  H      -7.349211     -7.414142      7.340657
  H      -8.646977     -6.654908      6.406609
  H      -7.465328     -7.709672      5.586425
  H      -5.768841     -6.007528      6.401669
  H      -6.563616     -3.966630      5.175417
  H      -7.946490     -4.682301      3.208513
  H      -8.445572     -6.112497      4.096604
  H     -10.429598     -4.318201      3.071621
  H     -12.314789     -3.039735      4.046366
  H     -12.194541     -2.237734      6.406266
  H     -10.163879     -2.732671      7.769335
  H      -8.289689     -4.041204      6.792203
  H      -2.426734     -6.923496      8.228474
  H      -3.760277     -6.978237      7.043801
  H      -4.094813     -6.684599      8.773397
  H      -4.177893     -4.621623      7.674969
  H      -2.588087     -3.480121      6.655576
  H      -0.272460     -4.537465      6.243127
  H      -0.677007     -5.677749      7.532951
  H      -0.968009     -4.858817      9.876487
  H      -0.408245     -3.102141     11.540656
  H       0.361694     -0.856465     10.777369
  H       0.579630     -0.391512      8.337439
  H       0.028618     -2.155682      6.680104
  N      -4.359210     -2.480483      5.147399
  H      -5.036267     -1.872718      4.651425
  H      -3.526421     -1.904053      5.303273
  H      -4.756127     -2.640978      6.077944
  N      -5.548393     -2.913718      2.545692
  N      -6.086088     -1.947602      2.752659
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.299877337867
  N      -2.677866     -3.725861      2.528727
  C      -2.465678     -4.656459      1.424755
  C      -2.290637     -6.069606      1.979957
  N      -3.309203     -6.342586      3.039229
  C      -4.563381     -6.913060      2.478725
  C      -5.699040     -6.756585      3.485945
  N      -5.636457     -5.418723      4.072868
  Mo     -3.870249     -4.435075      4.003837
  N      -2.648619     -5.129360      5.401739
  C      -1.899259     -6.353698      5.057396
  C      -2.741023     -7.204593      4.118499
  H      -1.653575     -6.963040      5.942910
  H      -0.931152     -6.103143      4.578301
  H      -3.586547     -7.620322      4.683204
  H      -2.163465     -8.041020      3.685461
  H      -6.651524     -6.933601      2.952063
  H      -5.631364     -7.551748      4.258020
  H      -4.795153     -6.330700      1.575352
  H      -4.417221     -7.971810      2.192279
  H      -1.574919     -4.414078      0.820727
  H      -3.323312     -4.636108      0.721754
  H      -1.303788     -6.135629      2.458040
  H      -2.343571     -6.842743      1.192933
  C       0.346115     -3.452845      2.981320
  N      -0.696973     -2.547491      3.463595
  C      -1.922884     -2.478660      2.627631
  C      -1.603256     -1.784780      1.284638
  C      -2.844119     -1.322647      0.567543
  C      -3.560553     -0.215369      1.046530
  C      -4.731446      0.209320      0.419960
  C      -5.208289     -0.465358     -0.707601
  C      -4.499384     -1.561415     -1.202203
  C      -3.327652     -1.982090     -0.569743
  C      -7.595152     -6.949735      6.371419
  N      -6.755193     -5.760704      6.232989
  C      -6.750738     -5.036859      4.933139
  C      -8.111656     -5.077106      4.219536
  C      -9.225954     -4.273516      4.851571
  C     -10.365617     -3.971321      4.087277
  C     -11.423516     -3.239864      4.625535
  C     -11.360191     -2.785381      5.946541
  C     -10.230462     -3.070778      6.713908
  C      -9.172710     -3.808155      6.173403
  C      -3.390935     -6.467175      7.956129
  N      -3.246170     -5.022880      7.819084
  C      -2.372630     -4.558938      6.727115
  C      -0.882039     -4.672346      7.143527
  C      -0.501557     -3.629974      8.156253
  C      -0.614892     -3.868653      9.532877
  C      -0.305728     -2.871803     10.460450
  C       0.120595     -1.614396     10.025462
  C       0.238695     -1.362842      8.656309
  C      -0.068958     -2.363448      7.732900
  H       0.005614     -4.494082      2.815309
  H       1.159344     -3.485310      3.721914
  H       0.772473     -3.076502      2.039629
  H      -1.012092     -2.906120      4.370811
  H      -2.573810     -1.776424      3.177832
  H      -1.015930     -2.442472      0.629146
  H      -0.966901     -0.920269      1.526360
  H      -3.194804      0.316138      1.929707
  H      -5.276985      1.068102      0.815258
  H      -6.126159     -0.136600     -1.198588
  H      -4.859070     -2.092068     -2.086291
  H      -2.776799     -2.838284     -0.964988
  H      -7.363486     -7.421783      7.337268
  H      -8.657620     -6.664182      6.396964
  H      -7.469378     -7.717468      5.583053
  H      -5.780846     -6.012967      6.411046
  H      -6.566957     -3.974378      5.174427
  H      -7.941618     -4.691432      3.202127
  H      -8.447367     -6.119499      4.091666
  H     -10.418172     -4.314158      3.049997
  H     -12.298760     -3.018771      4.010699
  H     -12.185432     -2.210415      6.370288
  H     -10.168541     -2.718244      7.745365
  H      -8.298603     -4.046038      6.784679
  H      -2.427332     -6.922601      8.229991
  H      -3.757869     -6.974502      7.041219
  H      -4.097431     -6.681562      8.770165
  H      -4.173577     -4.619140      7.671809
  H      -2.581573     -3.481770      6.651262
  H      -0.270917     -4.542952      6.237477
  H      -0.670825     -5.678418      7.533551
  H      -0.957093     -4.846735      9.876311
  H      -0.398990     -3.077544     11.528648
  H       0.363881     -0.835349     10.750350
  H       0.577797     -0.385857      8.306696
  H       0.027529     -2.162689      6.661471
  N      -4.367001     -2.480497      5.144487
  H      -5.040062     -1.876785      4.640095
  H      -3.537210     -1.901222      5.303118
  H      -4.770825     -2.637679      6.072542
  N      -5.533664     -2.927691      2.540661
  N      -6.082717     -1.964839      2.731505
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300113912517
  N      -2.661180     -3.749772      2.545984
  C      -2.444236     -4.679688      1.441941
  C      -2.277868     -6.094230      1.996465
  N      -3.303554     -6.366762      3.050134
  C      -4.554235     -6.938494      2.484668
  C      -5.695164     -6.781368      3.486351
  N      -5.636470     -5.444802      4.077772
  Mo     -3.869960     -4.455380      4.008292
  N      -2.651295     -5.147799      5.410994
  C      -1.903406     -6.375475      5.076216
  C      -2.740496     -7.227372      4.133640
  H      -1.667312     -6.982780      5.965743
  H      -0.930327     -6.130713      4.604305
  H      -3.588054     -7.642190      4.695987
  H      -2.161312     -8.064651      3.704386
  H      -6.644747     -6.956225      2.946370
  H      -5.631936     -7.577998      4.257126
  H      -4.781315     -6.360663      1.577178
  H      -4.405428     -7.998296      2.202866
  H      -1.547985     -4.440382      0.844562
  H      -3.295292     -4.655526      0.730737
  H      -1.294020     -6.164478      2.479871
  H      -2.328680     -6.865626      1.207567
  C       0.367949     -3.459445      2.956750
  N      -0.670969     -2.558904      3.455678
  C      -1.908842     -2.498392      2.638607
  C      -1.615594     -1.801348      1.291174
  C      -2.869822     -1.309202      0.617986
  C      -3.536891     -0.180889      1.119404
  C      -4.719477      0.273613      0.538143
  C      -5.259864     -0.392922     -0.564918
  C      -4.601172     -1.510062     -1.081499
  C      -3.416005     -1.959593     -0.495405
  C      -7.619120     -6.977375      6.349091
  N      -6.784343     -5.783052      6.224660
  C      -6.760425     -5.061873      4.923679
  C      -8.111905     -5.100967      4.192787
  C      -9.229129     -4.286541      4.805885
  C     -10.346582     -3.963213      4.018457
  C     -11.401114     -3.211932      4.534759
  C     -11.358030     -2.761148      5.858251
  C     -10.253093     -3.072605      6.650207
  C      -9.196967     -3.827003      6.130479
  C      -3.395646     -6.433904      8.003997
  N      -3.246534     -4.993707      7.827931
  C      -2.367785     -4.559807      6.727219
  C      -0.877904     -4.679583      7.143740
  C      -0.485503     -3.619501      8.134295
  C      -0.589609     -3.829432      9.516450
  C      -0.267445     -2.815682     10.421289
  C       0.162722     -1.569754      9.957862
  C       0.271944     -1.346357      8.582724
  C      -0.048333     -2.363902      7.682542
  H       0.037001     -4.507459      2.815858
  H       1.204547     -3.469930      3.671547
  H       0.758613     -3.091462      1.996552
  H      -0.967031     -2.912575      4.370999
  H      -2.555935     -1.800438      3.198335
  H      -1.060523     -2.464691      0.613612
  H      -0.956738     -0.950185      1.519419
  H      -3.121464      0.344283      1.983478
  H      -5.224855      1.149122      0.950166
  H      -6.187455     -0.041904     -1.020320
  H      -5.010584     -2.034987     -1.947054
  H      -2.905135     -2.832066     -0.908558
  H      -7.403417     -7.446097      7.320278
  H      -8.683929     -6.698993      6.352586
  H      -7.471175     -7.745817      5.565445
  H      -5.812349     -6.027024      6.427455
  H      -6.578923     -3.999347      5.165584
  H      -7.926291     -4.719181      3.176881
  H      -8.451057     -6.141832      4.065074
  H     -10.381286     -4.301790      2.979250
  H     -12.256394     -2.970805      3.900271
  H     -12.179779     -2.169831      6.265614
  H     -10.207875     -2.724798      7.684667
  H      -8.341565     -4.083773      6.761089
  H      -2.436116     -6.882829      8.300925
  H      -3.753796     -6.966391      7.099906
  H      -4.111745     -6.623975      8.816618
  H      -4.172252     -4.593376      7.663431
  H      -2.565332     -3.482021      6.632084
  H      -0.268954     -4.573818      6.233044
  H      -0.673584     -5.679162      7.554592
  H      -0.934338     -4.798748      9.882421
  H      -0.353232     -2.999553     11.494343
  H       0.416230     -0.777984     10.665409
  H       0.614590     -0.378760      8.210629
  H       0.042436     -2.185973      6.606373
  N      -4.381424     -2.495176      5.146471
  H      -5.051094     -1.896833      4.632031
  H      -3.555421     -1.911141      5.310519
  H      -4.793819     -2.651167      6.071099
  N      -5.512998     -2.956555      2.532714
  N      -6.075819     -1.997616      2.702640
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300197931077
  N      -2.633999     -3.793971      2.558166
  C      -2.411819     -4.727926      1.457309
  C      -2.253250     -6.140332      2.018575
  N      -3.289485     -6.407860      3.063549
  C      -4.536012     -6.978581      2.489109
  C      -5.685545     -6.818291      3.480627
  N      -5.629316     -5.483075      4.074541
  Mo     -3.861497     -4.491473      4.006374
  N      -2.654179     -5.177788      5.421821
  C      -1.908718     -6.410345      5.105239
  C      -2.738655     -7.264084      4.156864
  H      -1.688178     -7.013012      6.002061
  H      -0.927735     -6.174824      4.644066
  H      -3.591990     -7.676047      4.712997
  H      -2.156545     -8.104224      3.736738
  H      -6.630640     -6.990447      2.931444
  H      -5.630324     -7.615862      4.250854
  H      -4.753031     -6.406069      1.575748
  H      -4.387217     -8.040156      2.212823
  H      -1.508980     -4.495807      0.866912
  H      -3.256018     -4.703634      0.738170
  H      -1.273983     -6.211951      2.510998
  H      -2.299882     -6.914239      1.231847
  C       0.403303     -3.489113      2.897015
  N      -0.626897     -2.599778      3.430150
  C      -1.884169     -2.541157      2.644078
  C      -1.638888     -1.831206      1.293726
  C      -2.916317     -1.293557      0.700825
  C      -3.516023     -0.150718      1.253129
  C      -4.717207      0.347379      0.751533
  C      -5.347355     -0.290855     -0.319454
  C      -4.759619     -1.424084     -0.884364
  C      -3.554354     -1.917077     -0.378730
  C      -7.643855     -7.012459      6.313591
  N      -6.812670     -5.813979      6.206926
  C      -6.761104     -5.095391      4.905182
  C      -8.101286     -5.125101      4.152226
  C      -9.218033     -4.291203      4.740347
  C     -10.300973     -3.930330      3.921515
  C     -11.347418     -3.149826      4.410158
  C     -11.332547     -2.709488      5.738088
  C     -10.265058     -3.063114      6.562602
  C      -9.215032     -3.844009      6.069385
  C      -3.391131     -6.394843      8.065931
  N      -3.250503     -4.960864      7.833839
  C      -2.367182     -4.561610      6.724454
  C      -0.878265     -4.676430      7.144181
  C      -0.481073     -3.588473      8.103071
  C      -0.582069     -3.756799      9.491200
  C      -0.254750     -2.717691     10.364815
  C       0.177683     -1.487087      9.863816
  C       0.284775     -1.305047      8.481983
  C      -0.040346     -2.348210      7.613416
  H       0.082085     -4.541806      2.772587
  H       1.266293     -3.483115      3.577364
  H       0.749838     -3.120966      1.921688
  H      -0.892607     -2.956303      4.353658
  H      -2.521481     -1.851403      3.224148
  H      -1.138418     -2.497159      0.577191
  H      -0.946030     -1.000632      1.499105
  H      -3.033381      0.351004      2.094753
  H      -5.167480      1.234426      1.201437
  H      -6.290139      0.093142     -0.711864
  H      -5.240749     -1.928966     -1.724377
  H      -3.100170     -2.802135     -0.829941
  H      -7.452321     -7.476520      7.292117
  H      -8.709738     -6.739819      6.286451
  H      -7.469839     -7.783314      5.537538
  H      -5.845477     -6.046790      6.444698
  H      -6.577648     -4.033831      5.149728
  H      -7.892159     -4.749776      3.138389
  H      -8.450998     -6.162120      4.022905
  H     -10.311629     -4.259807      2.879165
  H     -12.172688     -2.876938      3.750851
  H     -12.146971     -2.094357      6.124548
  H     -10.242805     -2.725286      7.601354
  H      -8.387878     -4.129178      6.723055
  H      -2.432970     -6.823253      8.398019
  H      -3.730521     -6.968549      7.178862
  H      -4.119474     -6.555363      8.873221
  H      -4.178155     -4.574536      7.642675
  H      -2.558361     -3.484928      6.601953
  H      -0.269357     -4.598897      6.230797
  H      -0.676882     -5.663878      7.584921
  H      -0.928085     -4.714076      9.887413
  H      -0.338141     -2.869745     11.443128
  H       0.435085     -0.675832     10.547211
  H       0.629862     -0.350119      8.079983
  H       0.051549     -2.202545      6.532424
  N      -4.387890     -2.526567      5.139759
  H      -5.049064     -1.930836      4.613174
  H      -3.565610     -1.940937      5.316748
  H      -4.815691     -2.682978      6.057235
  N      -5.477931     -2.999168      2.515825
  N      -6.050641     -2.041838      2.663490
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300332023364
  N      -2.642753     -3.792865      2.553620
  C      -2.424725     -4.729852      1.453206
  C      -2.262247     -6.140093      2.017432
  N      -3.292825     -6.404128      3.067340
  C      -4.540622     -6.978202      2.497477
  C      -5.688264     -6.819341      3.490256
  N      -5.633809     -5.482457      4.079460
  Mo     -3.869803     -4.484654      4.008008
  N      -2.661688     -5.167409      5.425575
  C      -1.911649     -6.397809      5.108658
  C      -2.738305     -7.255778      4.161731
  H      -1.686058     -6.999132      6.005361
  H      -0.932655     -6.157780      4.644197
  H      -3.589973     -7.673070      4.716566
  H      -2.150679     -8.092777      3.742958
  H      -6.634127     -6.997445      2.944541
  H      -5.628087     -7.614974      4.261964
  H      -4.759899     -6.406441      1.584603
  H      -4.393278     -8.039668      2.220060
  H      -1.522963     -4.500326      0.860383
  H      -3.272803     -4.707397      0.739210
  H      -1.280322     -6.212596      2.504578
  H      -2.315809     -6.915985      1.233008
  C       0.396408     -3.493225      2.882887
  N      -0.635354     -2.606429      3.418013
  C      -1.892404     -2.542602      2.631507
  C      -1.637029     -1.840651      1.278921
  C      -2.903949     -1.290661      0.676929
  C      -3.484378     -0.128691      1.208252
  C      -4.671633      0.386326      0.690066
  C      -5.307392     -0.255601     -0.375368
  C      -4.738750     -1.408760     -0.919109
  C      -3.546491     -1.917846     -0.397182
  C      -7.635067     -7.014097      6.326104
  N      -6.811699     -5.812262      6.214868
  C      -6.764922     -5.096421      4.912058
  C      -8.106993     -5.132078      4.163118
  C      -9.224222     -4.299954      4.751497
  C     -10.304566     -3.935704      3.932050
  C     -11.354833     -3.161556      4.422994
  C     -11.346594     -2.731271      5.753656
  C     -10.280433     -3.087341      6.579481
  C      -9.227300     -3.862349      6.083774
  C      -3.374800     -6.403244      8.063338
  N      -3.249816     -4.966524      7.837645
  C      -2.373911     -4.554369      6.728644
  C      -0.883288     -4.664154      7.143736
  C      -0.487132     -3.583350      8.112733
  C      -0.578255     -3.770112      9.499064
  C      -0.248830     -2.741439     10.384096
  C       0.176301     -1.502695      9.896678
  C       0.272520     -1.302375      8.516769
  C      -0.055478     -2.335027      7.636282
  H       0.072694     -4.544879      2.751306
  H       1.258446     -3.492207      3.565622
  H       0.747597     -3.118754      1.910104
  H      -0.901925     -2.965800      4.339722
  H      -2.525356     -1.846217      3.208867
  H      -1.143285     -2.518034      0.567956
  H      -0.933209     -1.018577      1.479717
  H      -2.995074      0.378303      2.043299
  H      -5.106215      1.290201      1.121482
  H      -6.239722      0.141756     -0.779584
  H      -5.225286     -1.917081     -1.753748
  H      -3.106481     -2.818453     -0.831461
  H      -7.443090     -7.471649      7.307115
  H      -8.702303     -6.747341      6.295617
  H      -7.456519     -7.787766      5.554029
  H      -5.842374     -6.036815      6.450588
  H      -6.585941     -4.034519      5.155933
  H      -7.899891     -4.762538      3.147346
  H      -8.454867     -6.170254      4.038817
  H     -10.311698     -4.258125      2.887551
  H     -12.179357     -2.885882      3.762737
  H     -12.164737     -2.121876      6.141275
  H     -10.262808     -2.758364      7.621228
  H      -8.401613     -4.151036      6.740189
  H      -2.412470     -6.823852      8.389492
  H      -3.709457     -6.976074      7.174055
  H      -4.100044     -6.574991      8.872287
  H      -4.181184     -4.590532      7.649512
  H      -2.571483     -3.478919      6.612391
  H      -0.274820     -4.574920      6.230622
  H      -0.677052     -5.655706      7.574515
  H      -0.917161     -4.733597      9.885923
  H      -0.324181     -2.908039     11.460725
  H       0.435839     -0.699343     10.588600
  H       0.610879     -0.341120      8.124634
  H       0.030174     -2.173186      6.557358
  N      -4.388644     -2.520841      5.141519
  H      -5.059718     -1.925247      4.625441
  H      -3.564417     -1.933497      5.307604
  H      -4.802261     -2.677744      6.065686
  N      -5.505694     -2.989312      2.516097
  N      -6.071689     -2.030338      2.678989
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300374530597
  N      -2.656692     -3.771568      2.544509
  C      -2.442455     -4.706918      1.442159
  C      -2.269581     -6.116139      2.004926
  N      -3.294636     -6.383986      3.057704
  C      -4.543875     -6.956736      2.488331
  C      -5.688429     -6.803998      3.484961
  N      -5.631924     -5.468672      4.074940
  Mo     -3.870771     -4.472266      4.006127
  N      -2.662831     -5.157151      5.421390
  C      -1.908541     -6.381889      5.094811
  C      -2.736825     -7.238112      4.147848
  H      -1.673976     -6.986111      5.986888
  H      -0.934066     -6.133950      4.625268
  H      -3.587360     -7.658876      4.701930
  H      -2.148489     -8.072553      3.724834
  H      -6.636039     -6.983068      2.942652
  H      -5.624212     -7.601444      4.254678
  H      -4.766515     -6.378178      1.580494
  H      -4.397296     -8.016150      2.203204
  H      -1.546383     -4.472971      0.843012
  H      -3.297806     -4.687449      0.737285
  H      -1.285642     -6.183326      2.488719
  H      -2.322638     -6.892996      1.221483
  C       0.389920     -3.462151      2.895265
  N      -0.657014     -2.592558      3.429349
  C      -1.906591     -2.523826      2.629439
  C      -1.631451     -1.821554      1.279951
  C      -2.889925     -1.301915      0.635943
  C      -3.507301     -0.145392      1.135130
  C      -4.687197      0.340962      0.572837
  C      -5.275030     -0.323728     -0.506822
  C      -4.667589     -1.471073     -1.019825
  C      -3.484993     -1.952592     -0.452210
  C      -7.616156     -7.010065      6.335213
  N      -6.787667     -5.812135      6.220254
  C      -6.753827     -5.086553      4.922471
  C      -8.104522     -5.113123      4.186381
  C      -9.216427     -4.284961      4.790524
  C     -10.305998     -3.916694      3.983779
  C     -11.357020     -3.154197      4.492470
  C     -11.339003     -2.737200      5.826811
  C     -10.260838     -3.092208      6.638566
  C      -9.208675     -3.857944      6.126091
  C      -3.388639     -6.420343      8.039636
  N      -3.254317     -4.981254      7.836489
  C      -2.380147     -4.555332      6.731076
  C      -0.889413     -4.664567      7.146239
  C      -0.499250     -3.597251      8.131058
  C      -0.600566     -3.804007      9.513664
  C      -0.278332     -2.788348     10.415715
  C       0.149469     -1.542587      9.949013
  C       0.255392     -1.322889      8.573121
  C      -0.065627     -2.342708      7.675112
  H       0.072662     -4.510459      2.731059
  H       1.234653     -3.475130      3.597470
  H       0.763510     -3.064288      1.941271
  H      -0.933385     -2.969940      4.341284
  H      -2.544789     -1.827690      3.201665
  H      -1.107318     -2.494873      0.587049
  H      -0.947167     -0.985246      1.491782
  H      -3.051706      0.381908      1.977734
  H      -5.151965      1.241400      0.978893
  H      -6.200420      0.052581     -0.945825
  H      -5.116687     -1.996524     -1.864891
  H      -3.014163     -2.849397     -0.861263
  H      -7.413412     -7.475194      7.310607
  H      -8.681849     -6.736570      6.322094
  H      -7.455212     -7.779954      5.555162
  H      -5.816198     -6.042515      6.439277
  H      -6.569382     -4.026775      5.173152
  H      -7.906568     -4.738790      3.170018
  H      -8.455218     -6.150530      4.058343
  H     -10.322640     -4.230041      2.936543
  H     -12.191246     -2.879458      3.844190
  H     -12.158443     -2.137662      6.227558
  H     -10.234426     -2.771407      7.682024
  H      -8.373916     -4.143914      6.768801
  H      -2.425335     -6.855003      8.346915
  H      -3.741270     -6.975357      7.145893
  H      -4.103565     -6.598369      8.854196
  H      -4.184826     -4.593616      7.661269
  H      -2.581659     -3.479047      6.626616
  H      -0.277642     -4.560594      6.237241
  H      -0.682076     -5.661314      7.562319
  H      -0.941702     -4.772786      9.884264
  H      -0.361643     -2.970197     11.488982
  H       0.403215     -0.748908     10.653669
  H       0.595276     -0.355800      8.197248
  H       0.026687     -2.164396      6.599641
  N      -4.384106     -2.519489      5.148271
  H      -5.056436     -1.917853      4.640962
  H      -3.558312     -1.936537      5.317151
  H      -4.794958     -2.683357      6.072167
  N      -5.525620     -2.970502      2.530343
  N      -6.085055     -2.011511      2.712820
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300491259814
  N      -2.646701     -3.791474      2.542146
  C      -2.435429     -4.730517      1.442948
  C      -2.265248     -6.138452      2.010971
  N      -3.289866     -6.401547      3.066698
  C      -4.537966     -6.982300      2.503249
  C      -5.682266     -6.822834      3.500311
  N      -5.626311     -5.484334      4.084685
  Mo     -3.866241     -4.483147      4.002410
  N      -2.653808     -5.159657      5.419197
  C      -1.897251     -6.384465      5.098893
  C      -2.727262     -7.248514      4.160620
  H      -1.660945     -6.982198      5.994764
  H      -0.923883     -6.138848      4.626694
  H      -3.575352     -7.664419      4.721639
  H      -2.140935     -8.085712      3.740795
  H      -6.630064     -7.003448      2.958890
  H      -5.618571     -7.616045      4.274540
  H      -4.763548     -6.412338      1.590570
  H      -4.386864     -8.043789      2.228748
  H      -1.540348     -4.499233      0.841171
  H      -3.291148     -4.712151      0.737822
  H      -1.281239     -6.202158      2.495032
  H      -2.316694     -6.918561      1.230774
  C       0.407493     -3.486726      2.851970
  N      -0.630573     -2.615660      3.401950
  C      -1.890558     -2.543818      2.621328
  C      -1.634656     -1.836097      1.270450
  C      -2.900346     -1.292274      0.662007
  C      -3.479131     -0.122685      1.178333
  C      -4.668512      0.383152      0.655160
  C      -5.303873     -0.272746     -0.403059
  C      -4.734008     -1.431096     -0.933637
  C      -3.542266     -1.932784     -0.405184
  C      -7.626442     -7.012563      6.338111
  N      -6.796830     -5.814644      6.223962
  C      -6.753558     -5.096153      4.923370
  C      -8.099878     -5.125282      4.179492
  C      -9.212270     -4.288221      4.769984
  C     -10.288373     -3.909982      3.949618
  C     -11.339493     -3.139783      4.445673
  C     -11.334268     -2.723890      5.780641
  C     -10.269255     -3.088062      6.605270
  C      -9.217285     -3.862407      6.106167
  C      -3.390824     -6.411725      8.031955
  N      -3.250112     -4.972949      7.832727
  C      -2.373344     -4.550721      6.726398
  C      -0.883560     -4.656471      7.145303
  C      -0.499358     -3.584818      8.126965
  C      -0.601158     -3.786245      9.510393
  C      -0.287117     -2.764190     10.408396
  C       0.132427     -1.517682      9.936601
  C       0.239011     -1.303120      8.560033
  C      -0.073298     -2.329153      7.666385
  H       0.093026     -4.538592      2.705094
  H       1.269184     -3.489873      3.534712
  H       0.755752     -3.096125      1.884936
  H      -0.894786     -2.991561      4.317839
  H      -2.520032     -1.849455      3.205017
  H      -1.136758     -2.510204      0.559672
  H      -0.935655     -1.010665      1.474146
  H      -2.985711      0.398844      2.003525
  H      -5.103299      1.292277      1.074825
  H      -6.236607      0.119005     -0.812295
  H      -5.219558     -1.949497     -1.762877
  H      -3.102061     -2.838537     -0.828273
  H      -7.429172     -7.474838      7.316138
  H      -8.692205     -6.739015      6.318724
  H      -7.460818     -7.785046      5.561853
  H      -5.827647     -6.044997      6.452329
  H      -6.568181     -4.035102      5.168660
  H      -7.896415     -4.758526      3.161491
  H      -8.451984     -6.162999      4.058303
  H     -10.293778     -4.222207      2.901707
  H     -12.162876     -2.857255      3.786618
  H     -12.153144     -2.117487      6.171859
  H     -10.253120     -2.767083      7.648815
  H      -8.391798     -4.155452      6.758551
  H      -2.429244     -6.850733      8.338249
  H      -3.746253     -6.961262      7.136655
  H      -4.106410     -6.589968      8.846357
  H      -4.178935     -4.582262      7.656898
  H      -2.575662     -3.475083      6.616893
  H      -0.271466     -4.554016      6.236420
  H      -0.674022     -5.651124      7.564691
  H      -0.937015     -4.755609      9.884135
  H      -0.370948     -2.941774     11.482414
  H       0.379176     -0.719014     10.638362
  H       0.572595     -0.335233      8.180661
  H       0.017082     -2.155589      6.589854
  N      -4.390545     -2.517378      5.130089
  H      -5.061556     -1.925142      4.611312
  H      -3.567768     -1.929723      5.295868
  H      -4.806028     -2.672864      6.053226
  N      -5.510835     -3.002950      2.515903
  N      -6.085193     -2.048761      2.675166
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300545547211
  N      -2.630878     -3.812406      2.542315
  C      -2.421373     -4.755009      1.445184
  C      -2.254753     -6.160926      2.019055
  N      -3.282720     -6.417286      3.072965
  C      -4.530142     -6.997679      2.507314
  C      -5.677371     -6.834705      3.500030
  N      -5.620910     -5.495478      4.081400
  Mo     -3.860950     -4.494341      3.998962
  N      -2.656940     -5.167216      5.424563
  C      -1.900407     -6.394046      5.112326
  C      -2.726647     -7.260573      4.173015
  H      -1.668052     -6.988919      6.011341
  H      -0.924871     -6.151200      4.642354
  H      -3.578005     -7.674807      4.730320
  H      -2.138123     -8.099340      3.759229
  H      -6.623765     -7.015800      2.956155
  H      -5.616997     -7.626690      4.275780
  H      -4.751219     -6.429550      1.592545
  H      -4.380891     -8.060066      2.235017
  H      -1.524439     -4.528673      0.844343
  H      -3.276913     -4.736838      0.740182
  H      -1.271976     -6.225278      2.505670
  H      -2.307219     -6.944215      1.242077
  C       0.438032     -3.501691      2.795424
  N      -0.598210     -2.651149      3.379646
  C      -1.870872     -2.569351      2.620514
  C      -1.640480     -1.846967      1.274048
  C      -2.920238     -1.292140      0.705968
  C      -3.485637     -0.131093      1.255095
  C      -4.690781      0.379706      0.773836
  C      -5.356271     -0.263363     -0.273386
  C      -4.801822     -1.414531     -0.834928
  C      -3.594672     -1.921867     -0.347701
  C      -7.641649     -7.018107      6.317530
  N      -6.809516     -5.821873      6.211602
  C      -6.751436     -5.102336      4.912645
  C      -8.092349     -5.124185      4.158264
  C      -9.201949     -4.276672      4.737630
  C     -10.255448     -3.870033      3.902092
  C     -11.305109     -3.091902      4.389082
  C     -11.321427     -2.697421      5.730322
  C     -10.278445     -3.089851      6.570486
  C      -9.227796     -3.871320      6.079941
  C      -3.381319     -6.405429      8.047449
  N      -3.252026     -4.967137      7.835807
  C      -2.377497     -4.548662      6.726943
  C      -0.887364     -4.646187      7.146584
  C      -0.504673     -3.562853      8.116825
  C      -0.601634     -3.751510      9.502429
  C      -0.287855     -2.720259     10.389875
  C       0.126978     -1.476938      9.905269
  C       0.228651     -1.275199      8.526386
  C      -0.083817     -2.310401      7.643133
  H       0.131051     -4.553637      2.631799
  H       1.311127     -3.510109      3.463227
  H       0.767183     -3.088350      1.831065
  H      -0.845932     -3.047121      4.291597
  H      -2.489748     -1.880453      3.221580
  H      -1.163073     -2.514330      0.542729
  H      -0.933082     -1.027217      1.471782
  H      -2.970766      0.378550      2.073741
  H      -5.114558      1.282566      1.217742
  H      -6.301092      0.132318     -0.649090
  H      -5.312056     -1.923657     -1.654919
  H      -3.167713     -2.822980     -0.793649
  H      -7.456218     -7.479608      7.298176
  H      -8.706783     -6.742919      6.286086
  H      -7.469345     -7.791698      5.543811
  H      -5.842909     -6.051545      6.451611
  H      -6.563158     -4.042902      5.161325
  H      -7.877857     -4.764617      3.140263
  H      -8.451414     -6.159728      4.039298
  H     -10.244040     -4.165646      2.849723
  H     -12.110851     -2.786826      3.718316
  H     -12.139635     -2.085748      6.114558
  H     -10.278955     -2.785961      7.619562
  H      -8.418561     -4.185259      6.743691
  H      -2.417076     -6.833864      8.358877
  H      -3.729832     -6.965873      7.156021
  H      -4.097316     -6.582038      8.862317
  H      -4.183255     -4.585679      7.654665
  H      -2.583189     -3.474584      6.610058
  H      -0.274859     -4.551278      6.236979
  H      -0.675222     -5.636319      7.576094
  H      -0.933073     -4.718261      9.886981
  H      -0.367917     -2.888093     11.465790
  H       0.373906     -0.671038     10.598608
  H       0.558534     -0.310122      8.136580
  H       0.004268     -2.145846      6.565002
  N      -4.384034     -2.526121      5.121657
  H      -5.054471     -1.933352      4.602058
  H      -3.560183     -1.939487      5.288093
  H      -4.800423     -2.680615      6.044661
  N      -5.500341     -3.015644      2.504376
  N      -6.074969     -2.060954      2.661065
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.190377313610
  N      -2.635205     -3.815167      2.541881
  C      -2.427881     -4.757774      1.444520
  C      -2.257075     -6.162728      2.019623
  N      -3.283190     -6.419492      3.075192
  C      -4.530249     -7.002860      2.511313
  C      -5.676264     -6.841944      3.505806
  N      -5.620620     -5.502806      4.086933
  Mo     -3.863951     -4.497347      4.000186
  N      -2.658497     -5.167190      5.425977
  C      -1.899058     -6.392012      5.113082
  C      -2.724523     -7.261007      4.175435
  H      -1.663199     -6.985810      6.011865
  H      -0.925127     -6.146687      4.641156
  H      -3.574793     -7.676255      4.733580
  H      -2.134841     -8.098977      3.761681
  H      -6.623325     -7.024554      2.963488
  H      -5.613615     -7.633965      4.281395
  H      -4.753930     -6.434703      1.597166
  H      -4.379046     -8.064852      2.238702
  H      -1.533490     -4.529566      0.840494
  H      -3.286448     -4.741529      0.743193
  H      -1.273615     -6.223415      2.505372
  H      -2.308477     -6.947579      1.244166
  C       0.445313     -3.502825      2.769138
  N      -0.592825     -2.668224      3.372950
  C      -1.869624     -2.576095      2.621705
  C      -1.640741     -1.849256      1.276987
  C      -2.918569     -1.289374      0.709791
  C      -3.473983     -0.120310      1.251774
  C      -4.674491      0.397836      0.766478
  C      -5.344689     -0.245671     -0.277567
  C      -4.799708     -1.404645     -0.832159
  C      -3.597439     -1.919316     -0.340980
  C      -7.643306     -7.031538      6.316858
  N      -6.810941     -5.835193      6.215325
  C      -6.750949     -5.110788      4.919205
  C      -8.091676     -5.128151      4.163602
  C      -9.198230     -4.275978      4.741418
  C     -10.241409     -3.852174      3.901395
  C     -11.288998     -3.070778      4.387860
  C     -11.313034     -2.689515      5.732711
  C     -10.279427     -3.097698      6.577084
  C      -9.231275     -3.882905      6.087376
  C      -3.378632     -6.411483      8.046039
  N      -3.253403     -4.972349      7.838019
  C      -2.381403     -4.548946      6.728789
  C      -0.890804     -4.640925      7.148115
  C      -0.511932     -3.555508      8.117249
  C      -0.607589     -3.743568      9.503021
  C      -0.297979     -2.710334     10.389588
  C       0.111349     -1.465627      9.903838
  C       0.211674     -1.264628      8.524828
  C      -0.096670     -2.301782      7.642340
  H       0.144043     -4.553195      2.585765
  H       1.320668     -3.519518      3.433824
  H       0.769384     -3.069529      1.811975
  H      -0.836104     -3.081303      4.278557
  H      -2.482294     -1.888032      3.229968
  H      -1.166602     -2.516669      0.543446
  H      -0.930329     -1.032258      1.475439
  H      -2.953632      0.391064      2.066061
  H      -5.090852      1.306969      1.204519
  H      -6.286067      0.155899     -0.655982
  H      -5.313469     -1.913826     -1.649927
  H      -3.177115     -2.825767     -0.782394
  H      -7.458389     -7.496213      7.296062
  H      -8.708406     -6.756057      6.286260
  H      -7.471495     -7.802785      5.540684
  H      -5.844638     -6.065478      6.455884
  H      -6.561026     -4.052653      5.171951
  H      -7.875677     -4.771689      3.144898
  H      -8.454129     -6.162842      4.046714
  H     -10.223628     -4.136795      2.846016
  H     -12.086890     -2.752523      3.713882
  H     -12.129688     -2.075300      6.116276
  H     -10.285474     -2.803112      7.628680
  H      -8.428024     -4.207365      6.753249
  H      -2.411996     -6.838497      8.352433
  H      -3.729393     -6.970049      7.154305
  H      -4.090698     -6.592156      8.863320
  H      -4.185877     -4.592127      7.660119
  H      -2.591651     -3.475676      6.613321
  H      -0.278385     -4.544564      6.238564
  H      -0.675356     -5.630163      7.577938
  H      -0.934800     -4.711362      9.888447
  H      -0.377044     -2.877620     11.465630
  H       0.355076     -0.658060     10.596367
  H       0.537312     -0.298481      8.134162
  H      -0.009958     -2.137485      6.564052
  N      -4.388926     -2.530317      5.122638
  H      -5.060809     -1.938305      4.604255
  H      -3.565413     -1.943109      5.288250
  H      -4.804035     -2.685815      6.046050
  N      -5.510342     -3.025123      2.509823
  N      -6.090093     -2.073955      2.668389
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300385988702
  N      -2.659275     -3.804954      2.547341
  C      -2.455046     -4.743025      1.446551
  C      -2.269827     -6.147110      2.019626
  N      -3.290402     -6.410537      3.078631
  C      -4.536717     -6.999861      2.517929
  C      -5.677946     -6.850444      3.519647
  N      -5.625311     -5.513858      4.105291
  Mo     -3.879023     -4.496136      4.011447
  N      -2.666716     -5.162336      5.432613
  C      -1.899735     -6.380310      5.110851
  C      -2.723567     -7.252100      4.175023
  H      -1.651685     -6.975057      6.005599
  H      -0.931435     -6.125351      4.632958
  H      -3.570281     -7.673051      4.734127
  H      -2.130625     -8.085778      3.757261
  H      -6.627435     -7.036320      2.982364
  H      -5.607116     -7.645703      4.291366
  H      -4.769203     -6.426414      1.609187
  H      -4.380059     -8.059080      2.238209
  H      -1.568343     -4.504083      0.834797
  H      -3.321981     -4.731689      0.755686
  H      -1.284458     -6.197915      2.502767
  H      -2.317121     -6.933494      1.245474
  C       0.450865     -3.483818      2.735771
  N      -0.600866     -2.696793      3.379418
  C      -1.881460     -2.576630      2.636925
  C      -1.640535     -1.840305      1.298092
  C      -2.905557     -1.285347      0.698973
  C      -3.467783     -0.105552      1.207657
  C      -4.642250      0.420607      0.669252
  C      -5.277702     -0.226073     -0.394670
  C      -4.724724     -1.396558     -0.915878
  C      -3.549051     -1.918455     -0.372261
  C      -7.648373     -7.070683      6.317648
  N      -6.814101     -5.874976      6.229798
  C      -6.753521     -5.130045      4.945005
  C      -8.095952     -5.133947      4.189490
  C      -9.194661     -4.275196      4.771026
  C     -10.217639     -3.810766      3.927387
  C     -11.261458     -3.027989      4.420519
  C     -11.299812     -2.683173      5.774514
  C     -10.282861     -3.126605      6.621628
  C      -9.240293     -3.915387      6.126441
  C      -3.377074     -6.436669      8.036135
  N      -3.256474     -4.994576      7.849287
  C      -2.393203     -4.553482      6.739566
  C      -0.900573     -4.637957      7.154032
  C      -0.523993     -3.550537      8.120559
  C      -0.616819     -3.736658      9.506656
  C      -0.311255     -2.700305     10.390852
  C       0.091630     -1.454714      9.902068
  C       0.189384     -1.256371      8.522766
  C      -0.115337     -2.296470      7.642224
  H       0.167026     -4.525270      2.485127
  H       1.320602     -3.529834      3.406960
  H       0.778938     -2.990483      1.809848
  H      -0.844218     -3.159223      4.261198
  H      -2.483542     -1.891536      3.258894
  H      -1.151089     -2.505877      0.572476
  H      -0.935408     -1.021814      1.509594
  H      -2.969825      0.410434      2.033443
  H      -5.065984      1.338109      1.081728
  H      -6.199997      0.181845     -0.812937
  H      -5.210546     -1.907184     -1.749785
  H      -3.117736     -2.829871     -0.792262
  H      -7.459746     -7.549143      7.289253
  H      -8.713368     -6.792941      6.297069
  H      -7.483723     -7.831660      5.529776
  H      -5.847613     -6.110826      6.463611
  H      -6.560046     -4.076655      5.213826
  H      -7.880848     -4.781994      3.169358
  H      -8.465225     -6.166942      4.076034
  H     -10.187981     -4.064643      2.864059
  H     -12.044828     -2.679200      3.744600
  H     -12.113900     -2.067904      6.162159
  H     -10.298105     -2.856927      7.679264
  H      -8.446202     -4.262634      6.791618
  H      -2.404306     -6.867330      8.318770
  H      -3.742048     -6.980641      7.141079
  H      -4.074106     -6.632170      8.862405
  H      -4.191065     -4.611032      7.688432
  H      -2.613097     -3.481479      6.634719
  H      -0.290051     -4.538911      6.243332
  H      -0.680003     -5.626695      7.582046
  H      -0.939353     -4.704894      9.894314
  H      -0.388620     -2.865489     11.467170
  H       0.332598     -0.644374     10.592340
  H       0.510361     -0.289725      8.129912
  H      -0.031340     -2.133660      6.563341
  N      -4.405040     -2.540195      5.141681
  H      -5.081982     -1.946132      4.632700
  H      -3.581594     -1.953136      5.306139
  H      -4.814081     -2.703069      6.066546
  N      -5.548940     -3.033902      2.542052
  N      -6.139240     -2.092769      2.717341
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300626271282
  N      -2.647319     -3.811677      2.541448
  C      -2.441961     -4.753964      1.443518
  C      -2.261559     -6.157321      2.020039
  N      -3.283967     -6.416231      3.078758
  C      -4.530369     -7.005971      2.518729
  C      -5.673294     -6.850667      3.517836
  N      -5.620609     -5.511790      4.099714
  Mo     -3.871396     -4.496030      4.005202
  N      -2.660615     -5.161048      5.429082
  C      -1.895322     -6.382026      5.113165
  C      -2.718785     -7.255372      4.178084
  H      -1.651637     -6.974411      6.010668
  H      -0.924768     -6.131001      4.637476
  H      -3.566274     -7.674084      4.737792
  H      -2.126278     -8.090703      3.763157
  H      -6.621912     -7.036842      2.979345
  H      -5.604892     -7.643087      4.292496
  H      -4.760409     -6.437075      1.606592
  H      -4.374717     -8.066755      2.244415
  H      -1.553070     -4.519734      0.833691
  H      -3.306017     -4.742577      0.748911
  H      -1.276762     -6.210465      2.504055
  H      -2.310417     -6.944843      1.247149
  C       0.456449     -3.498857      2.728045
  N      -0.586815     -2.696104      3.365547
  C      -1.869679     -2.581694      2.626356
  C      -1.640580     -1.845846      1.286240
  C      -2.914579     -1.286273      0.710973
  C      -3.470003     -0.112110      1.240862
  C      -4.661163      0.410461      0.737093
  C      -5.320832     -0.233599     -0.313388
  C      -4.775223     -1.398020     -0.855846
  C      -3.582674     -1.916819     -0.346461
  C      -7.647244     -7.058695      6.314367
  N      -6.814358     -5.862090      6.223081
  C      -6.751672     -5.124733      4.934227
  C      -8.092170     -5.134032      4.176397
  C      -9.193022     -4.274166      4.752756
  C     -10.217259     -3.818159      3.906391
  C     -11.261514     -3.032574      4.393804
  C     -11.299906     -2.677885      5.745391
  C     -10.282985     -3.115057      6.595673
  C      -9.239252     -3.905546      6.105630
  C      -3.385822     -6.421654      8.037855
  N      -3.259073     -4.981069      7.842465
  C      -2.388491     -4.548645      6.735143
  C      -0.897871     -4.637966      7.155870
  C      -0.520882     -3.549755      8.122118
  C      -0.618164     -3.733483      9.508294
  C      -0.311117     -2.696947     10.391859
  C       0.097562     -1.453462      9.902516
  C       0.199524     -1.257087      8.523076
  C      -0.106628     -2.297340      7.643346
  H       0.164940     -4.543241      2.499422
  H       1.331651     -3.536815      3.392460
  H       0.778347     -3.023655      1.790373
  H      -0.826576     -3.143729      4.255738
  H      -2.470557     -1.895403      3.248102
  H      -1.162851     -2.510582      0.552449
  H      -0.931312     -1.029121      1.490464
  H      -2.955148      0.401041      2.057951
  H      -5.078374      1.323691      1.165574
  H      -6.255230      0.171811     -0.705557
  H      -5.280726     -1.907376     -1.678709
  H      -3.160235     -2.826140     -0.779918
  H      -7.461248     -7.531941      7.289154
  H      -8.712503     -6.782729      6.288206
  H      -7.477795     -7.823318      5.531140
  H      -5.848373     -6.095098      6.461993
  H      -6.560107     -4.069655      5.197528
  H      -7.874822     -4.783874      3.156092
  H      -8.460094     -6.167519      4.064789
  H     -10.187910     -4.080964      2.845486
  H     -12.045364     -2.689786      3.715295
  H     -12.114311     -2.060722      6.129136
  H     -10.299189     -2.839341      7.652084
  H      -8.446610     -4.249778      6.774335
  H      -2.417257     -6.853562      8.331363
  H      -3.745253     -6.970529      7.143687
  H      -4.090662     -6.609379      8.859666
  H      -4.191346     -4.596549      7.672649
  H      -2.603042     -3.475971      6.625161
  H      -0.283950     -4.543382      6.247043
  H      -0.682443     -5.626351      7.587542
  H      -0.944931     -4.700259      9.896391
  H      -0.391615     -2.860582     11.468274
  H       0.339606     -0.643198     10.592502
  H       0.524869     -0.292014      8.129745
  H      -0.018916     -2.136512      6.564567
  N      -4.398449     -2.531880      5.128549
  H      -5.074297     -1.940522      4.614806
  H      -3.575189     -1.943730      5.291205
  H      -4.808924     -2.689805      6.053615
  N      -5.537811     -3.034689      2.523488
  N      -6.128230     -2.091772      2.690016
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300656764056
  N      -2.637893     -3.807720      2.541147
  C      -2.429123     -4.749991      1.443698
  C      -2.254999     -6.154984      2.018002
  N      -3.280550     -6.413363      3.074048
  C      -4.527563     -6.998720      2.512233
  C      -5.671687     -6.840930      3.509715
  N      -5.617712     -5.502749      4.093988
  Mo     -3.864437     -4.491779      4.001537
  N      -2.653410     -5.159924      5.423638
  C      -1.893686     -6.384826      5.110075
  C      -2.718868     -7.254711      4.173194
  H      -1.656659     -6.978295      6.008743
  H      -0.919842     -6.139531      4.638075
  H      -3.567672     -7.670993      4.732774
  H      -2.128888     -8.091853      3.758353
  H      -6.619721     -7.023646      2.969096
  H      -5.606533     -7.634144      4.283734
  H      -4.754513     -6.430387      1.599042
  H      -4.374334     -8.060154      2.238706
  H      -1.537252     -4.517713      0.837844
  H      -3.288610     -4.735925      0.743348
  H      -1.271307     -6.213575      2.503505
  H      -2.305192     -6.940191      1.242797
  C       0.452441     -3.502554      2.757743
  N      -0.585384     -2.675304      3.371484
  C      -1.865054     -2.573513      2.625165
  C      -1.641108     -1.840288      1.283922
  C      -2.923676     -1.294595      0.714318
  C      -3.500889     -0.139125      1.262394
  C      -4.707324      0.362920      0.774898
  C      -5.361582     -0.283270     -0.277447
  C      -4.794925     -1.429171     -0.837865
  C      -3.586933     -1.927687     -0.344486
  C      -7.651029     -7.042243      6.308313
  N      -6.815890     -5.846948      6.215816
  C      -6.750422     -5.113805      4.924579
  C      -8.089493     -5.124957      4.165183
  C      -9.191171     -4.265859      4.741954
  C     -10.220758     -3.818039      3.897862
  C     -11.263378     -3.030285      4.384858
  C     -11.295815     -2.666888      5.734536
  C     -10.275547     -3.098940      6.583062
  C      -9.232507     -3.890397      6.092906
  C      -3.384045     -6.419078      8.032278
  N      -3.257172     -4.978846      7.834752
  C      -2.381915     -4.548694      6.730696
  C      -0.892463     -4.642671      7.154831
  C      -0.514281     -3.555651      8.122337
  C      -0.614229     -3.738637      9.508385
  C      -0.304940     -2.702760     10.392079
  C       0.108474     -1.460756      9.903118
  C       0.213088     -1.264727      8.523578
  C      -0.095137     -2.304304      7.644034
  H       0.152802     -4.550919      2.560298
  H       1.327525     -3.527148      3.422816
  H       0.776473     -3.056618      1.806455
  H      -0.829398     -3.098155      4.272461
  H      -2.472238     -1.887321      3.241016
  H      -1.157473     -2.500683      0.550360
  H      -0.940207     -1.015957      1.486779
  H      -2.993474      0.372996      2.084486
  H      -5.140820      1.261522      1.218023
  H      -6.307416      0.105831     -0.657778
  H      -5.296453     -1.940634     -1.661817
  H      -3.150326     -2.824618     -0.789560
  H      -7.466867     -7.513902      7.284338
  H      -8.715686     -6.765062      6.279470
  H      -7.480064     -7.808478      5.527008
  H      -5.851034     -6.081439      6.457741
  H      -6.559523     -4.057859      5.185115
  H      -7.871173     -4.771724      3.146152
  H      -8.456683     -6.158289      4.051509
  H     -10.196202     -4.088699      2.838990
  H     -12.050625     -2.693047      3.707510
  H     -12.108828     -2.048218      6.118656
  H     -10.288387     -2.818660      7.638565
  H      -8.439675     -4.233773      6.761831
  H      -2.417978     -6.849176      8.335858
  H      -3.734000     -6.970660      7.135911
  H      -4.096883     -6.605941      8.847541
  H      -4.188764     -4.596224      7.658173
  H      -2.592828     -3.475091      6.620279
  H      -0.277360     -4.549728      6.246787
  H      -0.680166     -5.631248      7.587766
  H      -0.944591     -4.704510      9.896009
  H      -0.387270     -2.865974     11.468501
  H       0.352127     -0.651346     10.593532
  H       0.542153     -0.300717      8.130559
  H      -0.005200     -2.144740      6.565211
  N      -4.389557     -2.524845      5.123748
  H      -5.063220     -1.933771      4.606721
  H      -3.566160     -1.936708      5.286868
  H      -4.802403     -2.680196      6.048145
  N      -5.519348     -3.028871      2.515803
  N      -6.109317     -2.084033      2.674446
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300647215223
  N      -2.634981     -3.824096      2.537656
  C      -2.429996     -4.769314      1.441625
  C      -2.252594     -6.172134      2.020410
  N      -3.276526     -6.427990      3.078669
  C      -4.522548     -7.018299      2.519260
  C      -5.666685     -6.859929      3.516765
  N      -5.613476     -5.520964      4.098928
  Mo     -3.863865     -4.503895      3.998464
  N      -2.652826     -5.165320      5.423962
  C      -1.889563     -6.388964      5.114956
  C      -2.712869     -7.264168      4.180994
  H      -1.650949     -6.978482      6.015770
  H      -0.916339     -6.142855      4.641870
  H      -3.560952     -7.680113      4.741876
  H      -2.121205     -8.101474      3.768883
  H      -6.614839     -7.044402      2.976828
  H      -5.600539     -7.651855      4.292078
  H      -4.751086     -6.453200      1.604455
  H      -4.366906     -8.080233      2.249055
  H      -1.540766     -4.538094      0.831575
  H      -3.292672     -4.757981      0.745176
  H      -1.268343     -6.226563      2.505280
  H      -2.302118     -6.960635      1.248543
  C       0.469362     -3.520383      2.701853
  N      -0.563091     -2.710910      3.347731
  C      -1.852648     -2.595587      2.621161
  C      -1.643514     -1.852906      1.282728
  C      -2.930230     -1.287654      0.742153
  C      -3.473736     -0.119288      1.297947
  C      -4.683697      0.400372      0.838159
  C      -5.375020     -0.240180     -0.193721
  C      -4.841707     -1.397901     -0.762316
  C      -3.630336     -1.914474     -0.296530
  C      -7.655730     -7.063430      6.299973
  N      -6.821740     -5.866833      6.215290
  C      -6.748143     -5.131099      4.926263
  C      -8.084159     -5.136372      4.161011
  C      -9.180762     -4.265358      4.728895
  C     -10.186710     -3.787747      3.872782
  C     -11.224083     -2.988283      4.352046
  C     -11.274592     -2.642764      5.705790
  C     -10.277396     -3.104225      6.566429
  C      -9.239686     -3.907299      6.084047
  C      -3.382027     -6.414186      8.040264
  N      -3.260592     -4.974652      7.833672
  C      -2.385180     -4.546835      6.728526
  C      -0.896253     -4.631017      7.156272
  C      -0.525952     -3.535090      8.116917
  C      -0.626034     -3.710083      9.504062
  C      -0.324690     -2.666677     10.381618
  C       0.080579     -1.424888      9.885261
  C       0.185120     -1.236759      8.504634
  C      -0.114996     -2.283854      7.631206
  H       0.173653     -4.566855      2.489150
  H       1.355438     -3.551756      3.351429
  H       0.774748     -3.054751      1.754027
  H      -0.793176     -3.151943      4.243585
  H      -2.446784     -1.910944      3.251106
  H      -1.181364     -2.512817      0.534882
  H      -0.929739     -1.038133      1.479246
  H      -2.935699      0.390907      2.101636
  H      -5.090396      1.309067      1.286177
  H      -6.323399      0.162990     -0.552194
  H      -5.372250     -1.904868     -1.570669
  H      -3.220314     -2.820839     -0.747794
  H      -7.477603     -7.536670      7.276367
  H      -8.720596     -6.787514      6.264775
  H      -7.479012     -7.828158      5.518511
  H      -5.858544     -6.098884      6.466166
  H      -6.554939     -4.076508      5.190384
  H      -7.858615     -4.790261      3.141109
  H      -8.458531     -6.167571      4.051155
  H     -10.147278     -4.043938      2.810821
  H     -11.992566     -2.627534      3.665518
  H     -12.083230     -2.014656      6.083796
  H     -10.304089     -2.837280      7.625147
  H      -8.462791     -4.270888      6.760945
  H      -2.414547     -6.838479      8.347868
  H      -3.729342     -6.973051      7.147319
  H      -4.094756     -6.598006      8.856266
  H      -4.193428     -4.596760      7.652875
  H      -2.600846     -3.474700      6.612421
  H      -0.279195     -4.541723      6.249189
  H      -0.680476     -5.615520      7.596708
  H      -0.950068     -4.675790      9.897463
  H      -0.406917     -2.823830     11.458973
  H       0.317851     -0.609488     10.570808
  H       0.507685     -0.272859      8.105853
  H      -0.025440     -2.130023      6.551643
  N      -4.394572     -2.533349      5.115448
  H      -5.069374     -1.946074      4.595958
  H      -3.572279     -1.943245      5.277089
  H      -4.807626     -2.687137      6.040022
  N      -5.524571     -3.055061      2.511840
  N      -6.124766     -2.115592      2.664638
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300349779446
  N      -2.672620     -3.804759      2.553903
  C      -2.467034     -4.742806      1.451728
  C      -2.271631     -6.146735      2.022211
  N      -3.286824     -6.415793      3.084923
  C      -4.532068     -7.011813      2.527505
  C      -5.671805     -6.870677      3.532074
  N      -5.623490     -5.537051      4.126586
  Mo     -3.886540     -4.501888      4.022987
  N      -2.662759     -5.163126      5.437731
  C      -1.891148     -6.379060      5.115434
  C      -2.711256     -7.254948      4.179319
  H      -1.638533     -6.971721      6.009960
  H      -0.924028     -6.119556      4.636663
  H      -3.553750     -7.683142      4.739519
  H      -2.113322     -8.083636      3.758655
  H      -6.622066     -7.056743      2.996130
  H      -5.596885     -7.669623      4.299456
  H      -4.769922     -6.438914      1.619854
  H      -4.371265     -8.069972      2.245678
  H      -1.585946     -4.496247      0.834798
  H      -3.337746     -4.736472      0.765781
  H      -1.284362     -6.195035      2.501566
  H      -2.319949     -6.932855      1.247819
  C       0.449510     -3.500736      2.703146
  N      -0.593672     -2.725848      3.374337
  C      -1.881916     -2.586312      2.649233
  C      -1.652691     -1.835443      1.317298
  C      -2.923252     -1.276580      0.732015
  C      -3.497068     -0.115077      1.268621
  C      -4.665712      0.424490      0.731155
  C      -5.285954     -0.191299     -0.359167
  C      -4.723079     -1.344596     -0.907468
  C      -3.551911     -1.879083     -0.365310
  C      -7.660182     -7.130435      6.294783
  N      -6.834464     -5.927342      6.234035
  C      -6.760159     -5.164392      4.959570
  C      -8.095836     -5.160364      4.190148
  C      -9.188851     -4.283075      4.755209
  C     -10.173152     -3.774859      3.892068
  C     -11.208674     -2.971553      4.369980
  C     -11.276087     -2.648355      5.727798
  C     -10.296376     -3.134648      6.595222
  C      -9.262850     -3.944439      6.115337
  C      -3.406514     -6.405289      8.067583
  N      -3.262046     -4.968708      7.854845
  C      -2.388263     -4.551976      6.743785
  C      -0.898508     -4.649028      7.166378
  C      -0.511571     -3.545694      8.111494
  C      -0.614254     -3.700441      9.500646
  C      -0.299511     -2.649122     10.363886
  C       0.122673     -1.419969      9.850674
  C       0.230253     -1.252771      8.467771
  C      -0.083738     -2.307462      7.608238
  H       0.161681     -4.536046      2.432116
  H       1.326337     -3.562156      3.363594
  H       0.768168     -2.987061      1.784826
  H      -0.828715     -3.202873      4.250557
  H      -2.468753     -1.903721      3.288560
  H      -1.164704     -2.492058      0.582223
  H      -0.947673     -1.017542      1.532355
  H      -3.012489      0.376951      2.116041
  H      -5.097494      1.327804      1.166009
  H      -6.204600      0.226477     -0.776364
  H      -5.197118     -1.831255     -1.762179
  H      -3.109523     -2.773274     -0.810030
  H      -7.478973     -7.620414      7.261818
  H      -8.727690     -6.861271      6.264864
  H      -7.479478     -7.879219      5.498874
  H      -5.870190     -6.157790      6.482382
  H      -6.571288     -4.115141      5.246409
  H      -7.868049     -4.820317      3.169325
  H      -8.474722     -6.190478      4.083698
  H     -10.119889     -4.010857      2.825431
  H     -11.961383     -2.588192      3.678382
  H     -12.082255     -2.015092      6.102923
  H     -10.332941     -2.880819      7.656182
  H      -8.493256     -4.318672      6.795111
  H      -2.441731     -6.847871      8.359070
  H      -3.780418     -6.960332      7.183064
  H      -4.107556     -6.573402      8.896724
  H      -4.190221     -4.572990      7.685778
  H      -2.595252     -3.478621      6.628949
  H      -0.281411     -4.578962      6.257343
  H      -0.695466     -5.631169      7.618133
  H      -0.952259     -4.655605      9.907089
  H      -0.384776     -2.789808     11.443069
  H       0.370633     -0.598080     10.524683
  H       0.565654     -0.298984      8.056065
  H       0.008198     -2.169604      6.526733
  N      -4.414774     -2.546676      5.156753
  H      -5.098442     -1.955617      4.653946
  H      -3.592215     -1.956763      5.315649
  H      -4.816384     -2.711394      6.084738
  N      -5.579468     -3.056616      2.560904
  N      -6.190334     -2.129326      2.739466
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300646690692
  N      -2.651107     -3.798829      2.536524
  C      -2.446408     -4.740763      1.438039
  C      -2.263789     -6.145407      2.010530
  N      -3.281192     -6.406887      3.073894
  C      -4.529546     -6.998543      2.521403
  C      -5.667987     -6.845053      3.526208
  N      -5.615576     -5.507298      4.112416
  Mo     -3.868937     -4.485597      4.004557
  N      -2.645259     -5.148333      5.418860
  C      -1.881044     -6.369614      5.100954
  C      -2.707423     -7.244562      4.169712
  H      -1.635506     -6.961312      5.998443
  H      -0.911142     -6.119600      4.623463
  H      -3.550129     -7.665199      4.735189
  H      -2.115665     -8.078637      3.751242
  H      -6.618842     -7.030119      2.991308
  H      -5.595752     -7.638798      4.299044
  H      -4.765095     -6.432137      1.609153
  H      -4.373396     -8.059578      2.247855
  H      -1.560572     -4.503625      0.824997
  H      -3.311406     -4.729577      0.744351
  H      -1.276578     -6.201555      2.489076
  H      -2.317324     -6.930767      1.235684
  C       0.446298     -3.502683      2.736058
  N      -0.588703     -2.677223      3.357323
  C      -1.871711     -2.568664      2.617609
  C      -1.645692     -1.838715      1.274243
  C      -2.923658     -1.297010      0.691018
  C      -3.501108     -0.132989      1.219816
  C      -4.698206      0.370693      0.711424
  C      -5.342241     -0.282340     -0.343165
  C      -4.774515     -1.436710     -0.884761
  C      -3.576026     -1.936597     -0.370551
  C      -7.646671     -7.060007      6.319887
  N      -6.814739     -5.862055      6.232300
  C      -6.748977     -5.122477      4.944326
  C      -8.089079     -5.130964      4.184939
  C      -9.185290     -4.263055      4.759039
  C     -10.201037     -3.793755      3.910134
  C     -11.237927     -2.997241      4.395385
  C     -11.277764     -2.645723      5.747854
  C     -10.270289     -3.097911      6.601147
  C      -9.233477     -3.898520      6.113054
  C      -3.371802     -6.433602      8.016947
  N      -3.252896     -4.991105      7.831600
  C      -2.380058     -4.546135      6.731307
  C      -0.890690     -4.634244      7.157115
  C      -0.523338     -3.556588      8.139192
  C      -0.619735     -3.759894      9.522557
  C      -0.320995     -2.732957     10.420297
  C       0.077940     -1.479822      9.948315
  C       0.178326     -1.263346      8.571491
  C      -0.119369     -2.293898      7.677877
  H       0.147500     -4.551091      2.537876
  H       1.326027     -3.527610      3.395391
  H       0.763726     -3.054104      1.783712
  H      -0.830739     -3.101971      4.258064
  H      -2.472708     -1.879927      3.236966
  H      -1.156960     -2.502556      0.547052
  H      -0.946122     -1.012946      1.475886
  H      -2.998718      0.386857      2.040436
  H      -5.131994      1.276364      1.139539
  H      -6.281167      0.108007     -0.739647
  H      -5.267740     -1.953172     -1.710671
  H      -3.137109     -2.838821     -0.802399
  H      -7.459542     -7.535658      7.293342
  H      -8.712502     -6.785868      6.294124
  H      -7.474687     -7.822119      5.534842
  H      -5.849713     -6.095024      6.474969
  H      -6.558888     -4.067924      5.210790
  H      -7.871215     -4.784757      3.163770
  H      -8.460797     -6.163376      4.078721
  H     -10.170170     -4.054355      2.848775
  H     -12.014376     -2.643277      3.714089
  H     -12.085965     -2.019783      6.130368
  H     -10.288198     -2.825988      7.658676
  H      -8.448854     -4.254825      6.785019
  H      -2.402650     -6.861637      8.313663
  H      -3.721501     -6.978971      7.116783
  H      -4.081228     -6.631799      8.832634
  H      -4.186746     -4.612039      7.659448
  H      -2.598155     -3.473263      6.629689
  H      -0.274165     -4.526122      6.251648
  H      -0.672346     -5.626288      7.579106
  H      -0.938941     -4.734726      9.896763
  H      -0.400172     -2.911999     11.494421
  H       0.313528     -0.677428     10.649715
  H       0.495835     -0.290252      8.191735
  H      -0.033959     -2.118212      6.601225
  N      -4.394256     -2.518269      5.126098
  H      -5.074600     -1.931563      4.613361
  H      -3.572010     -1.926426      5.280916
  H      -4.799087     -2.672737      6.054197
  N      -5.541044     -3.040318      2.529005
  N      -6.144523     -2.104505      2.688081
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300251627767
  N      -2.619423     -3.841890      2.542825
  C      -2.409068     -4.790218      1.449279
  C      -2.235646     -6.191917      2.032467
  N      -3.269102     -6.445213      3.081973
  C      -4.510986     -7.033114      2.511461
  C      -5.662208     -6.874520      3.500581
  N      -5.609898     -5.537076      4.085284
  Mo     -3.860122     -4.519831      3.993411
  N      -2.660729     -5.180101      5.428628
  C      -1.901313     -6.408435      5.130781
  C      -2.720035     -7.281821      4.191147
  H      -1.673463     -6.996161      6.035749
  H      -0.922842     -6.168780      4.664924
  H      -3.575642     -7.692594      4.744387
  H      -2.128330     -8.122545      3.786189
  H      -6.606799     -7.056147      2.953542
  H      -5.603095     -7.667875      4.275018
  H      -4.731033     -6.466783      1.595513
  H      -4.354798     -8.094987      2.241470
  H      -1.516480     -4.561974      0.844194
  H      -3.267632     -4.780473      0.748038
  H      -1.255580     -6.244923      2.526065
  H      -2.278596     -6.982212      1.262073
  C       0.497802     -3.532175      2.696319
  N      -0.538364     -2.742885      3.359878
  C      -1.830551     -2.617982      2.639054
  C      -1.640325     -1.853187      1.312563
  C      -2.944212     -1.283892      0.819076
  C      -3.488217     -0.142031      1.428648
  C      -4.723060      0.368459      1.028116
  C      -5.439435     -0.253836      0.002441
  C      -4.906751     -1.384124     -0.619687
  C      -3.670619     -1.892541     -0.212737
  C      -7.680040     -7.081237      6.255798
  N      -6.841177     -5.887109      6.187299
  C      -6.750061     -5.146077      4.903472
  C      -8.077743     -5.139945      4.125473
  C      -9.168420     -4.257659      4.685380
  C     -10.144180     -3.739840      3.817715
  C     -11.176620     -2.931010      4.292118
  C     -11.253000     -2.618194      5.652691
  C     -10.286294     -3.121382      6.525238
  C      -9.253074     -3.932894      6.047312
  C      -3.408774     -6.387423      8.052703
  N      -3.274872     -4.951594      7.830327
  C      -2.390940     -4.545444      6.724708
  C      -0.903892     -4.635095      7.158199
  C      -0.520013     -3.512204      8.081610
  C      -0.628928     -3.636181      9.473654
  C      -0.314216     -2.567277     10.314986
  C       0.114049     -1.350792      9.776629
  C       0.228730     -1.214014      8.390722
  C      -0.084976     -2.286481      7.553628
  H       0.207210     -4.575308      2.461200
  H       1.382877     -3.572893      3.345716
  H       0.801408     -3.044783      1.759307
  H      -0.762308     -3.203032      4.247351
  H      -2.418891     -1.940112      3.281200
  H      -1.191898     -2.495775      0.541935
  H      -0.926433     -1.039110      1.512136
  H      -2.934259      0.351801      2.231419
  H      -5.129447      1.255830      1.517479
  H      -6.405892      0.142606     -0.310456
  H      -5.457543     -1.877230     -1.422901
  H      -3.264482     -2.781046     -0.701527
  H      -7.515156     -7.560651      7.231708
  H      -8.742953     -6.801176      6.209893
  H      -7.497431     -7.842338      5.472104
  H      -5.882185     -6.121190      6.451496
  H      -6.553410     -4.094224      5.175694
  H      -7.837869     -4.795936      3.107701
  H      -8.462058     -6.167139      4.011566
  H     -10.084605     -3.971721      2.751559
  H     -11.921536     -2.538550      3.597036
  H     -12.058476     -1.984075      6.027344
  H     -10.334584     -2.881701      7.589960
  H      -8.501098     -4.331114      6.732725
  H      -2.446747     -6.815290      8.371860
  H      -3.754863     -6.954400      7.164043
  H      -4.128200     -6.554979      8.866059
  H      -4.203365     -4.568864      7.638257
  H      -2.597563     -3.472892      6.592442
  H      -0.284079     -4.583540      6.250314
  H      -0.701698     -5.607366      7.630833
  H      -0.970578     -4.581863      9.899716
  H      -0.404002     -2.684521     11.396853
  H       0.361597     -0.515528     10.433813
  H       0.569927     -0.270574      7.959434
  H       0.014806     -2.173825      6.469789
  N      -4.397106     -2.547042      5.106638
  H      -5.067815     -1.959411      4.581862
  H      -3.574699     -1.958418      5.274132
  H      -4.816830     -2.700239      6.028190
  N      -5.515069     -3.075941      2.497297
  N      -6.121730     -2.138613      2.643346
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300691292839
  N      -2.649105     -3.811333      2.544778
  C      -2.439337     -4.753648      1.446822
  C      -2.256331     -6.157710      2.021007
  N      -3.279673     -6.420430      3.078331
  C      -4.524566     -7.011995      2.517633
  C      -5.667838     -6.862117      3.517494
  N      -5.617750     -5.526359      4.107852
  Mo     -3.873450     -4.500505      4.006150
  N      -2.656234     -5.162264      5.426222
  C      -1.892071     -6.384859      5.114008
  C      -2.713813     -7.258920      4.177748
  H      -1.652143     -6.976056      6.013417
  H      -0.919226     -6.136461      4.641363
  H      -3.560781     -7.678678      4.737487
  H      -2.120273     -8.093527      3.762831
  H      -6.616330     -7.045886      2.977886
  H      -5.598755     -7.658190      4.288238
  H      -4.755852     -6.443346      1.605730
  H      -4.366248     -8.072208      2.242161
  H      -1.551941     -4.515585      0.836680
  H      -3.302433     -4.744319      0.750937
  H      -1.271901     -6.210951      2.505668
  H      -2.303615     -6.943926      1.246635
  C       0.459088     -3.512028      2.736459
  N      -0.580737     -2.704998      3.372991
  C      -1.864357     -2.585425      2.636035
  C      -1.643035     -1.840854      1.300517
  C      -2.924209     -1.284390      0.738084
  C      -3.492631     -0.127730      1.292797
  C      -4.693641      0.388031      0.806019
  C      -5.351016     -0.245181     -0.252299
  C      -4.793183     -1.392253     -0.819092
  C      -3.590843     -1.904709     -0.326267
  C      -7.662696     -7.090666      6.291907
  N      -6.830732     -5.891913      6.218420
  C      -6.754561     -5.144443      4.935892
  C      -8.089903     -5.143554      4.168393
  C      -9.182215     -4.268998      4.738799
  C     -10.174974     -3.766528      3.881687
  C     -11.208143     -2.963821      4.364947
  C     -11.267216     -2.639797      5.723542
  C     -10.282426     -3.125365      6.585281
  C      -9.249267     -3.931883      6.099102
  C      -3.392825     -6.414939      8.036124
  N      -3.264017     -4.975372      7.835870
  C      -2.387093     -4.547960      6.732204
  C      -0.898354     -4.640565      7.159570
  C      -0.518239     -3.539708      8.110451
  C      -0.622062     -3.700080      9.498942
  C      -0.311417     -2.651060     10.366547
  C       0.107434     -1.418588      9.858553
  C       0.216250     -1.245341      8.476249
  C      -0.093431     -2.297846      7.612764
  H       0.166122     -4.557442      2.515080
  H       1.336503     -3.546416      3.397838
  H       0.777138     -3.041947      1.795042
  H      -0.820434     -3.148182      4.265351
  H      -2.460863     -1.900876      3.264007
  H      -1.164768     -2.497880      0.560298
  H      -0.937233     -1.021339      1.506617
  H      -2.981084      0.376344      2.117444
  H      -5.120018      1.287731      1.253801
  H      -6.292637      0.154786     -0.631996
  H      -5.297337     -1.893646     -1.647615
  H      -3.160361     -2.801781     -0.777029
  H      -7.483436     -7.572266      7.263951
  H      -8.728320     -6.816591      6.259338
  H      -7.484630     -7.848019      5.503583
  H      -5.867886     -6.124020      6.470313
  H      -6.562699     -4.092452      5.211031
  H      -7.863079     -4.797308      3.149025
  H      -8.468074     -6.173282      4.058149
  H     -10.128750     -4.005728      2.815975
  H     -11.966587     -2.583749      3.677624
  H     -12.072623     -2.009281      6.104502
  H     -10.315580     -2.875038      7.647779
  H      -8.481325     -4.313300      6.776476
  H      -2.427317     -6.846026      8.340676
  H      -3.743597     -6.967990      7.140807
  H      -4.106006     -6.598783      8.851643
  H      -4.195065     -4.592020      7.657384
  H      -2.598397     -3.474717      6.618733
  H      -0.280758     -4.563923      6.251737
  H      -0.690775     -5.623114      7.608272
  H      -0.956777     -4.658453      9.901125
  H      -0.396942     -2.796486     11.445248
  H       0.352145     -0.598910     10.536343
  H       0.549703     -0.288941      8.068608
  H      -0.000022     -2.156384      6.531649
  N      -4.406630     -2.534568      5.128365
  H      -5.085041     -1.947587      4.613449
  H      -3.585298     -1.942857      5.288498
  H      -4.815934     -2.691322      6.054090
  N      -5.547523     -3.059389      2.528046
  N      -6.157715     -2.127429      2.686029
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300682465461
  N      -2.644186     -3.806536      2.534212
  C      -2.441051     -4.750651      1.437034
  C      -2.258209     -6.154343      2.011766
  N      -3.275096     -6.413752      3.075875
  C      -4.523685     -7.005587      2.523921
  C      -5.662657     -6.850528      3.527806
  N      -5.608666     -5.513053      4.114030
  Mo     -3.862622     -4.490581      4.003003
  N      -2.640073     -5.151402      5.419157
  C      -1.875856     -6.373247      5.103823
  C      -2.702015     -7.249464      4.173400
  H      -1.630810     -6.963350      6.002359
  H      -0.905728     -6.124230      4.626071
  H      -3.545141     -7.669378      4.738744
  H      -2.109912     -8.084114      3.756541
  H      -6.613479     -7.034389      2.992362
  H      -5.592071     -7.644312      4.300802
  H      -4.758340     -6.440166      1.610890
  H      -4.368387     -8.067065      2.251433
  H      -1.555722     -4.515145      0.822740
  H      -3.306933     -4.740488      0.744637
  H      -1.270833     -6.210503      2.489920
  H      -2.312813     -6.940900      1.238198
  C       0.456835     -3.506606      2.700325
  N      -0.573289     -2.690053      3.341066
  C      -1.863281     -2.578137      2.615178
  C      -1.654157     -1.839002      1.275052
  C      -2.944330     -1.301252      0.714997
  C      -3.528891     -0.153334      1.270711
  C      -4.738717      0.344142      0.786755
  C      -5.389148     -0.299326     -0.269606
  C      -4.815012     -1.437574     -0.837890
  C      -3.603663     -1.931392     -0.348023
  C      -7.648786     -7.066262      6.308626
  N      -6.817064     -5.867846      6.228514
  C      -6.743761     -5.126330      4.942298
  C      -8.080883     -5.130705      4.177128
  C      -9.174065     -4.251801      4.740291
  C     -10.172756     -3.767117      3.880013
  C     -11.207038     -2.960863      4.354853
  C     -11.260922     -2.614342      5.707993
  C     -10.269855     -3.081262      6.572754
  C      -9.235938     -3.891814      6.095040
  C      -3.375069     -6.423901      8.026974
  N      -3.252313     -4.982830      7.831476
  C      -2.376155     -4.545353      6.730497
  C      -0.887959     -4.632952      7.160696
  C      -0.522696     -3.551105      8.139359
  C      -0.623018     -3.749550      9.523214
  C      -0.326598     -2.719618     10.418265
  C       0.073822     -1.468133      9.943062
  C       0.177933     -1.256411      8.565791
  C      -0.117396     -2.289959      7.674820
  H       0.157977     -4.553743      2.494788
  H       1.343704     -3.536057      3.349495
  H       0.762952     -3.047755      1.749078
  H      -0.804176     -3.123608      4.240319
  H      -2.458412     -1.892879      3.244036
  H      -1.170803     -2.494504      0.536628
  H      -0.956995     -1.010704      1.474565
  H      -3.023631      0.357627      2.094698
  H      -5.177908      1.236901      1.236015
  H      -6.337913      0.086000     -0.646840
  H      -5.313220     -1.946335     -1.665513
  H      -3.159976     -2.821102     -0.800389
  H      -7.466858     -7.544250      7.281889
  H      -8.714513     -6.792446      6.277727
  H      -7.472490     -7.826350      5.522600
  H      -5.853548     -6.099935      6.477775
  H      -6.552234     -4.072812      5.211656
  H      -7.855773     -4.792412      3.154974
  H      -8.458809     -6.161380      4.075349
  H     -10.130657     -4.023701      2.818134
  H     -11.970166     -2.595139      3.664786
  H     -12.066758     -1.980422      6.082280
  H     -10.298344     -2.812838      7.630962
  H      -8.462708     -4.257257      6.775195
  H      -2.407464     -6.852479      8.327644
  H      -3.725837     -6.974972      7.130778
  H      -4.085589     -6.613968      8.843664
  H      -4.184993     -4.602677      7.655109
  H      -2.592092     -3.472518      6.623728
  H      -0.268179     -4.529852      6.256882
  H      -0.672226     -5.623186      7.588206
  H      -0.943492     -4.722987      9.899988
  H      -0.408862     -2.894969     11.492771
  H       0.307407     -0.663294     10.642293
  H       0.496243     -0.284528      8.183522
  H      -0.029035     -2.117555      6.598066
  N      -4.386357     -2.520717      5.121464
  H      -5.067350     -1.934869      4.608659
  H      -3.563496     -1.929154      5.274616
  H      -4.790304     -2.673484      6.050297
  N      -5.535862     -3.050969      2.525958
  N      -6.142825     -2.116659      2.682051
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300705764978
  N      -2.646400     -3.808130      2.541322
  C      -2.439240     -4.750706      1.443328
  C      -2.256516     -6.155014      2.016927
  N      -3.277022     -6.417015      3.077162
  C      -4.523395     -7.008848      2.520191
  C      -5.664840     -6.857435      3.521952
  N      -5.613121     -5.521512      4.111980
  Mo     -3.868602     -4.495802      4.005167
  N      -2.648140     -5.157132      5.422830
  C      -1.884035     -6.379466      5.109309
  C      -2.707758     -7.254422      4.175539
  H      -1.642137     -6.970175      6.008435
  H      -0.912248     -6.130982      4.634571
  H      -3.552949     -7.674321      4.737826
  H      -2.114875     -8.088961      3.759552
  H      -6.614334     -7.040566      2.983892
  H      -5.595250     -7.653227      4.292948
  H      -4.756327     -6.441451      1.607931
  H      -4.366068     -8.069504      2.245756
  H      -1.552654     -4.513337      0.831639
  H      -3.303385     -4.740559      0.748695
  H      -1.270793     -6.210057      2.498684
  H      -2.307060     -6.940808      1.242329
  C       0.458115     -3.509489      2.722222
  N      -0.576726     -2.696829      3.359955
  C      -1.863332     -2.581069      2.628383
  C      -1.648903     -1.839167      1.290445
  C      -2.935632     -1.293548      0.730185
  C      -3.512120     -0.140829      1.284652
  C      -4.718924      0.363930      0.800734
  C      -5.374438     -0.276900     -0.254138
  C      -4.808366     -1.419890     -0.820980
  C      -3.599860     -1.920883     -0.331432
  C      -7.659491     -7.082647      6.296148
  N      -6.827465     -5.883964      6.222248
  C      -6.750141     -5.137859      4.938989
  C      -8.085422     -5.137685      4.170937
  C      -9.176853     -4.259209      4.737301
  C     -10.167187     -3.757295      3.877166
  C     -11.199520     -2.951047      4.356300
  C     -11.259946     -2.622454      5.713684
  C     -10.277333     -3.107080      6.578406
  C      -9.245216     -3.917380      6.096417
  C      -3.383385     -6.419316      8.030851
  N      -3.257717     -4.978917      7.833611
  C      -2.381341     -4.546545      6.731171
  C      -0.892776     -4.636835      7.159549
  C      -0.519240     -3.544203      8.122638
  C      -0.621194     -3.721302      9.509241
  C      -0.316892     -2.680420     10.388845
  C       0.093474     -1.439393      9.895033
  C       0.199973     -1.249261      8.514779
  C      -0.103313     -2.293673      7.639310
  H       0.162277     -4.556197      2.510756
  H       1.340598     -3.540049      3.377180
  H       0.769544     -3.046569      1.774904
  H      -0.812239     -3.134205      4.256231
  H      -2.459317     -1.896395      3.256870
  H      -1.168243     -2.495418      0.551026
  H      -0.947922     -1.014588      1.492424
  H      -3.002435      0.368810      2.106987
  H      -5.151682      1.260496      1.248659
  H      -6.320870      0.114098     -0.631318
  H      -5.310709     -1.926843     -1.647227
  H      -3.162792     -2.814669     -0.782381
  H      -7.480040     -7.563998      7.268250
  H      -8.725113     -6.808622      6.263673
  H      -7.481437     -7.840160      5.508019
  H      -5.864870     -6.116215      6.474831
  H      -6.558221     -4.085645      5.213176
  H      -7.857981     -4.795530      3.150463
  H      -8.465013     -6.167271      4.064563
  H     -10.119772     -3.999934      2.812257
  H     -11.956035     -2.571531      3.666480
  H     -12.064472     -1.988898      6.091428
  H     -10.311320     -2.852992      7.639976
  H      -8.478691     -4.297352      6.776264
  H      -2.416835     -6.849177      8.333550
  H      -3.733837     -6.970983      7.134697
  H      -4.095458     -6.606674      8.846660
  H      -4.189638     -4.597288      7.656094
  H      -2.594908     -3.473472      6.620790
  H      -0.274385     -4.548446      6.253289
  H      -0.681412     -5.622776      7.598962
  H      -0.949365     -4.686476      9.900379
  H      -0.400745     -2.838974     11.465827
  H       0.333243     -0.626066     10.582210
  H       0.526552     -0.285906      8.118137
  H      -0.012334     -2.138735      6.559953
  N      -4.398624     -2.527521      5.125368
  H      -5.078494     -1.941883      4.610966
  H      -3.576933     -1.935329      5.281964
  H      -4.805500     -2.682057      6.052566
  N      -5.542234     -3.058584      2.527257
  N      -6.154046     -2.127195      2.682081
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300708953048
  N      -2.647144     -3.808529      2.543412
  C      -2.439269     -4.750696      1.445093
  C      -2.256277     -6.155240      2.018097
  N      -3.277096     -6.418136      3.077844
  C      -4.523069     -7.010171      2.520189
  C      -5.664823     -6.860022      3.521839
  N      -5.613448     -5.524828      4.113545
  Mo     -3.869844     -4.497399      4.006383
  N      -2.649021     -5.158607      5.423789
  C      -1.884762     -6.380881      5.110449
  C      -2.708050     -7.255746      4.176183
  H      -1.643187     -6.971645      6.009636
  H      -0.912807     -6.132324      4.636068
  H      -3.553386     -7.675960      4.738014
  H      -2.114844     -8.090046      3.760165
  H      -6.614168     -7.042632      2.983317
  H      -5.595342     -7.656689      4.291938
  H      -4.755998     -6.442278      1.608240
  H      -4.365226     -8.070581      2.245076
  H      -1.552627     -4.512780      0.833743
  H      -3.303246     -4.740564      0.750279
  H      -1.270722     -6.210314      2.500192
  H      -2.306351     -6.940646      1.243072
  C       0.458411     -3.509186      2.725294
  N      -0.577296     -2.698168      3.363655
  C      -1.863709     -2.581716      2.631932
  C      -1.649569     -1.838206      1.294802
  C      -2.936772     -1.292570      0.735467
  C      -3.514217     -0.141211      1.291805
  C      -4.721386      0.363419      0.808655
  C      -5.376270     -0.276050     -0.247420
  C      -4.809242     -1.417597     -0.816191
  C      -3.600433     -1.918551     -0.327324
  C      -7.662729     -7.089528      6.291856
  N      -6.831136     -5.890322      6.221505
  C      -6.751344     -5.142031      4.939657
  C      -8.085704     -5.139620      4.169805
  C      -9.175686     -4.258693      4.734979
  C     -10.159505     -3.747747      3.872715
  C     -11.190355     -2.939108      4.351103
  C     -11.255783     -2.617265      5.709856
  C     -10.279539     -3.110876      6.576767
  C      -9.248899     -3.923455      6.095517
  C      -3.383770     -6.418819      8.032307
  N      -3.257750     -4.978542      7.834473
  C      -2.381617     -4.547102      6.731529
  C      -0.892879     -4.637443      7.159352
  C      -0.517791     -3.542215      8.118857
  C      -0.619839     -3.714553      9.506058
  C      -0.314101     -2.671116     10.382127
  C       0.097854     -1.432291      9.884104
  C       0.204557     -1.246963      8.503204
  C      -0.100170     -2.293913      7.631274
  H       0.163527     -4.555844      2.512370
  H       1.340586     -3.539797      3.380614
  H       0.769842     -3.044810      1.778733
  H      -0.812834     -3.136751      4.259340
  H      -2.459609     -1.897676      3.261171
  H      -1.168822     -2.493490      0.554604
  H      -0.948853     -1.013542      1.497410
  H      -3.005059      0.367556      2.114977
  H      -5.154860      1.258912      1.258040
  H      -6.322933      0.114874     -0.624031
  H      -5.311079     -1.923479     -1.643399
  H      -3.162586     -2.811139     -0.779871
  H      -7.484476     -7.572654      7.263309
  H      -8.728465     -6.815955      6.258390
  H      -7.483244     -7.845485      5.502563
  H      -5.869024     -6.122238      6.476248
  H      -6.559161     -4.090490      5.216211
  H      -7.856454     -4.798333      3.149466
  H      -8.467201     -6.168503      4.063522
  H     -10.108062     -3.985074      2.806820
  H     -11.941754     -2.552486      3.659654
  H     -12.059178     -1.981940      6.087038
  H     -10.317431     -2.862051      7.639466
  H      -8.487010     -4.310025      6.776846
  H      -2.417306     -6.848825      8.335101
  H      -3.734455     -6.970751      7.136377
  H      -4.095836     -6.605567      8.848245
  H      -4.189615     -4.596869      7.656795
  H      -2.594984     -3.474039      6.620363
  H      -0.274874     -4.552123      6.252550
  H      -0.682098     -5.622298      7.601480
  H      -0.949236     -4.677984      9.900463
  H      -0.398059     -2.825936     11.459649
  H       0.338749     -0.616975     10.568517
  H       0.532446     -0.285393      8.103303
  H      -0.008898     -2.142804      6.551365
  N      -4.401179     -2.529132      5.126713
  H      -5.081415     -1.944005      4.612296
  H      -3.579804     -1.936494      5.283279
  H      -4.807999     -2.683802      6.053908
  N      -5.544615     -3.062957      2.528517
  N      -6.159334     -2.133282      2.682156
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300714891630
  N      -2.648533     -3.808540      2.546043
  C      -2.440149     -4.750065      1.447105
  C      -2.255819     -6.154965      2.018945
  N      -3.275949     -6.419736      3.079022
  C      -4.521463     -7.012998      2.521631
  C      -5.662998     -6.865479      3.524090
  N      -5.612056     -5.531842      4.119401
  Mo     -3.871159     -4.499593      4.008464
  N      -2.648043     -5.159597      5.424488
  C      -1.882883     -6.381326      5.111228
  C      -2.705609     -7.256914      4.177028
  H      -1.640846     -6.971734      6.010526
  H      -0.911153     -6.132150      4.636668
  H      -3.550388     -7.678166      4.738904
  H      -2.111562     -8.090469      3.760688
  H      -6.612495     -7.047077      2.985436
  H      -5.593018     -7.663952      4.292265
  H      -4.755517     -6.444653      1.610252
  H      -4.362405     -8.072977      2.245469
  H      -1.553987     -4.511000      0.835526
  H      -3.304477     -4.740208      0.752750
  H      -1.269984     -6.210095      2.500465
  H      -2.305860     -6.939605      1.243140
  C       0.458277     -3.507672      2.725012
  N      -0.577622     -2.698768      3.365659
  C      -1.864857     -2.581890      2.635841
  C      -1.653670     -1.836108      1.299449
  C      -2.943279     -1.293320      0.742570
  C      -3.524813     -0.145813      1.302616
  C      -4.734073      0.355795      0.821520
  C      -5.387034     -0.282806     -0.236250
  C      -4.815970     -1.420434     -0.808792
  C      -3.605114     -1.918405     -0.321921
  C      -7.667880     -7.104268      6.284255
  N      -6.837820     -5.903531      6.222078
  C      -6.751903     -5.150543      4.943354
  C      -8.084260     -5.142831      4.169392
  C      -9.169715     -4.254319      4.730876
  C     -10.135087     -3.718696      3.862870
  C     -11.161348     -2.902665      4.338820
  C     -11.240462     -2.598294      5.700812
  C     -10.282242     -3.116443      6.573645
  C      -9.256253     -3.936186      6.094840
  C      -3.383422     -6.418436      8.032762
  N      -3.256992     -4.978181      7.834863
  C      -2.380829     -4.547186      6.731780
  C      -0.892030     -4.636809      7.159663
  C      -0.516409     -3.538842      8.115838
  C      -0.619092     -3.706637      9.503569
  C      -0.312925     -2.660586     10.376362
  C       0.100124     -1.423673      9.874467
  C       0.207553     -1.242934      8.493008
  C      -0.097598     -2.292484      7.624350
  H       0.164631     -4.554585      2.511797
  H       1.341552     -3.537279      3.378818
  H       0.767294     -3.042080      1.778324
  H      -0.811509     -3.138413      4.261231
  H      -2.460059     -1.899010      3.266975
  H      -1.172382     -2.489478      0.557924
  H      -0.954625     -1.009948      1.501780
  H      -3.017358      0.362604      2.127017
  H      -5.170661      1.248304      1.273829
  H      -6.335318      0.105714     -0.611199
  H      -5.316232     -1.925593     -1.637393
  H      -3.164056     -2.807826     -0.777565
  H      -7.492086     -7.591416      7.254156
  H      -8.734039     -6.832216      6.248626
  H      -7.484860     -7.856535      5.492289
  H      -5.876908     -6.134139      6.482465
  H      -6.558951     -4.100612      5.225331
  H      -7.850817     -4.805348      3.148842
  H      -8.471179     -6.169863      4.065073
  H     -10.072560     -3.942193      2.794613
  H     -11.898227     -2.496579      3.642946
  H     -12.040279     -1.957375      6.076130
  H     -10.330783     -2.881237      7.639023
  H      -8.507375     -4.340585      6.780253
  H      -2.417067     -6.848809      8.335443
  H      -3.734540     -6.970207      7.136875
  H      -4.095438     -6.604733      8.848830
  H      -4.188824     -4.596676      7.656584
  H      -2.594556     -3.474221      6.619796
  H      -0.273972     -4.554154      6.252662
  H      -0.681547     -5.620465      7.604589
  H      -0.949350     -4.668552      9.900961
  H      -0.397388     -2.811848     11.454357
  H       0.341358     -0.606313     10.556310
  H       0.536372     -0.282917      8.090123
  H      -0.005627     -2.144966      6.543974
  N      -4.405006     -2.530211      5.127749
  H      -5.087067     -1.947256      4.613574
  H      -3.584450     -1.935953      5.282428
  H      -4.810363     -2.684258      6.055688
  N      -5.549892     -3.074683      2.530707
  N      -6.172787     -2.149792      2.680076
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300718371496
  N      -2.649833     -3.808483      2.546962
  C      -2.441863     -4.749666      1.447586
  C      -2.256047     -6.154717      2.018694
  N      -3.274758     -6.420794      3.079926
  C      -4.520253     -7.015363      2.523882
  C      -5.660931     -6.869690      3.527730
  N      -5.610073     -5.537117      4.125491
  Mo     -3.871526     -4.500886      4.009981
  N      -2.645880     -5.159542      5.424488
  C      -1.879798     -6.380635      5.110944
  C      -2.702377     -7.257225      4.177451
  H      -1.636662     -6.970599      6.010236
  H      -0.908633     -6.130702      4.635615
  H      -3.546198     -7.679485      4.739987
  H      -2.107658     -8.090076      3.760639
  H      -6.610901     -7.050722      2.989671
  H      -5.589967     -7.669367      4.294555
  H      -4.755904     -6.447031      1.612916
  H      -4.360301     -8.075078      2.247158
  H      -1.556404     -4.509906      0.835254
  H      -3.306872     -4.740163      0.754076
  H      -1.269580     -6.209817      2.498918
  H      -2.306711     -6.938876      1.242437
  C       0.456925     -3.505843      2.721391
  N      -0.578302     -2.697495      3.363815
  C      -1.866764     -2.581420      2.636324
  C      -1.658864     -1.834771      1.299887
  C      -2.950691     -1.295074      0.744955
  C      -3.536196     -0.151110      1.308086
  C      -4.747333      0.347496      0.828562
  C      -5.398329     -0.290646     -0.230681
  C      -4.823392     -1.424775     -0.806293
  C      -3.610659     -1.919712     -0.320991
  C      -7.669363     -7.115229      6.280726
  N      -6.841544     -5.912645      6.224557
  C      -6.751181     -5.156581      4.947975
  C      -8.082243     -5.145140      4.171091
  C      -9.163770     -4.249321      4.728248
  C     -10.112820     -3.694015      3.854740
  C     -11.135095     -2.870833      4.327171
  C     -11.226316     -2.578954      5.691072
  C     -10.283965     -3.116490      6.569556
  C      -9.262051     -3.943227      6.094284
  C      -3.379941     -6.419590      8.032449
  N      -3.254978     -4.979102      7.834936
  C      -2.379311     -4.547015      6.731843
  C      -0.890436     -4.635022      7.159773
  C      -0.516129     -3.536879      8.116322
  C      -0.618702     -3.705315      9.503998
  C      -0.313769     -2.659271     10.377221
  C       0.097897     -1.421680      9.875836
  C       0.205169     -1.240285      8.494454
  C      -0.098742     -2.289848      7.625355
  H       0.163648     -4.553139      2.509631
  H       1.341782     -3.534118      3.373080
  H       0.763201     -3.040618      1.773650
  H      -0.810122     -3.136884      4.260036
  H      -2.461464     -1.899270      3.268724
  H      -1.177104     -2.486892      0.557569
  H      -0.961417     -1.007031      1.501293
  H      -3.030521      0.357079      2.133690
  H      -5.186944      1.237281      1.283308
  H      -6.348079      0.095486     -0.604350
  H      -5.322058     -1.929556     -1.636083
  H      -3.166548     -2.806356     -0.779077
  H      -7.494891     -7.605164      7.249465
  H      -8.736147     -6.845272      6.243545
  H      -7.483097     -7.864588      5.486811
  H      -5.881471     -6.141383      6.489577
  H      -6.557603     -4.107814      5.233702
  H      -7.845606     -4.812315      3.149868
  H      -8.473838     -6.170701      4.069953
  H     -10.040534     -3.907611      2.785097
  H     -11.859166     -2.449332      3.627039
  H     -12.022962     -1.932522      6.063671
  H     -10.341784     -2.890848      7.636552
  H      -8.524268     -4.361000      6.783659
  H      -2.413051     -6.849150      8.334554
  H      -3.731024     -6.971348      7.136545
  H      -4.091379     -6.606747      8.848841
  H      -4.187236     -4.598743      7.656408
  H      -2.594272     -3.474251      6.619886
  H      -0.272375     -4.551413      6.252862
  H      -0.678885     -5.618539      7.604515
  H      -0.947877     -4.667765      9.901000
  H      -0.398102     -2.811062     11.455155
  H       0.338172     -0.604307     10.558001
  H       0.532898     -0.279729      8.091950
  H      -0.006863     -2.141699      6.545066
  N      -4.406975     -2.530036      5.127849
  H      -5.090963     -1.949218      4.614073
  H      -3.587104     -1.934207      5.280095
  H      -4.810419     -2.683174      6.056774
  N      -5.554045     -3.084587      2.532193
  N      -6.183510     -2.163539      2.677421
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300719906239
  N      -2.650443     -3.808140      2.546793
  C      -2.443183     -4.749123      1.447182
  C      -2.256426     -6.154199      2.018023
  N      -3.273898     -6.420850      3.080355
  C      -4.519544     -7.016375      2.525627
  C      -5.659392     -6.871534      3.530619
  N      -5.608500     -5.539387      4.129371
  Mo     -3.871315     -4.500980      4.010641
  N      -2.644201     -5.158787      5.424310
  C      -1.877273     -6.379254      5.110276
  C      -2.699809     -7.256670      4.177488
  H      -1.632949     -6.968926      6.009426
  H      -0.906709     -6.128506      4.634144
  H      -3.542810     -7.679648      4.740688
  H      -2.104650     -8.089005      3.760290
  H      -6.609812     -7.052491      2.993310
  H      -5.587507     -7.671684      4.296854
  H      -4.756475     -6.448242      1.614878
  H      -4.359069     -8.075984      2.248782
  H      -1.558175     -4.509163      0.834237
  H      -3.308698     -4.739814      0.754271
  H      -1.269406     -6.209144      2.497123
  H      -2.307707     -6.938186      1.241633
  C       0.454999     -3.504055      2.718608
  N      -0.579427     -2.694654      3.361069
  C      -1.868678     -2.580231      2.634792
  C      -1.662660     -1.834271      1.297716
  C      -2.955560     -1.296892      0.743111
  C      -3.543784     -0.154951      1.307464
  C      -4.755888      0.341558      0.828195
  C      -5.405222     -0.296802     -0.231951
  C      -4.827649     -1.429034     -0.808684
  C      -3.613930     -1.921809     -0.323662
  C      -7.668285     -7.120111      6.280554
  N      -6.842520     -5.915982      6.227037
  C      -6.750142     -5.158940      4.951270
  C      -8.080770     -5.146046      4.173153
  C      -9.160131     -4.246195      4.727753
  C     -10.098933     -3.678874      3.850973
  C     -11.119077     -2.851741      4.321244
  C     -11.218290     -2.567925      5.686233
  C     -10.285941     -3.117337      6.568111
  C      -9.266237     -3.947945      6.095012
  C      -3.378042     -6.419793      8.032043
  N      -3.253484     -4.979161      7.834975
  C      -2.378046     -4.546433      6.731837
  C      -0.889163     -4.633638      7.159818
  C      -0.516096     -3.536897      8.118474
  C      -0.618312     -3.708318      9.505819
  C      -0.314527     -2.663747     10.381192
  C       0.095585     -1.424609      9.882349
  C       0.202400     -1.240193      8.501348
  C      -0.100353     -2.288313      7.630088
  H       0.161260     -4.551679      2.509060
  H       1.340802     -3.531331      3.369089
  H       0.759977     -3.040427      1.769621
  H      -0.810098     -3.132776      4.258191
  H      -2.463570     -1.898238      3.267203
  H      -1.180420     -2.486210      0.555546
  H      -0.966289     -1.005402      1.498177
  H      -3.039543      0.353359      2.133894
  H      -5.197586      1.229817      1.283897
  H      -6.355737      0.087677     -0.605417
  H      -5.325005     -1.934020     -1.639137
  H      -3.167800     -2.807068     -0.782485
  H      -7.493830     -7.611185      7.248711
  H      -8.735654     -6.852018      6.242896
  H      -7.480085     -7.867941      5.485705
  H      -5.882761     -6.143000      6.494587
  H      -6.556275     -4.110658      5.238469
  H      -7.842818     -4.816271      3.151344
  H      -8.474761     -6.170923      4.074484
  H     -10.020283     -3.886145      2.780533
  H     -11.835101     -2.420801      3.618562
  H     -12.013249     -1.918470      6.057177
  H     -10.349918     -2.897911      7.636040
  H      -8.535455     -4.373865      6.786846
  H      -2.410825     -6.849277      8.333147
  H      -3.729874     -6.971185      7.136253
  H      -4.088687     -6.607427      8.849034
  H      -4.185886     -4.599074      7.656588
  H      -2.593659     -3.473775      6.620049
  H      -0.271132     -4.547870      6.253076
  H      -0.676679     -5.617713      7.602865
  H      -0.946289     -4.671976      9.900855
  H      -0.398549     -2.817895     11.458811
  H       0.334953     -0.608361     10.566181
  H       0.528838     -0.278390      8.100792
  H      -0.008917     -2.137659      6.550134
  N      -4.407663     -2.528877      5.127222
  H      -5.092943     -1.949540      4.613675
  H      -3.588243     -1.931958      5.277581
  H      -4.809655     -2.681226      6.056907
  N      -5.555844     -3.089934      2.532176
  N      -6.188663     -2.170754      2.674252
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300721149962
  N      -2.650685     -3.808448      2.546745
  C      -2.444028     -4.749259      1.446957
  C      -2.256977     -6.154334      2.017789
  N      -3.273848     -6.421069      3.080684
  C      -4.519666     -7.016901      2.526605
  C      -5.658969     -6.872352      3.532275
  N      -5.607995     -5.540304      4.131210
  Mo     -3.871253     -4.501292      4.011072
  N      -2.643838     -5.158907      5.424590
  C      -1.876521     -6.379049      5.110160
  C      -2.699013     -7.256742      4.177596
  H      -1.631602     -6.968736      6.009145
  H      -0.906255     -6.127851      4.633655
  H      -3.541651     -7.680081      4.741054
  H      -2.103668     -8.088816      3.760163
  H      -6.609692     -7.053433      2.995534
  H      -5.586434     -7.672618      4.298319
  H      -4.757232     -6.448786      1.616016
  H      -4.359030     -8.076456      2.249663
  H      -1.559113     -4.509465      0.833783
  H      -3.309714     -4.739917      0.754231
  H      -1.269693     -6.209096      2.496359
  H      -2.308568     -6.938340      1.241441
  C       0.453490     -3.502591      2.717409
  N      -0.580656     -2.692553      3.359572
  C      -1.870262     -2.579676      2.633519
  C      -1.664857     -1.834609      1.295897
  C      -2.957857     -1.297744      0.741120
  C      -3.546591     -0.156174      1.305675
  C      -4.758673      0.340161      0.826173
  C      -5.407512     -0.298101     -0.234348
  C      -4.829484     -1.430057     -0.811192
  C      -3.615757     -1.922611     -0.325972
  C      -7.666308     -7.122081      6.281636
  N      -6.842376     -5.916640      6.228892
  C      -6.749604     -5.159669      4.953215
  C      -8.080294     -5.146592      4.174905
  C      -9.158802     -4.244798      4.727926
  C     -10.092064     -3.671538      3.849120
  C     -11.111456     -2.842533      4.317794
  C     -11.215376     -2.562705      5.683226
  C     -10.288403     -3.117889      6.567190
  C      -9.269511     -3.950355      6.095686
  C      -3.375005     -6.420944      8.032485
  N      -3.252065     -4.980115      7.835635
  C      -2.377538     -4.546508      6.732076
  C      -0.888416     -4.632527      7.159369
  C      -0.516227     -3.536829      8.119556
  C      -0.617312     -3.710706      9.506683
  C      -0.314310     -2.667242     10.383634
  C       0.093861     -1.426719      9.886639
  C       0.199486     -1.239815      8.505891
  C      -0.102482     -2.286856      7.633049
  H       0.159335     -4.550249      2.508582
  H       1.339418     -3.529782      3.367731
  H       0.758463     -3.039654      1.768061
  H      -0.810915     -3.130113      4.257081
  H      -2.465644     -1.897680      3.265475
  H      -1.182645     -2.486890      0.554008
  H      -0.968611     -1.005500      1.495824
  H      -3.042719      0.351971      2.132437
  H      -5.200767      1.228158      1.281999
  H      -6.357998      0.086251     -0.608021
  H      -5.326462     -1.934991     -1.641903
  H      -3.169267     -2.807716     -0.784761
  H      -7.491290     -7.613335      7.249601
  H      -8.734200     -6.855624      6.243946
  H      -7.476877     -7.869226      5.486474
  H      -5.882595     -6.142140      6.497625
  H      -6.555571     -4.111470      5.240513
  H      -7.842016     -4.818667      3.152627
  H      -8.475193     -6.171294      4.078004
  H     -10.009716     -3.875708      2.778368
  H     -11.823134     -2.406984      3.613536
  H     -12.009706     -1.911789      6.052957
  H     -10.355951     -2.901459      7.635513
  H      -8.542355     -4.379890      6.789056
  H      -2.407065     -6.849423      8.332648
  H      -3.727013     -6.972466      7.136860
  H      -4.084684     -6.609604      8.850091
  H      -4.184899     -4.600874      7.657725
  H      -2.594083     -3.474007      6.620495
  H      -0.270978     -4.544744      6.252408
  H      -0.674524     -5.617000      7.600853
  H      -0.943765     -4.675454      9.900321
  H      -0.397425     -2.823339     11.461042
  H       0.332629     -0.611323     10.571698
  H       0.524366     -0.276908      8.106724
  H      -0.012014     -2.134147      6.553317
  N      -4.408117     -2.528603      5.127143
  H      -5.093893     -1.949861      4.613657
  H      -3.588939     -1.931166      5.276746
  H      -4.809486     -2.680717      6.057132
  N      -5.556199     -3.092037      2.531797
  N      -6.189716     -2.173088      2.671959
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300721959689
  N      -2.650625     -3.808684      2.547000
  C      -2.444220     -4.749223      1.447025
  C      -2.257191     -6.154326      2.017872
  N      -3.273928     -6.421075      3.080871
  C      -4.519765     -7.017020      2.526849
  C      -5.658875     -6.872696      3.532766
  N      -5.608027     -5.540640      4.131659
  Mo     -3.871383     -4.501552      4.011313
  N      -2.644365     -5.159264      5.425138
  C      -1.876614     -6.379062      5.110366
  C      -2.698843     -7.256836      4.177665
  H      -1.631335     -6.968896      6.009159
  H      -0.906497     -6.127366      4.633800
  H      -3.541354     -7.680495      4.741064
  H      -2.103281     -8.088663      3.760081
  H      -6.609727     -7.054039      2.996340
  H      -5.585867     -7.672970      4.298749
  H      -4.757561     -6.448777      1.616401
  H      -4.358963     -8.076507      2.249772
  H      -1.559152     -4.509620      0.833972
  H      -3.309796     -4.739747      0.754129
  H      -1.269862     -6.208812      2.496392
  H      -2.308709     -6.938399      1.241594
  C       0.452151     -3.500759      2.718545
  N      -0.582240     -2.690070      3.359579
  C      -1.871761     -2.578902      2.632810
  C      -1.666123     -1.834878      1.294689
  C      -2.958769     -1.298078      0.739148
  C      -3.547378     -0.156127      1.303076
  C      -4.759149      0.340347      0.822963
  C      -5.407789     -0.298199     -0.237527
  C      -4.829891     -1.430568     -0.813694
  C      -3.616454     -1.923250     -0.327880
  C      -7.664195     -7.123174      6.282592
  N      -6.841966     -5.916527      6.229874
  C      -6.749467     -5.159966      4.954043
  C      -8.080407     -5.147256      4.176013
  C      -9.158483     -4.244694      4.728493
  C     -10.087816     -3.666712      3.848627
  C     -11.106938     -2.837025      4.316722
  C     -11.214462     -2.561200      5.682673
  C     -10.291297     -3.120993      6.567744
  C      -9.272741     -3.954165      6.096823
  C      -3.374858     -6.420590      8.033399
  N      -3.251699     -4.979794      7.836403
  C      -2.377555     -4.546532      6.732346
  C      -0.888263     -4.632396      7.159009
  C      -0.515938     -3.537345      8.119844
  C      -0.616204     -3.712355      9.506887
  C      -0.313041     -2.669509     10.384514
  C       0.094474     -1.428454      9.888303
  C       0.199262     -1.240402      8.507655
  C      -0.102867     -2.286839      7.634140
  H       0.157630     -4.548345      2.509844
  H       1.337490     -3.528215      3.369689
  H       0.758236     -3.038301      1.769292
  H      -0.812818     -3.127186      4.257238
  H      -2.468041     -1.896886      3.263895
  H      -1.183852     -2.487718      0.553336
  H      -0.969817     -1.005758      1.494349
  H      -3.043554      0.352139      2.129822
  H      -5.201177      1.228640      1.278270
  H      -6.358024      0.086282     -0.611728
  H      -5.326734     -1.935739     -1.644343
  H      -3.170067     -2.808764     -0.785996
  H      -7.488287     -7.614300      7.250453
  H      -8.732579     -6.858219      6.245207
  H      -7.473943     -7.869913      5.487288
  H      -5.882023     -6.140656      6.499190
  H      -6.555413     -4.111693      5.240976
  H      -7.842368     -4.820289      3.153398
  H      -8.475482     -6.172013      4.080321
  H     -10.002639     -3.867771      2.777505
  H     -11.815528     -2.397784      3.611631
  H     -12.008558     -1.909760      6.051989
  H     -10.361608     -2.907633      7.636501
  H      -8.548222     -4.386779      6.791046
  H      -2.406741     -6.849223      8.332748
  H      -3.727745     -6.972024      7.138087
  H      -4.083828     -6.609154      8.851647
  H      -4.184490     -4.600242      7.658948
  H      -2.594151     -3.474065      6.620549
  H      -0.271361     -4.543809      6.251752
  H      -0.673835     -5.617141      7.599615
  H      -0.942146     -4.677509      9.899947
  H      -0.395525     -2.826502     11.461840
  H       0.333368     -0.613537     10.573893
  H       0.523602     -0.277084      8.109059
  H      -0.013072     -2.133184      6.554495
  N      -4.409049     -2.528690      5.127244
  H      -5.094978     -1.950249      4.613659
  H      -3.590118     -1.930881      5.276707
  H      -4.810273     -2.680898      6.057274
  N      -5.555712     -3.092670      2.530939
  N      -6.188792     -2.173206      2.669490
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300722323042
  N      -2.650612     -3.809251      2.547680
  C      -2.444189     -4.749507      1.447489
  C      -2.257343     -6.154671      2.018284
  N      -3.274321     -6.421436      3.081025
  C      -4.520094     -7.017223      2.526585
  C      -5.659264     -6.873173      3.532450
  N      -5.608600     -5.541149      4.131381
  Mo     -3.871854     -4.502268      4.011618
  N      -2.645448     -5.160273      5.425835
  C      -1.877561     -6.379955      5.110922
  C      -2.699510     -7.257523      4.177782
  H      -1.632402     -6.970037      6.009597
  H      -0.907355     -6.128070      4.634629
  H      -3.542149     -7.681369      4.740850
  H      -2.103812     -8.089204      3.760117
  H      -6.610120     -7.054697      2.996083
  H      -5.586015     -7.673510      4.298344
  H      -4.757758     -6.448664      1.616299
  H      -4.359219     -8.076616      2.249215
  H      -1.558909     -4.510014      0.834696
  H      -3.309563     -4.739844      0.754335
  H      -1.270140     -6.208955      2.497096
  H      -2.308585     -6.938789      1.242044
  C       0.451618     -3.499412      2.720071
  N      -0.583363     -2.689208      3.360809
  C      -1.872692     -2.578864      2.633273
  C      -1.666545     -1.835117      1.295093
  C      -2.958790     -1.297849      0.739047
  C      -3.546774     -0.155259      1.302372
  C      -4.758098      0.341802      0.821768
  C      -5.406875     -0.296763     -0.238630
  C      -4.829578     -1.429723     -0.814217
  C      -3.616585     -1.923022     -0.327907
  C      -7.662943     -7.124711      6.282703
  N      -6.841987     -5.917152      6.230077
  C      -6.749834     -5.160695      4.954221
  C      -8.080996     -5.148174      4.176502
  C      -9.158586     -4.244933      4.728741
  C     -10.084918     -3.663126      3.848229
  C     -11.103665     -2.832816      4.316074
  C     -11.213775     -2.560170      5.682451
  C     -10.293503     -3.123681      6.568194
  C      -9.275352     -3.957471      6.097524
  C      -3.373942     -6.421204      8.034545
  N      -3.251496     -4.980400      7.837287
  C      -2.378065     -4.547098      6.732696
  C      -0.888502     -4.632333      7.158510
  C      -0.515937     -3.536915      8.118810
  C      -0.615279     -3.711525      9.505967
  C      -0.311882     -2.668316     10.383082
  C       0.094956     -1.427292      9.886241
  C       0.198845     -1.239639      8.505469
  C      -0.103516     -2.286437      7.632469
  H       0.157088     -4.546682      2.509843
  H       1.336129     -3.527819      3.372283
  H       0.758999     -3.035977      1.771720
  H      -0.814355     -3.126984      4.258061
  H      -2.469556     -1.896974      3.263935
  H      -1.184260     -2.488206      0.553971
  H      -0.970021     -1.006216      1.494918
  H      -3.042718      0.352968      2.128991
  H      -5.199687      1.230564      1.276589
  H      -6.356755      0.088188     -0.613238
  H      -5.326534     -1.934875     -1.644809
  H      -3.170595     -2.808961     -0.785583
  H      -7.486331     -7.615814      7.250447
  H      -8.731695     -6.860878      6.245594
  H      -7.472104     -7.871085      5.487228
  H      -5.881912     -6.140291      6.499774
  H      -6.555747     -4.112398      5.240978
  H      -7.843171     -4.821887      3.153621
  H      -8.476258     -6.172944      4.081705
  H      -9.997671     -3.861683      2.776812
  H     -11.809888     -2.390594      3.610483
  H     -12.007558     -1.908258      6.051600
  H     -10.365762     -2.912723      7.637301
  H      -8.552758     -4.392510      6.792232
  H      -2.405472     -6.849298      8.333541
  H      -3.726891     -6.972949      7.139433
  H      -4.082448     -6.610025      8.853131
  H      -4.184474     -4.601122      7.660267
  H      -2.595066     -3.474720      6.620731
  H      -0.272251     -4.543725      6.250809
  H      -0.673406     -5.616918      7.599156
  H      -0.940684     -4.676652      9.899549
  H      -0.393652     -2.825002     11.460507
  H       0.334037     -0.612101     10.571437
  H       0.522672     -0.276359      8.106356
  H      -0.014385     -2.133101      6.552715
  N      -4.410222     -2.529701      5.127986
  H      -5.096063     -1.951196      4.614348
  H      -3.591448     -1.931768      5.277828
  H      -4.811632     -2.682342      6.057859
  N      -5.555252     -3.092663      2.530611
  N      -6.187391     -2.172430      2.668304
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300722872255
  N      -2.650710     -3.809333      2.548267
  C      -2.444085     -4.749380      1.447924
  C      -2.257318     -6.154607      2.018575
  N      -3.274540     -6.421496      3.081049
  C      -4.520184     -7.017231      2.526212
  C      -5.659526     -6.873413      3.531900
  N      -5.609148     -5.541393      4.130877
  Mo     -3.872315     -4.502592      4.011801
  N      -2.646147     -5.160763      5.426162
  C      -1.878173     -6.380373      5.111205
  C      -2.699930     -7.257804      4.177769
  H      -1.633158     -6.970584      6.009839
  H      -0.907870     -6.128388      4.635159
  H      -3.542654     -7.681777      4.740615
  H      -2.104142     -8.089378      3.760031
  H      -6.610306     -7.055089      2.995445
  H      -5.586190     -7.673772      4.297762
  H      -4.757680     -6.448483      1.615999
  H      -4.359195     -8.076558      2.248670
  H      -1.558717     -4.509787      0.835306
  H      -3.309331     -4.739622      0.754611
  H      -1.270236     -6.208797      2.497656
  H      -2.308298     -6.938698      1.242299
  C       0.451368     -3.498763      2.721901
  N      -0.584059     -2.688792      3.362246
  C      -1.873126     -2.578713      2.634061
  C      -1.666499     -1.834957      1.295960
  C      -2.958533     -1.297479      0.739579
  C      -3.546167     -0.154418      1.302350
  C      -4.757337      0.342766      0.821514
  C      -5.406292     -0.296100     -0.238590
  C      -4.829307     -1.429459     -0.813681
  C      -3.616462     -1.922907     -0.327133
  C      -7.662365     -7.125862      6.282538
  N      -6.842091     -5.917815      6.229850
  C      -6.750333     -5.161356      4.953978
  C      -8.081655     -5.149164      4.176494
  C      -9.158936     -4.245523      4.728650
  C     -10.083833     -3.661789      3.847913
  C     -11.102261     -2.831064      4.315731
  C     -11.213483     -2.559948      5.682318
  C     -10.294609     -3.125365      6.568303
  C      -9.276776     -3.959552      6.097666
  C      -3.374575     -6.420990      8.035160
  N      -3.251680     -4.980276      7.837668
  C      -2.378382     -4.547372      6.732827
  C      -0.888730     -4.632797      7.158294
  C      -0.515603     -3.536884      8.117800
  C      -0.614661     -3.710508      9.505096
  C      -0.310747     -2.666767     10.381407
  C       0.096339     -1.426216      9.883600
  C       0.199978     -1.239557      8.502668
  C      -0.102898     -2.286871      7.630478
  H       0.156838     -4.545836      2.510736
  H       1.335257     -3.527739      3.374927
  H       0.759688     -3.034750      1.774140
  H      -0.815487     -3.126864      4.259251
  H      -2.470304     -1.896914      3.264522
  H      -1.184045     -2.488080      0.554983
  H      -0.969953     -1.006137      1.496014
  H      -3.041925      0.354028      2.128718
  H      -5.198678      1.231868      1.275912
  H      -6.356068      0.088934     -0.613376
  H      -5.326395     -1.934813     -1.644070
  H      -3.170683     -2.809118     -0.784479
  H      -7.485226     -7.616952      7.250190
  H      -8.731318     -6.862631      6.245729
  H      -7.471308     -7.872040      5.486943
  H      -5.881914     -6.140455      6.499614
  H      -6.556434     -4.113012      5.240664
  H      -7.844053     -4.823310      3.153421
  H      -8.476959     -6.173967      4.082305
  H      -9.995667     -3.859135      2.776348
  H     -11.807336     -2.387319      3.609950
  H     -12.007014     -1.907729      6.051461
  H     -10.367706     -2.915571      7.637581
  H      -8.555108     -4.395868      6.792539
  H      -2.406226     -6.849345      8.334198
  H      -3.727712     -6.972786      7.140144
  H      -4.083119     -6.609452      8.853793
  H      -4.184552     -4.600646      7.660876
  H      -2.595209     -3.474977      6.620693
  H      -0.272694     -4.544875      6.250378
  H      -0.673797     -5.617194      7.599447
  H      -0.940261     -4.675266      9.899423
  H      -0.392305     -2.822673     11.458962
  H       0.335817     -0.610620     10.568177
  H       0.524018     -0.276655      8.102812
  H      -0.013935     -2.134378      6.550583
  N      -4.411197     -2.530400      5.128662
  H      -5.096983     -1.951841      4.615005
  H      -3.592526     -1.932402      5.278815
  H      -4.812773     -2.683393      6.058403
  N      -5.554915     -3.092248      2.530656
  N      -6.186297     -2.171438      2.668028
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300722724603
  N      -2.650951     -3.809389      2.548471
  C      -2.444230     -4.749383      1.448068
  C      -2.257369     -6.154610      2.018643
  N      -3.274686     -6.421577      3.081018
  C      -4.520250     -7.017342      2.526008
  C      -5.659679     -6.873661      3.531602
  N      -5.609528     -5.541600      4.130544
  Mo     -3.872680     -4.502783      4.011856
  N      -2.646414     -5.160930      5.426163
  C      -1.878448     -6.380557      5.111254
  C      -2.700147     -7.257949      4.177723
  H      -1.633544     -6.970774      6.009916
  H      -0.908081     -6.128596      4.635333
  H      -3.542894     -7.681980      4.740489
  H      -2.104319     -8.089476      3.759945
  H      -6.610418     -7.055487      2.995119
  H      -5.586256     -7.673980      4.297496
  H      -4.757670     -6.448529      1.615814
  H      -4.359190     -8.076638      2.248393
  H      -1.558954     -4.509627      0.835398
  H      -3.309534     -4.739663      0.754837
  H      -1.270334     -6.208748      2.497829
  H      -2.308238     -6.938705      1.242367
  C       0.451463     -3.498660      2.722268
  N      -0.584218     -2.689231      3.362903
  C      -1.873206     -2.578880      2.634575
  C      -1.666352     -1.834830      1.296665
  C      -2.958342     -1.297278      0.740182
  C      -3.545899     -0.154050      1.302703
  C      -4.757011      0.343137      0.821736
  C      -5.405974     -0.295849     -0.238283
  C      -4.829051     -1.429334     -0.813173
  C      -3.616274     -1.922810     -0.326476
  C      -7.662025     -7.126808      6.282500
  N      -6.842124     -5.918502      6.229682
  C      -6.750694     -5.161966      4.953822
  C      -8.082165     -5.150031      4.176532
  C      -9.158994     -4.245817      4.728582
  C     -10.082721     -3.660431      3.847731
  C     -11.100671     -2.829135      4.315600
  C     -11.212586     -2.559150      5.682348
  C     -10.294860     -3.126242      6.568470
  C      -9.277496     -3.960958      6.097784
  C      -3.374718     -6.421213      8.035191
  N      -3.251806     -4.980519      7.837682
  C      -2.378604     -4.547537      6.732821
  C      -0.888919     -4.632877      7.158231
  C      -0.515724     -3.536539      8.117235
  C      -0.614682     -3.709534      9.504614
  C      -0.310730     -2.665374     10.380419
  C       0.096289     -1.425050      9.882005
  C       0.199845     -1.239028      8.500974
  C      -0.103061     -2.286747      7.629291
  H       0.156998     -4.545521      2.510004
  H       1.335043     -3.528239      3.375667
  H       0.760203     -3.033761      1.775090
  H      -0.815755     -3.127825      4.259628
  H      -2.470295     -1.897148      3.265192
  H      -1.183695     -2.487778      0.555670
  H      -0.969883     -1.006014      1.496983
  H      -3.041655      0.354492      2.128991
  H      -5.198300      1.232358      1.275956
  H      -6.355714      0.089182     -0.613153
  H      -5.326140     -1.934754     -1.643521
  H      -3.170512     -2.809051     -0.783767
  H      -7.484451     -7.617907      7.250072
  H      -8.731096     -6.863910      6.246019
  H      -7.470973     -7.872874      5.486797
  H      -5.881872     -6.140839      6.499442
  H      -6.557014     -4.113594      5.240556
  H      -7.844753     -4.824774      3.153220
  H      -8.477680     -6.174809      4.083046
  H      -9.993976     -3.856899      2.776057
  H     -11.804811     -2.384075      3.609721
  H     -12.005758     -1.906518      6.051536
  H     -10.368494     -2.917333      7.637889
  H      -8.556602     -4.398449      6.792721
  H      -2.406435     -6.849580      8.334456
  H      -3.727655     -6.973066      7.140118
  H      -4.083455     -6.609619      8.853666
  H      -4.184684     -4.600845      7.661030
  H      -2.595513     -3.475154      6.620729
  H      -0.272859     -4.545361      6.250298
  H      -0.674063     -5.617097      7.599814
  H      -0.940236     -4.674123      9.899398
  H      -0.392208     -2.820782     11.458054
  H       0.335790     -0.609133     10.566189
  H       0.523849     -0.276300      8.100665
  H      -0.014154     -2.134799      6.549309
  N      -4.411711     -2.530912      5.129148
  H      -5.097550     -1.952296      4.615608
  H      -3.593052     -1.932915      5.279367
  H      -4.813244     -2.684125      6.058870
  N      -5.554889     -3.091837      2.530992
  N      -6.185648     -2.170598      2.668427
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300723068473
  N      -2.651461     -3.809259      2.548529
  C      -2.444690     -4.749230      1.448086
  C      -2.257531     -6.154439      2.018550
  N      -3.274759     -6.421578      3.080997
  C      -4.520253     -7.017555      2.526055
  C      -5.659666     -6.874039      3.531684
  N      -5.609809     -5.541906      4.130559
  Mo     -3.873073     -4.502832      4.011944
  N      -2.646315     -5.160771      5.425962
  C      -1.878291     -6.380366      5.111057
  C      -2.700003     -7.257866      4.177637
  H      -1.633319     -6.970490      6.009758
  H      -0.907957     -6.128374      4.635092
  H      -3.542630     -7.681996      4.740509
  H      -2.104129     -8.089320      3.759775
  H      -6.610400     -7.056074      2.995260
  H      -5.586048     -7.674276      4.297640
  H      -4.757783     -6.448807      1.615846
  H      -4.359045     -8.076833      2.248454
  H      -1.559632     -4.509200      0.835218
  H      -3.310165     -4.739646      0.755069
  H      -1.270455     -6.208529      2.497657
  H      -2.308385     -6.938505      1.242245
  C       0.451209     -3.498890      2.722456
  N      -0.584496     -2.689587      3.363218
  C      -1.873444     -2.578932      2.634896
  C      -1.666495     -1.834674      1.297110
  C      -2.958502     -1.297144      0.740624
  C      -3.546037     -0.153831      1.302983
  C      -4.757206      0.343241      0.822043
  C      -5.406262     -0.295936     -0.237795
  C      -4.829354     -1.429497     -0.812552
  C      -3.616517     -1.922854     -0.325883
  C      -7.661436     -7.127944      6.282817
  N      -6.842094     -5.919265      6.229811
  C      -6.751032     -5.162715      4.953920
  C      -8.082660     -5.151221      4.176776
  C      -9.158961     -4.246068      4.728290
  C     -10.081079     -3.658866      3.846990
  C     -11.098445     -2.826640      4.314512
  C     -11.211363     -2.557564      5.681343
  C     -10.295207     -3.126474      6.567941
  C      -9.278428     -3.962084      6.097611
  C      -3.374672     -6.421307      8.034993
  N      -3.251677     -4.980621      7.837549
  C      -2.378540     -4.547503      6.732701
  C      -0.888855     -4.632861      7.158140
  C      -0.515682     -3.536335      8.116955
  C      -0.614527     -3.709126      9.504365
  C      -0.310621     -2.664788     10.379982
  C       0.096233     -1.424508      9.881332
  C       0.199679     -1.238695      8.500259
  C      -0.103176     -2.286578      7.628767
  H       0.156679     -4.545646      2.509792
  H       1.334685     -3.528747      3.375977
  H       0.760105     -3.033657      1.775497
  H      -0.816043     -3.128250      4.259905
  H      -2.470390     -1.897201      3.265658
  H      -1.183674     -2.487466      0.556087
  H      -0.970124     -1.005810      1.497580
  H      -3.041767      0.354873      2.129152
  H      -5.198464      1.232533      1.276153
  H      -6.356059      0.088992     -0.612625
  H      -5.326511     -1.935062     -1.642771
  H      -3.170794     -2.809134     -0.783130
  H      -7.483292     -7.619019      7.250296
  H      -8.730677     -6.865551      6.246727
  H      -7.470316     -7.873876      5.487004
  H      -5.881752     -6.141121      6.499632
  H      -6.557725     -4.114281      5.240679
  H      -7.845387     -4.827028      3.153098
  H      -8.478518     -6.175962      4.084422
  H      -9.991512     -3.854635      2.775260
  H     -11.801309     -2.380144      3.608271
  H     -12.004067     -1.904214      6.050264
  H     -10.369608     -2.918257      7.637442
  H      -8.558576     -4.400768      6.792868
  H      -2.406486     -6.849765      8.334464
  H      -3.727464     -6.973142      7.139848
  H      -4.083611     -6.609663      8.853304
  H      -4.184555     -4.600875      7.661070
  H      -2.595499     -3.475120      6.620731
  H      -0.272686     -4.545561      6.250263
  H      -0.674129     -5.616997      7.599971
  H      -0.939956     -4.673693      9.899306
  H      -0.392003     -2.820030     11.457648
  H       0.335692     -0.608454     10.565368
  H       0.523559     -0.275990      8.099795
  H      -0.014366     -2.134837      6.548747
  N      -4.412209     -2.531186      5.129588
  H      -5.098250     -1.952657      4.616215
  H      -3.593568     -1.933110      5.279575
  H      -4.813477     -2.684471      6.059408
  N      -5.555098     -3.091624      2.531571
  N      -6.185379     -2.170046      2.669007
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300723323620
  N      -2.651928     -3.809215      2.548301
  C      -2.445206     -4.749267      1.447906
  C      -2.257709     -6.154416      2.018383
  N      -3.274728     -6.421647      3.081024
  C      -4.520212     -7.017876      2.526335
  C      -5.659505     -6.874434      3.532111
  N      -5.609795     -5.542229      4.130871
  Mo     -3.873254     -4.502839      4.011969
  N      -2.646000     -5.160475      5.425722
  C      -1.877896     -6.380031      5.110827
  C      -2.699667     -7.257729      4.177643
  H      -1.632735     -6.970007      6.009569
  H      -0.907667     -6.127995      4.634679
  H      -3.542146     -7.681907      4.740700
  H      -2.103762     -8.089155      3.759764
  H      -6.610287     -7.056631      2.995823
  H      -5.585696     -7.674580      4.298137
  H      -4.757958     -6.449265      1.616100
  H      -4.358890     -8.077160      2.248817
  H      -1.560372     -4.509052      0.834793
  H      -3.310883     -4.739888      0.755141
  H      -1.270539     -6.208436      2.497298
  H      -2.308636     -6.938498      1.242096
  C       0.451045     -3.499176      2.721674
  N      -0.584575     -2.690076      3.362810
  C      -1.873613     -2.579104      2.634773
  C      -1.666787     -1.834661      1.297066
  C      -2.958860     -1.297202      0.740683
  C      -3.546527     -0.154046      1.303195
  C      -4.757759      0.342959      0.822321
  C      -5.406748     -0.296140     -0.237603
  C      -4.829722     -1.429581     -0.812496
  C      -3.616835     -1.922863     -0.325887
  C      -7.661014     -7.128604      6.283246
  N      -6.842046     -5.919687      6.230119
  C      -6.751084     -5.163183      4.954190
  C      -8.082784     -5.151918      4.177067
  C      -9.158650     -4.245988      4.728103
  C     -10.079318     -3.657157      3.846392
  C     -11.096259     -2.824220      4.313609
  C     -11.210177     -2.556082      5.680530
  C     -10.295428     -3.126610      6.567563
  C      -9.279088     -3.962907      6.097540
  C      -3.374401     -6.421440      8.034588
  N      -3.251511     -4.980717      7.837338
  C      -2.378399     -4.547332      6.732576
  C      -0.888737     -4.632559      7.158152
  C      -0.515828     -3.536093      8.117151
  C      -0.614627     -3.709178      9.504527
  C      -0.310986     -2.664934     10.380348
  C       0.095548     -1.424455      9.881932
  C       0.198932     -1.238348      8.500895
  C      -0.103658     -2.286136      7.629195
  H       0.156550     -4.545909      2.508841
  H       1.334654     -3.529109      3.375008
  H       0.759726     -3.033717      1.774757
  H      -0.815922     -3.128852      4.259479
  H      -2.470360     -1.897362      3.265724
  H      -1.183923     -2.487309      0.555942
  H      -0.970487     -1.005748      1.497600
  H      -3.042354      0.354614      2.129449
  H      -5.199104      1.232144      1.276557
  H      -6.356580      0.088744     -0.612382
  H      -5.326831     -1.935103     -1.642770
  H      -3.171058     -2.809061     -0.783241
  H      -7.482528     -7.619652      7.250678
  H      -8.730370     -6.866551      6.247388
  H      -7.469848     -7.874463      5.487375
  H      -5.881660     -6.141170      6.500075
  H      -6.557989     -4.114716      5.240969
  H      -7.845531     -4.828614      3.153111
  H      -8.479014     -6.176594      4.085595
  H      -9.988960     -3.852219      2.774602
  H     -11.797993     -2.376448      3.607051
  H     -12.002547     -1.902192      6.049214
  H     -10.370608     -2.919115      7.637150
  H      -8.560207     -4.402697      6.793098
  H      -2.406216     -6.849888      8.334071
  H      -3.727124     -6.973183      7.139363
  H      -4.083385     -6.609930      8.852826
  H      -4.184432     -4.601031      7.660956
  H      -2.595505     -3.474966      6.620737
  H      -0.272421     -4.545121      6.250390
  H      -0.673991     -5.616705      7.599944
  H      -0.939809     -4.673908      9.899272
  H      -0.392325     -2.820407     11.457984
  H       0.334801     -0.608468     10.566119
  H       0.522554     -0.275474      8.100626
  H      -0.014918     -2.134150      6.549208
  N      -4.412314     -2.531191      5.129653
  H      -5.098584     -1.952785      4.616433
  H      -3.593648     -1.933048      5.279236
  H      -4.813226     -2.684355      6.059647
  N      -5.555516     -3.091798      2.532016
  N      -6.185662     -2.170131      2.669496
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300723066084
  N      -2.652328     -3.809156      2.548174
  C      -2.445591     -4.749252      1.447828
  C      -2.257861     -6.154369      2.018305
  N      -3.274720     -6.421701      3.081079
  C      -4.520200     -7.018101      2.526583
  C      -5.659393     -6.874725      3.532486
  N      -5.609766     -5.542477      4.131170
  Mo     -3.873371     -4.502856      4.012060
  N      -2.645772     -5.160297      5.425619
  C      -1.877602     -6.379805      5.110680
  C      -2.699427     -7.257636      4.177671
  H      -1.632264     -6.969699      6.009425
  H      -0.907472     -6.127715      4.634363
  H      -3.541793     -7.681838      4.740877
  H      -2.103512     -8.089051      3.759783
  H      -6.610214     -7.057017      2.996299
  H      -5.585446     -7.674818      4.298547
  H      -4.758128     -6.449586      1.616337
  H      -4.358791     -8.077386      2.249118
  H      -1.560865     -4.508920      0.834602
  H      -3.311353     -4.740021      0.755165
  H      -1.270620     -6.208343      2.497071
  H      -2.308833     -6.938438      1.242003
  C       0.450668     -3.499395      2.721492
  N      -0.584857     -2.690184      3.362616
  C      -1.873903     -2.579130      2.634681
  C      -1.667125     -1.834684      1.296967
  C      -2.959198     -1.297217      0.740635
  C      -3.546861     -0.154122      1.303257
  C      -4.758117      0.342912      0.822461
  C      -5.407143     -0.296125     -0.237480
  C      -4.830133     -1.429540     -0.812456
  C      -3.617220     -1.922832     -0.325934
  C      -7.660678     -7.128879      6.283651
  N      -6.842057     -5.919744      6.230416
  C      -6.751122     -5.163405      4.954389
  C      -8.082841     -5.152359      4.177231
  C      -9.158549     -4.245974      4.727816
  C     -10.078276     -3.656295      3.845698
  C     -11.095066     -2.822945      4.312531
  C     -11.209753     -2.555232      5.679462
  C     -10.295913     -3.126583      6.566913
  C      -9.279739     -3.963288      6.097278
  C      -3.373982     -6.421453      8.034481
  N      -3.251222     -4.980698      7.837306
  C      -2.378195     -4.547205      6.732517
  C      -0.888523     -4.632377      7.158074
  C      -0.515697     -3.536046      8.117260
  C      -0.614332     -3.709457      9.504608
  C      -0.310760     -2.665372     10.380639
  C       0.095541     -1.424719      9.882464
  C       0.198749     -1.238282      8.501461
  C      -0.103776     -2.285917      7.629550
  H       0.156183     -4.546201      2.508978
  H       1.334407     -3.529134      3.374666
  H       0.759167     -3.034175      1.774395
  H      -0.816121     -3.128791      4.259388
  H      -2.470644     -1.897360      3.265613
  H      -1.184319     -2.487332      0.555803
  H      -0.970803     -1.005782      1.497480
  H      -3.042685      0.354495      2.129544
  H      -5.199448      1.232057      1.276785
  H      -6.356987      0.088788     -0.612207
  H      -5.327274     -1.935035     -1.642728
  H      -3.171495     -2.809051     -0.783305
  H      -7.481986     -7.619842      7.251087
  H      -8.730135     -6.867140      6.247869
  H      -7.469379     -7.874721      5.487796
  H      -5.881640     -6.140888      6.500520
  H      -6.558163     -4.114886      5.241062
  H      -7.845550     -4.829650      3.153102
  H      -8.479266     -6.177012      4.086336
  H      -9.987319     -3.851035      2.773900
  H     -11.796069     -2.374517      3.605661
  H     -12.001991     -1.901015      6.047848
  H     -10.371685     -2.919396      7.636516
  H      -8.561478     -4.403583      6.793149
  H      -2.405737     -6.849843      8.333841
  H      -3.726772     -6.973158      7.139264
  H      -4.082864     -6.610052      8.852784
  H      -4.184191     -4.601084      7.661013
  H      -2.595360     -3.474847      6.620732
  H      -0.272208     -4.544781      6.250328
  H      -0.673710     -5.616566      7.599736
  H      -0.939329     -4.674327      9.899163
  H      -0.391969     -2.821104     11.458247
  H       0.334745     -0.608850     10.566809
  H       0.522179     -0.275267      8.101379
  H      -0.015184     -2.133646      6.549594
  N      -4.412360     -2.531168      5.129732
  H      -5.098764     -1.952847      4.616592
  H      -3.593671     -1.932979      5.279002
  H      -4.813019     -2.684185      6.059857
  N      -5.555843     -3.091939      2.532384
  N      -6.185886     -2.170205      2.669905
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300723364606
  N      -2.652591     -3.809180      2.548076
  C      -2.445818     -4.749326      1.447792
  C      -2.257945     -6.154411      2.018311
  N      -3.274702     -6.421790      3.081163
  C      -4.520188     -7.018282      2.526788
  C      -5.659305     -6.874934      3.532782
  N      -5.609684     -5.542663      4.131393
  Mo     -3.873392     -4.502920      4.012156
  N      -2.645639     -5.160242      5.425636
  C      -1.877427     -6.379715      5.110660
  C      -2.699289     -7.257626      4.177761
  H      -1.631961     -6.969568      6.009395
  H      -0.907366     -6.127587      4.634222
  H      -3.541603     -7.681815      4.741055
  H      -2.103376     -8.089056      3.759897
  H      -6.610159     -7.057277      2.996673
  H      -5.585273     -7.674999      4.298862
  H      -4.758237     -6.449813      1.616547
  H      -4.358735     -8.077567      2.249347
  H      -1.561130     -4.508952      0.834526
  H      -3.311604     -4.740212      0.755155
  H      -1.270659     -6.208325      2.496991
  H      -2.308927     -6.938489      1.242016
  C       0.450465     -3.499367      2.721248
  N      -0.585072     -2.690242      3.362440
  C      -1.874136     -2.579181      2.634588
  C      -1.667428     -1.834717      1.296866
  C      -2.959511     -1.297230      0.740604
  C      -3.547139     -0.154170      1.303329
  C      -4.758406      0.342918      0.822602
  C      -5.407471     -0.296042     -0.237363
  C      -4.830503     -1.429440     -0.812420
  C      -3.617585     -1.922782     -0.325968
  C      -7.660515     -7.128828      6.283942
  N      -6.842107     -5.919558      6.230630
  C      -6.751085     -5.163433      4.954487
  C      -8.082769     -5.152504      4.177249
  C      -9.158453     -4.245921      4.727544
  C     -10.077628     -3.655801      3.845144
  C     -11.094431     -2.822308      4.311705
  C     -11.209672     -2.554887      5.678644
  C     -10.296364     -3.126655      6.566378
  C      -9.280189     -3.963506      6.097015
  C      -3.373746     -6.421424      8.034449
  N      -3.251030     -4.980648      7.837343
  C      -2.378042     -4.547137      6.732530
  C      -0.888360     -4.632284      7.158053
  C      -0.515548     -3.536062      8.117364
  C      -0.614065     -3.709700      9.504694
  C      -0.310499     -2.665742     10.380873
  C       0.095683     -1.424979      9.882871
  C       0.198767     -1.238313      8.501892
  C      -0.103757     -2.285827      7.629830
  H       0.156124     -4.546249      2.508893
  H       1.334315     -3.528909      3.374283
  H       0.758765     -3.034231      1.774043
  H      -0.816251     -3.128861      4.259223
  H      -2.470908     -1.897420      3.265500
  H      -1.184711     -2.487373      0.555649
  H      -0.971065     -1.005840      1.497350
  H      -3.042933      0.354391      2.129636
  H      -5.199709      1.232036      1.277007
  H      -6.357311      0.088923     -0.612048
  H      -5.327677     -1.934888     -1.642701
  H      -3.171902     -2.809012     -0.783365
  H      -7.481788     -7.619676      7.251430
  H      -8.730030     -6.867288      6.248091
  H      -7.469067     -7.874714      5.488165
  H      -5.881682     -6.140478      6.500892
  H      -6.558143     -4.114871      5.241001
  H      -7.845406     -4.830096      3.153046
  H      -8.479282     -6.177151      4.086629
  H      -9.986246     -3.850321      2.773342
  H     -11.795012     -2.373547      3.604626
  H     -12.001918     -1.900562      6.046821
  H     -10.372566     -2.919679      7.635990
  H      -8.562304     -4.404057      6.793106
  H      -2.405445     -6.849805      8.333630
  H      -3.726677     -6.973063      7.139253
  H      -4.082486     -6.610096      8.852858
  H      -4.184014     -4.601050      7.661091
  H      -2.595218     -3.474782      6.620742
  H      -0.272076     -4.544575      6.250294
  H      -0.673482     -5.616511      7.599596
  H      -0.938968     -4.674654      9.899121
  H      -0.391619     -2.821655     11.458461
  H       0.334889     -0.609204     10.567326
  H       0.522099     -0.275212      8.101936
  H      -0.015258     -2.133342      6.549897
  N      -4.412272     -2.531190      5.129779
  H      -5.098741     -1.952894      4.616690
  H      -3.593542     -1.933003      5.278837
  H      -4.812767     -2.684074      6.059995
  N      -5.556098     -3.092047      2.532659
  N      -6.186036     -2.170260      2.670307
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300723253638
  N      -2.652940     -3.809225      2.548135
  C      -2.446049     -4.749373      1.447890
  C      -2.258019     -6.154443      2.018412
  N      -3.274696     -6.421934      3.081295
  C      -4.520164     -7.018500      2.526974
  C      -5.659224     -6.875262      3.533050
  N      -5.609625     -5.543009      4.131664
  Mo     -3.873459     -4.503108      4.012383
  N      -2.645561     -5.160347      5.425775
  C      -1.877306     -6.379770      5.110717
  C      -2.699188     -7.257717      4.177874
  H      -1.631723     -6.969630      6.009417
  H      -0.907301     -6.127586      4.634189
  H      -3.541461     -7.681911      4.741226
  H      -2.103273     -8.089149      3.760013
  H      -6.610106     -7.057636      2.997001
  H      -5.585097     -7.675351      4.299094
  H      -4.758326     -6.450016      1.616773
  H      -4.358640     -8.077763      2.249490
  H      -1.561367     -4.508927      0.834639
  H      -3.311811     -4.740370      0.755221
  H      -1.270703     -6.208269      2.497040
  H      -2.308955     -6.938507      1.242097
  C       0.450146     -3.499238      2.721274
  N      -0.585450     -2.690257      3.362532
  C      -1.874506     -2.579210      2.634712
  C      -1.667863     -1.834693      1.297000
  C      -2.959974     -1.297184      0.740835
  C      -3.547519     -0.154112      1.303628
  C      -4.758818      0.343013      0.823014
  C      -5.407992     -0.295930     -0.236896
  C      -4.831110     -1.429343     -0.812007
  C      -3.618159     -1.922720     -0.325674
  C      -7.660464     -7.128934      6.284094
  N      -6.842379     -5.919444      6.230823
  C      -6.751121     -5.163579      4.954548
  C      -8.082706     -5.152738      4.177123
  C      -9.158348     -4.245869      4.727011
  C     -10.076609     -3.654955      3.844192
  C     -11.093393     -2.821216      4.310361
  C     -11.209522     -2.554334      5.677329
  C     -10.297101     -3.126871      6.565486
  C      -9.280953     -3.963968      6.096513
  C      -3.373394     -6.421422      8.034643
  N      -3.250722     -4.980634      7.837531
  C      -2.377838     -4.547174      6.732616
  C      -0.888113     -4.632277      7.157981
  C      -0.515209     -3.536058      8.117252
  C      -0.613494     -3.709733      9.504594
  C      -0.309836     -2.665789     10.380755
  C       0.096210     -1.424991      9.882723
  C       0.199060     -1.238285      8.501734
  C      -0.103558     -2.285791      7.629691
  H       0.156003     -4.546207      2.509050
  H       1.334099     -3.528555      3.374184
  H       0.758233     -3.034155      1.773975
  H      -0.816578     -3.128953      4.259290
  H      -2.471356     -1.897500      3.265605
  H      -1.185246     -2.487351      0.555717
  H      -0.971459     -1.005846      1.497458
  H      -3.043219      0.354435      2.129890
  H      -5.200059      1.232134      1.277472
  H      -6.357853      0.089064     -0.611499
  H      -5.328370     -1.934784     -1.642240
  H      -3.172537     -2.808977     -0.783080
  H      -7.481791     -7.619650      7.251658
  H      -8.730064     -6.867695      6.248025
  H      -7.468685     -7.874842      5.488423
  H      -5.881975     -6.140059      6.501415
  H      -6.558165     -4.114977      5.240884
  H      -7.845174     -4.830673      3.152856
  H      -8.479341     -6.177366      4.086796
  H      -9.984527     -3.849044      2.772373
  H     -11.793258     -2.371836      3.602967
  H     -12.001751     -1.899819      6.045207
  H     -10.373985     -2.920292      7.635126
  H      -8.563692     -4.405011      6.792935
  H      -2.405010     -6.849780      8.333584
  H      -3.726534     -6.973031      7.139513
  H      -4.081924     -6.610129      8.853225
  H      -4.183723     -4.601048      7.661347
  H      -2.595016     -3.474822      6.620786
  H      -0.271956     -4.544548      6.250136
  H      -0.673125     -5.616497      7.599484
  H      -0.938289     -4.674710      9.899053
  H      -0.390779     -2.821735     11.458351
  H       0.335492     -0.609222     10.567160
  H       0.522280     -0.275163      8.101743
  H      -0.015237     -2.133242      6.549752
  N      -4.412250     -2.531397      5.130046
  H      -5.098781     -1.953105      4.617022
  H      -3.593478     -1.933215      5.278908
  H      -4.812586     -2.684166      6.060351
  N      -5.556430     -3.092189      2.533145
  N      -6.186200     -2.170310      2.670977
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300723297077
  N      -2.653238     -3.809252      2.548273
  C      -2.446199     -4.749381      1.448051
  C      -2.258037     -6.154437      2.018570
  N      -3.274685     -6.422034      3.081433
  C      -4.520127     -7.018616      2.527084
  C      -5.659167     -6.875493      3.533193
  N      -5.609581     -5.543272      4.131838
  Mo     -3.873491     -4.503301      4.012650
  N      -2.645520     -5.160525      5.425981
  C      -1.877260     -6.379916      5.110840
  C      -2.699153     -7.257832      4.177980
  H      -1.631635     -6.969827      6.009497
  H      -0.907270     -6.127703      4.634298
  H      -3.541417     -7.682036      4.741337
  H      -2.103240     -8.089260      3.760103
  H      -6.610061     -7.057879      2.997174
  H      -5.584974     -7.675623      4.299187
  H      -4.758337     -6.450068      1.616936
  H      -4.358552     -8.077849      2.249515
  H      -1.561510     -4.508863      0.834837
  H      -3.311920     -4.740468      0.755330
  H      -1.270716     -6.208163      2.497198
  H      -2.308889     -6.938495      1.242243
  C       0.449914     -3.498907      2.721420
  N      -0.585825     -2.690186      3.362765
  C      -1.874869     -2.579186      2.634928
  C      -1.668278     -1.834595      1.297241
  C      -2.960436     -1.297135      0.741129
  C      -3.547959     -0.154035      1.303895
  C      -4.759304      0.343032      0.823339
  C      -5.408538     -0.295992     -0.236485
  C      -4.831674     -1.429422     -0.811573
  C      -3.618678     -1.922747     -0.325298
  C      -7.660510     -7.128923      6.284125
  N      -6.842691     -5.919245      6.230918
  C      -6.751172     -5.163648      4.954510
  C      -8.082648     -5.152876      4.176887
  C      -9.158294     -4.245819      4.726449
  C     -10.075845     -3.654307      3.843292
  C     -11.092639     -2.820398      4.309142
  C     -11.209488     -2.553943      5.676131
  C     -10.297764     -3.127065      6.564628
  C      -9.281608     -3.964330      6.095973
  C      -3.373173     -6.421478      8.034878
  N      -3.250442     -4.980692      7.837775
  C      -2.377643     -4.547308      6.732769
  C      -0.887877     -4.632434      7.157970
  C      -0.514814     -3.536147      8.117097
  C      -0.612920     -3.709689      9.504469
  C      -0.309118     -2.665673     10.380492
  C       0.096897     -1.424931      9.882293
  C       0.199571     -1.238358      8.501274
  C      -0.103192     -2.285939      7.629368
  H       0.156012     -4.545934      2.509143
  H       1.333908     -3.528065      3.374283
  H       0.757854     -3.033718      1.774128
  H      -0.816933     -3.129063      4.259444
  H      -2.471798     -1.897556      3.265827
  H      -1.185671     -2.487222      0.555922
  H      -0.971894     -1.005734      1.497702
  H      -3.043600      0.354564      2.130087
  H      -5.200536      1.232167      1.277777
  H      -6.358437      0.088954     -0.611042
  H      -5.328980     -1.934922     -1.641744
  H      -3.173045     -2.809007     -0.782685
  H      -7.481968     -7.619488      7.251789
  H      -8.730174     -6.867932      6.247766
  H      -7.468376     -7.874880      5.488589
  H      -5.882325     -6.139624      6.501836
  H      -6.558174     -4.115010      5.240663
  H      -7.844953     -4.831027      3.152592
  H      -8.479337     -6.177497      4.086733
  H      -9.983190     -3.848052      2.771460
  H     -11.791940     -2.370549      3.601491
  H     -12.001727     -1.899303      6.043765
  H     -10.375204     -2.920813      7.634291
  H      -8.564843     -4.405759      6.792658
  H      -2.404750     -6.849881      8.333626
  H      -3.726508     -6.973037      7.139795
  H      -4.081549     -6.610169      8.853596
  H      -4.183432     -4.601046      7.661660
  H      -2.594776     -3.474950      6.620918
  H      -0.271841     -4.544787      6.250034
  H      -0.672842     -5.616629      7.599508
  H      -0.937691     -4.674619      9.899066
  H      -0.389924     -2.821515     11.458114
  H       0.336291     -0.609106     10.566624
  H       0.522763     -0.275285      8.101141
  H      -0.015002     -2.133478      6.549405
  N      -4.412157     -2.531691      5.130445
  H      -5.098716     -1.953341      4.617509
  H      -3.593332     -1.933554      5.279204
  H      -4.812385     -2.684415      6.060802
  N      -5.556696     -3.092104      2.533713
  N      -6.186159     -2.170059      2.671868
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300723253525
  N      -2.653449     -3.809287      2.548495
  C      -2.446313     -4.749368      1.448253
  C      -2.258025     -6.154418      2.018739
  N      -3.274641     -6.422126      3.081596
  C      -4.520053     -7.018737      2.527216
  C      -5.659082     -6.875738      3.533354
  N      -5.609513     -5.543569      4.132097
  Mo     -3.873498     -4.503503      4.012935
  N      -2.645433     -5.160724      5.426189
  C      -1.877164     -6.380079      5.110971
  C      -2.699059     -7.257965      4.178084
  H      -1.631522     -6.970043      6.009592
  H      -0.907172     -6.127838      4.634447
  H      -3.541297     -7.682211      4.741447
  H      -2.103138     -8.089359      3.760152
  H      -6.609985     -7.058111      2.997351
  H      -5.584835     -7.675936      4.299276
  H      -4.758306     -6.450126      1.617116
  H      -4.358416     -8.077938      2.249564
  H      -1.561643     -4.508769      0.835045
  H      -3.312021     -4.740506      0.755515
  H      -1.270696     -6.208045      2.497365
  H      -2.308797     -6.938470      1.242401
  C       0.449755     -3.498598      2.721461
  N      -0.586069     -2.690102      3.362959
  C      -1.875158     -2.579154      2.635185
  C      -1.668717     -1.834468      1.297526
  C      -2.960978     -1.297070      0.741574
  C      -3.548449     -0.153933      1.304328
  C      -4.759891      0.343037      0.823929
  C      -5.409277     -0.296108     -0.235728
  C      -4.832457     -1.429554     -0.810820
  C      -3.619360     -1.922790     -0.324702
  C      -7.660719     -7.129085      6.284023
  N      -6.843107     -5.919242      6.231005
  C      -6.751236     -5.163813      4.954528
  C      -8.082556     -5.153028      4.176630
  C      -9.158183     -4.245718      4.725811
  C     -10.075048     -3.653695      3.842284
  C     -11.091798     -2.819525      4.307759
  C     -11.209292     -2.553314      5.674740
  C     -10.298247     -3.126941      6.563604
  C      -9.282131     -3.964465      6.095329
  C      -3.372971     -6.421588      8.035100
  N      -3.250141     -4.980808      7.838019
  C      -2.377417     -4.547480      6.732929
  C      -0.887613     -4.632628      7.157985
  C      -0.514408     -3.536226      8.116924
  C      -0.612362     -3.709551      9.504331
  C      -0.308432     -2.665404     10.380158
  C       0.097559     -1.424750      9.881721
  C       0.200086     -1.238393      8.500660
  C      -0.102801     -2.286102      7.628955
  H       0.156030     -4.545667      2.509147
  H       1.333828     -3.527627      3.374223
  H       0.757484     -3.033284      1.774163
  H      -0.817111     -3.129147      4.259574
  H      -2.472090     -1.897617      3.266178
  H      -1.186125     -2.487026      0.556140
  H      -0.972377     -1.005567      1.497964
  H      -3.043963      0.354755      2.130384
  H      -5.201087      1.232196      1.278357
  H      -6.359263      0.088753     -0.610153
  H      -5.329876     -1.935140     -1.640871
  H      -3.173742     -2.809044     -0.782111
  H      -7.482416     -7.619538      7.251788
  H      -8.730428     -6.868295      6.247280
  H      -7.468165     -7.875065      5.488617
  H      -5.882808     -6.139453      6.502317
  H      -6.558192     -4.115166      5.240604
  H      -7.844625     -4.831376      3.152330
  H      -8.479323     -6.177628      4.086594
  H      -9.981872     -3.847242      2.770461
  H     -11.790550     -2.369274      3.599820
  H     -12.001496     -1.898471      6.042086
  H     -10.376177     -2.920869      7.633266
  H      -8.565838     -4.406219      6.792293
  H      -2.404542     -6.850071      8.333718
  H      -3.726455     -6.973089      7.140040
  H      -4.081258     -6.610242      8.853905
  H      -4.183110     -4.601082      7.661975
  H      -2.594522     -3.475116      6.621076
  H      -0.271679     -4.545097      6.249967
  H      -0.672555     -5.616782      7.599607
  H      -0.937116     -4.674411      9.899114
  H      -0.389120     -2.821075     11.457813
  H       0.337049     -0.608827     10.565902
  H       0.523261     -0.275394      8.100337
  H      -0.014726     -2.133821      6.548955
  N      -4.412114     -2.531990      5.130857
  H      -5.098716     -1.953623      4.617990
  H      -3.593271     -1.933861      5.279558
  H      -4.812271     -2.684713      6.061247
  N      -5.556943     -3.092170      2.534272
  N      -6.186281     -2.170070      2.672659
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300723319368
  N      -2.653539     -3.809288      2.548670
  C      -2.446381     -4.749327      1.448395
  C      -2.258003     -6.154368      2.018857
  N      -3.274592     -6.422132      3.081722
  C      -4.519997     -7.018736      2.527320
  C      -5.659017     -6.875787      3.533471
  N      -5.609443     -5.543646      4.132269
  Mo     -3.873428     -4.503600      4.013152
  N      -2.645303     -5.160855      5.426342
  C      -1.877065     -6.380206      5.111061
  C      -2.698979     -7.258037      4.178141
  H      -1.631443     -6.970225      6.009655
  H      -0.907053     -6.127970      4.634574
  H      -3.541195     -7.682324      4.741502
  H      -2.103063     -8.089397      3.760134
  H      -6.609925     -7.058143      2.997478
  H      -5.584749     -7.676024      4.299354
  H      -4.758259     -6.450080      1.617248
  H      -4.358344     -8.077921      2.249614
  H      -1.561748     -4.508669      0.835157
  H      -3.312107     -4.740486      0.755682
  H      -1.270666     -6.207926      2.497477
  H      -2.308730     -6.938429      1.242525
  C       0.449681     -3.498349      2.721407
  N      -0.586175     -2.689984      3.363034
  C      -1.875330     -2.579094      2.635333
  C      -1.669027     -1.834351      1.297689
  C      -2.961377     -1.297051      0.741831
  C      -3.548863     -0.153899      1.304537
  C      -4.760387      0.342944      0.824226
  C      -5.409846     -0.296335     -0.235304
  C      -4.833009     -1.429787     -0.810364
  C      -3.619827     -1.922899     -0.324330
  C      -7.660985     -7.128949      6.283959
  N      -6.843433     -5.919045      6.231038
  C      -6.751278     -5.163778      4.954489
  C      -8.082467     -5.153011      4.176368
  C      -9.158157     -4.245633      4.725312
  C     -10.074858     -3.653650      3.841590
  C     -11.091633     -2.819382      4.306830
  C     -11.209328     -2.553042      5.673770
  C     -10.298459     -3.126649      6.562827
  C      -9.282311     -3.964264      6.094787
  C      -3.372801     -6.421733      8.035247
  N      -3.249855     -4.980959      7.838212
  C      -2.377186     -4.547640      6.733071
  C      -0.887356     -4.632831      7.158037
  C      -0.514071     -3.536370      8.116883
  C      -0.611930     -3.709585      9.504309
  C      -0.307936     -2.665361     10.380027
  C       0.098023     -1.424752      9.881460
  C       0.200457     -1.238506      8.500375
  C      -0.102490     -2.286286      7.628780
  H       0.156031     -4.545429      2.509060
  H       1.333815     -3.527321      3.374087
  H       0.757257     -3.032930      1.774112
  H      -0.817154     -3.129138      4.259613
  H      -2.472226     -1.897622      3.266429
  H      -1.186383     -2.486834      0.556274
  H      -0.972769     -1.005380      1.498117
  H      -3.044320      0.354879      2.130499
  H      -5.201595      1.232115      1.278618
  H      -6.359905      0.088420     -0.609653
  H      -5.330484     -1.935469     -1.640324
  H      -3.174187     -2.809138     -0.781745
  H      -7.482947     -7.619256      7.251847
  H      -8.730699     -6.868226      6.246850
  H      -7.468116     -7.875015      5.488713
  H      -5.883199     -6.139208      6.502629
  H      -6.558211     -4.115117      5.240492
  H      -7.844364     -4.831406      3.152095
  H      -8.479208     -6.177616      4.086318
  H      -9.981516     -3.847299      2.769801
  H     -11.790242     -2.369158      3.598735
  H     -12.001556     -1.898124      6.040936
  H     -10.376547     -2.920488      7.632462
  H      -8.566157     -4.406016      6.791896
  H      -2.404396     -6.850316      8.333809
  H      -3.726371     -6.973174      7.140183
  H      -4.081069     -6.610346      8.854079
  H      -4.182801     -4.601141      7.662251
  H      -2.594269     -3.475268      6.621266
  H      -0.271470     -4.545356      6.249983
  H      -0.672313     -5.616968      7.599702
  H      -0.936662     -4.674413      9.899190
  H      -0.388547     -2.820942     11.457701
  H       0.337558     -0.608775     10.565561
  H       0.523607     -0.275539      8.099953
  H      -0.014496     -2.134114      6.548757
  N      -4.411932     -2.532200      5.131212
  H      -5.098555     -1.953780      4.618420
  H      -3.593066     -1.934103      5.279919
  H      -4.812057     -2.684970      6.061609
  N      -5.557054     -3.092005      2.534741
  N      -6.186210     -2.169823      2.673427
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300723367924
  N      -2.653661     -3.809287      2.548829
  C      -2.446541     -4.749283      1.448500
  C      -2.258005     -6.154308      2.018929
  N      -3.274515     -6.422151      3.081858
  C      -4.519915     -7.018812      2.527502
  C      -5.658889     -6.875947      3.533713
  N      -5.609341     -5.543830      4.132579
  Mo     -3.873386     -4.503701      4.013370
  N      -2.645117     -5.160927      5.426456
  C      -1.876859     -6.380246      5.111110
  C      -2.698780     -7.258079      4.178199
  H      -1.631199     -6.970283      6.009683
  H      -0.906862     -6.127974      4.634613
  H      -3.540933     -7.682452      4.741589
  H      -2.102838     -8.089375      3.760104
  H      -6.609819     -7.058309      2.997763
  H      -5.584555     -7.676216      4.299557
  H      -4.758248     -6.450143      1.617457
  H      -4.358215     -8.077979      2.249760
  H      -1.561996     -4.508534      0.835173
  H      -3.312343     -4.740482      0.755884
  H      -1.270636     -6.207788      2.497491
  H      -2.308718     -6.938378      1.242606
  C       0.449567     -3.498119      2.721192
  N      -0.586285     -2.689869      3.362989
  C      -1.875541     -2.579039      2.635426
  C      -1.669431     -1.834249      1.297787
  C      -2.961882     -1.297092      0.742025
  C      -3.549445     -0.153987      1.304738
  C      -4.761067      0.342703      0.824515
  C      -5.410551     -0.296683     -0.234935
  C      -4.833636     -1.430092     -0.810006
  C      -3.620357     -1.923049     -0.324059
  C      -7.661192     -7.129129      6.283874
  N      -6.843775     -5.919115      6.231141
  C      -6.751308     -5.163911      4.954588
  C      -8.082368     -5.153099      4.176221
  C      -9.157981     -4.245448      4.724849
  C     -10.074031     -3.652889      3.840842
  C     -11.090705     -2.818345      4.305814
  C     -11.208949     -2.552309      5.672762
  C     -10.298726     -3.126497      6.562109
  C      -9.282678     -3.964381      6.094341
  C      -3.372599     -6.421906      8.035286
  N      -3.249566     -4.981128      7.838360
  C      -2.376958     -4.547750      6.733186
  C      -0.887108     -4.632925      7.158097
  C      -0.513814     -3.536427      8.116902
  C      -0.611567     -3.709614      9.504337
  C      -0.307572     -2.665346     10.380005
  C       0.098274     -1.424727      9.881377
  C       0.200598     -1.238508      8.500278
  C      -0.102344     -2.286327      7.628734
  H       0.155952     -4.545198      2.508802
  H       1.333771     -3.527072      3.373778
  H       0.756995     -3.032586      1.773906
  H      -0.817151     -3.129115      4.259553
  H      -2.472379     -1.897625      3.266640
  H      -1.186729     -2.486649      0.556339
  H      -0.973273     -1.005186      1.498189
  H      -3.044889      0.354870      2.130644
  H      -5.202335      1.231842      1.278911
  H      -6.360689      0.087949     -0.609208
  H      -5.331132     -1.935856     -1.639902
  H      -3.174669     -2.809250     -0.781498
  H      -7.483370     -7.619361      7.251839
  H      -8.730932     -6.868534      6.246450
  H      -7.467990     -7.875202      5.488718
  H      -5.883611     -6.139160      6.503070
  H      -6.558240     -4.115260      5.240626
  H      -7.844056     -4.831711      3.151930
  H      -8.479223     -6.177669      4.086299
  H      -9.980242     -3.846301      2.769049
  H     -11.788794     -2.367667      3.597495
  H     -12.001094     -1.897175      6.039719
  H     -10.377239     -2.920577      7.631760
  H      -8.566987     -4.406555      6.791662
  H      -2.404216     -6.850589      8.333781
  H      -3.726252     -6.973253      7.140197
  H      -4.080851     -6.610520      8.854134
  H      -4.182499     -4.601237      7.662506
  H      -2.594076     -3.475379      6.621444
  H      -0.271237     -4.545461      6.250031
  H      -0.672062     -5.617050      7.599786
  H      -0.936214     -4.674452      9.899261
  H      -0.388096     -2.820904     11.457689
  H       0.337806     -0.608719     10.565442
  H       0.523661     -0.275529      8.099814
  H      -0.014449     -2.134194      6.548698
  N      -4.411846     -2.532387      5.131532
  H      -5.098544     -1.953972      4.618831
  H      -3.592986     -1.934270      5.280187
  H      -4.811881     -2.685205      6.061960
  N      -5.557256     -3.092049      2.535208
  N      -6.186353     -2.169854      2.674082
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca E -5923.300723285378
  N      -2.653688     -3.809286      2.548894
  C      -2.446639     -4.749262      1.448531
  C      -2.258024     -6.154280      2.018942
  N      -3.274474     -6.422147      3.081932
  C      -4.519890     -7.018840      2.527640
  C      -5.658821     -6.875979      3.533898
  N      -5.609283     -5.543852      4.132755
  Mo     -3.873330     -4.503725      4.013466
  N      -2.644979     -5.160935      5.426492
  C      -1.876712     -6.380238      5.111108
  C      -2.698651     -7.258082      4.178223
  H      -1.631016     -6.970274      6.009673
  H      -0.906735     -6.127947      4.634582
  H      -3.540757     -7.682506      4.741643
  H      -2.102699     -8.089341      3.760070
  H      -6.609767     -7.058357      2.997985
  H      -5.584449     -7.676237      4.299749
  H      -4.758271     -6.450195      1.617593
  H      -4.358180     -8.078009      2.249911
  H      -1.562156     -4.508474      0.835132
  H      -3.312502     -4.740475      0.755990
  H      -1.270630     -6.207733      2.497453
  H      -2.308757     -6.938357      1.242628
  C       0.449472     -3.498043      2.721111
  N      -0.586338     -2.689734      3.362911
  C      -1.875646     -2.578991      2.635407
  C      -1.669630     -1.834223      1.297748
  C      -2.962114     -1.297121      0.742017
  C      -3.549695     -0.154032      1.304740
  C      -4.761350      0.342616      0.824553
  C      -5.410852     -0.296799     -0.234867
  C      -4.833920     -1.430200     -0.809945
  C      -3.620609     -1.923111     -0.324036
  C      -7.661306     -7.129099      6.283896
  N      -6.843917     -5.919062      6.231214
  C      -6.751316     -5.163899      4.954649
  C      -8.082315     -5.153090      4.176163
  C      -9.157946     -4.245363      4.724630
  C     -10.073851     -3.652772      3.840494
  C     -11.090529     -2.818148      4.305320
  C     -11.208920     -2.552063      5.672244
  C     -10.298841     -3.126282      6.561720
  C      -9.282791     -3.964245      6.094100
  C      -3.372422     -6.422007      8.035279
  N      -3.249361     -4.981220      7.838429
  C      -2.376802     -4.547791      6.733231
  C      -0.886941     -4.632960      7.158115
  C      -0.513660     -3.536492      8.116963
  C      -0.611335     -3.709763      9.504392
  C      -0.307357     -2.665525     10.380103
  C       0.098394     -1.424857      9.881523
  C       0.200640     -1.238555      8.500429
  C      -0.102286     -2.286341      7.628842
  H       0.155807     -4.545122      2.508798
  H       1.333699     -3.526980      3.373665
  H       0.756870     -3.032562      1.773790
  H      -0.817151     -3.128926      4.259517
  H      -2.472474     -1.897587      3.266642
  H      -1.186908     -2.486602      0.556296
  H      -0.973510     -1.005120      1.498125
  H      -3.045133      0.354849      2.130628
  H      -5.202631      1.231744      1.278959
  H      -6.361012      0.087804     -0.609115
  H      -5.331430     -1.935987     -1.639819
  H      -3.174927     -2.809312     -0.781482
  H      -7.483601     -7.619272      7.251912
  H      -8.731049     -6.868535      6.246316
  H      -7.467966     -7.875204      5.488805
  H      -5.883784     -6.139066      6.503282
  H      -6.558271     -4.115245      5.240693
  H      -7.843900     -4.831789      3.151870
  H      -8.479194     -6.177654      4.086278
  H      -9.979947     -3.846229      2.768719
  H     -11.788504     -2.367451      3.596899
  H     -12.001064     -1.896864      6.039086
  H     -10.377469     -2.920323      7.631354
  H      -8.567203     -4.406435      6.791512
  H      -2.404048     -6.850736      8.333736
  H      -3.726115     -6.973296      7.140172
  H      -4.080664     -6.610643      8.854130
  H      -4.182297     -4.601297      7.662661
  H      -2.593947     -3.475421      6.621537
  H      -0.271072     -4.545459      6.250052
  H      -0.671896     -5.617097      7.599778
  H      -0.935910     -4.674643      9.899274
  H      -0.387820     -2.821147     11.457782
  H       0.337914     -0.608874     10.565621
  H       0.523628     -0.275532      8.100009
  H      -0.014459     -2.134152      6.548809
  N      -4.411768     -2.532450      5.131667
  H      -5.098488     -1.954029      4.619000
  H      -3.592920     -1.934320      5.280333
  H      -4.811786     -2.685319      6.062093
  N      -5.557312     -3.092017      2.535410
  N      -6.186365     -2.169807      2.674395
