90
Coordinates from ORCA-job orca E -6141.078347298927
  N      -2.830553      0.631898      5.065732
  Mo     -3.506188      2.511168      5.048774
  N      -5.116823      2.288066      6.158164
  C      -4.970046      2.420332      7.587511
  C      -3.636170      1.794026      8.002872
  N      -2.564437      2.283193      7.120372
  C      -1.508049      1.276926      6.990583
  C      -2.027791      0.103362      6.144809
  C      -2.038758      3.575725      7.597927
  C      -1.992260      4.556853      6.406569
  N      -3.203214      4.347960      5.656957
  H      -1.162801     -0.456962      5.758724
  H      -2.608440     -0.598100      6.766047
  H      -0.670386      1.738947      6.458960
  H      -1.164591      0.927318      7.973897
  H      -1.888909      5.584389      6.773375
  H      -1.129402      4.323144      5.771118
  H      -2.723214      3.983387      8.346372
  H      -1.051858      3.459383      8.055644
  H      -5.781859      1.916721      8.131847
  H      -4.993801      3.483634      7.880571
  H      -3.730028      0.715039      7.871186
  H      -3.406541      2.001522      9.054627
  C      -2.626871     -0.020642      3.800302
  C      -3.579766     -1.212172      3.547668
  C      -4.595943     -0.943955      2.466752
  N      -4.587916      0.259118      1.887673
  C      -5.460619      0.474502      0.899924
  N      -6.313545     -0.364249      0.393179
  C      -6.377457     -1.593818      0.974533
  C      -7.302073     -2.529246      0.494037
  C      -7.385039     -3.774492      1.074181
  C      -6.549639     -4.116588      2.140284
  C      -5.629707     -3.220647      2.628114
  C      -5.514928     -1.938625      2.055759
  C      -4.232244      5.316890      5.856536
  C      -4.152068      6.496846      4.841103
  C      -4.314752      5.986215      3.450016
  N      -5.575398      5.779500      3.058078
  C      -5.773442      5.312787      1.833948
  N      -4.872257      5.006326      0.932072
  C      -3.569887      5.216811      1.285958
  C      -2.562965      4.942369      0.350823
  C      -1.244430      5.179113      0.667468
  C      -0.900348      5.680464      1.923910
  C      -1.866403      5.942588      2.865402
  C      -3.226034      5.719798      2.576281
  C      -6.430101      1.916254      5.707007
  C      -6.324945      0.685685      4.776266
  C      -7.308870      0.712340      3.657269
  N      -7.288528      1.828809      2.928960
  C      -8.141945      1.925098      1.911266
  N      -9.032539      1.054802      1.540636
  C      -9.084490     -0.101597      2.248250
  C     -10.022561     -1.078504      1.878182
  C     -10.096687     -2.259316      2.573384
  C      -9.238459     -2.500203      3.651856
  C      -8.314962     -1.562460      4.036972
  C      -8.213933     -0.333707      3.353487
  H      -2.810848      0.711490      3.011096
  H      -1.583571     -0.368859      3.706480
  H      -4.104680     -1.459415      4.475895
  H      -3.008130     -2.097431      3.256072
  H      -5.424100      1.462148      0.449706
  H      -7.934761     -2.237839     -0.328714
  H      -8.096511     -4.493667      0.700740
  H      -6.627345     -5.097531      2.582643
  H      -4.987083     -3.494962      3.449857
  H      -5.204311      4.831778      5.697625
  H      -4.195901      5.753498      6.866501
  H      -4.975679      7.176229      5.062905
  H      -3.205776      7.020175      4.964777
  H      -6.809704      5.166704      1.545123
  H      -2.856721      4.559758     -0.614820
  H      -0.472965      4.978659     -0.059371
  H       0.137357      5.862568      2.155502
  H      -1.579563      6.326851      3.831071
  H      -7.103365      1.688795      6.547259
  H      -6.894757      2.740133      5.139010
  H      -5.321054      0.779169      4.347728
  H      -6.398296     -0.233707      5.356727
  H      -8.082229      2.845724      1.338756
  H     -10.667186     -0.864280      1.041063
  H     -10.818312     -3.008977      2.289787
  H      -9.306476     -3.434092      4.187481
  H      -7.663055     -1.767584      4.872324
  N      -4.276114      2.727848      3.074651
  N      -4.727780      2.854960      1.916560
  H      -4.110037      2.842033      1.104898
  H      -5.726983      2.975242      1.750142
90
Coordinates from ORCA-job orca E -6141.071417765987
  N      -2.827092      0.582151      4.998779
  Mo     -3.468851      2.489142      5.054077
  N      -5.084734      2.260788      6.136449
  C      -4.948633      2.331320      7.576448
  C      -3.625853      1.664365      7.975957
  N      -2.531285      2.170039      7.113795
  C      -1.487671      1.150987      6.951685
  C      -2.028686      0.023046      6.071117
  C      -1.975545      3.436437      7.637892
  C      -1.904123      4.456073      6.481279
  N      -3.126718      4.310913      5.728289
  H      -1.177216     -0.547985      5.667567
  H      -2.622710     -0.679332      6.682340
  H      -0.638456      1.616647      6.438547
  H      -1.152671      0.761734      7.925735
  H      -1.772491      5.469465      6.883961
  H      -1.045519      4.222024      5.836852
  H      -2.649912      3.835615      8.402326
  H      -0.990379      3.276317      8.091936
  H      -5.776668      1.823844      8.094277
  H      -4.951539      3.383833      7.913957
  H      -3.736857      0.591301      7.800847
  H      -3.399260      1.826350      9.038729
  C      -2.630499     -0.106938      3.736108
  C      -3.618883     -1.306443      3.621760
  C      -4.739027     -1.224619      2.608401
  N      -4.867905     -0.137511      1.852863
  C      -5.858344     -0.129251      0.943762
  N      -6.710242     -1.081318      0.671693
  C      -6.631791     -2.198850      1.444240
  C      -7.546187     -3.243680      1.232190
  C      -7.490634     -4.377498      2.013362
  C      -6.520657     -4.500635      3.017783
  C      -5.608231     -3.493069      3.242445
  C      -5.636236     -2.317828      2.460014
  C      -4.102002      5.338591      6.001188
  C      -4.036941      6.591996      5.066745
  C      -4.352859      6.226153      3.656219
  N      -5.665144      6.152609      3.397046
  C      -6.046958      5.826355      2.163294
  N      -5.276982      5.540119      1.140378
  C      -3.931012      5.608602      1.363880
  C      -3.071750      5.323404      0.297812
  C      -1.705673      5.416112      0.463851
  C      -1.168488      5.781822      1.706815
  C      -1.992122      6.043969      2.780262
  C      -3.393868      5.962032      2.640897
  C      -6.376644      1.944967      5.574836
  C      -6.209450      0.783735      4.562546
  C      -7.083089      0.918999      3.358526
  N      -6.966158      2.094204      2.732156
  C      -7.708865      2.310282      1.642099
  N      -8.577420      1.494823      1.102071
  C      -8.720112      0.277942      1.699890
  C      -9.627175     -0.647094      1.147683
  C      -9.787102     -1.886523      1.724364
  C      -9.050974     -2.239600      2.865492
  C      -8.161322     -1.356173      3.428856
  C      -7.972356     -0.073206      2.869448
  H      -2.812300      0.589260      2.913527
  H      -1.595952     -0.482428      3.633240
  H      -4.078683     -1.448730      4.607535
  H      -3.058866     -2.218745      3.386276
  H      -5.933545      0.770364      0.337766
  H      -8.285117     -3.120266      0.451555
  H      -8.199706     -5.179099      1.848532
  H      -6.489622     -5.398272      3.622867
  H      -4.863229     -3.597204      4.020995
  H      -5.110838      4.923341      5.870395
  H      -3.980115      5.706102      7.033384
  H      -4.806777      7.294030      5.397490
  H      -3.053702      7.054879      5.167130
  H      -7.124490      5.779965      1.987315
  H      -3.525637      5.041933     -0.641709
  H      -1.045006      5.206882     -0.368138
  H      -0.094229      5.852379      1.822729
  H      -1.560098      6.314838      3.734577
  H      -7.118096      1.681914      6.345337
  H      -6.780666      2.814195      5.027922
  H      -5.170804      0.892495      4.226199
  H      -6.340485     -0.178360      5.062213
  H      -7.565272      3.285146      1.167105
  H     -10.177908     -0.347690      0.265610
  H     -10.481390     -2.598523      1.297274
  H      -9.185718     -3.219380      3.306266
  H      -7.601045     -1.648150      4.308225
  N      -4.194995      2.804157      3.122880
  N      -4.628087      2.996676      1.968424
  H      -3.999526      3.008373      1.151332
  H      -5.625930      3.147809      1.801579
90
Coordinates from ORCA-job orca E -6141.135942858358
  N      -2.713270      0.537165      5.112942
  Mo     -3.370629      2.441380      5.099541
  N      -5.044926      2.255694      6.109711
  C      -4.961983      2.376530      7.553818
  C      -3.667525      1.711401      8.036593
  N      -2.533584      2.188230      7.206736
  C      -1.479328      1.162022      7.118416
  C      -1.969533      0.004252      6.241010
  C      -2.008959      3.479703      7.719289
  C      -1.892114      4.471270      6.538358
  N      -3.083361      4.293524      5.733740
  H      -1.092830     -0.569847      5.896950
  H      -2.590145     -0.691136      6.837673
  H      -0.607806      1.618249      6.631368
  H      -1.188425      0.802913      8.120557
  H      -1.787422      5.497908      6.921397
  H      -0.999987      4.231366      5.939776
  H      -2.723453      3.894314      8.440218
  H      -1.044369      3.338240      8.226486
  H      -5.818190      1.894489      8.052205
  H      -4.966369      3.441363      7.857568
  H      -3.776768      0.631334      7.895401
  H      -3.485742      1.909711      9.104155
  C      -2.456531     -0.168058      3.857879
  C      -3.441975     -1.357870      3.651982
  C      -4.461835     -1.169948      2.547882
  N      -4.433890     -0.030670      1.864948
  C      -5.321017      0.132137      0.866280
  N      -6.208766     -0.731195      0.436421
  C      -6.294620     -1.901052      1.130376
  C      -7.273552     -2.838558      0.754437
  C      -7.411766     -4.014162      1.458403
  C      -6.562054     -4.297751      2.543537
  C      -5.582659     -3.400585      2.927052
  C      -5.423403     -2.177109      2.232722
  C      -4.097745      5.310941      5.934060
  C      -4.085934      6.551432      4.975417
  C      -4.409263      6.143055      3.574193
  N      -5.724963      6.003734      3.340523
  C      -6.119597      5.633054      2.113546
  N      -5.351516      5.362939      1.082111
  C      -4.006234      5.490826      1.286086
  C      -3.153305      5.198137      0.215008
  C      -1.786615      5.344077      0.352551
  C      -1.240262      5.771595      1.577163
  C      -2.056860      6.035700      2.658763
  C      -3.459278      5.896574      2.545368
  C      -6.352957      1.937985      5.556524
  C      -6.318837      0.712764      4.607922
  C      -7.241743      0.827787      3.435410
  N      -7.078781      1.920721      2.686702
  C      -7.866930      2.097935      1.616231
  N      -8.823251      1.296398      1.196694
  C      -9.012793      0.152340      1.924399
  C      -9.999332     -0.772639      1.513542
  C     -10.196976     -1.938178      2.227443
  C      -9.433246     -2.211427      3.375216
  C      -8.466782     -1.331131      3.800133
  C      -8.227037     -0.132348      3.091421
  H      -2.594887      0.529156      3.026517
  H      -1.416066     -0.542446      3.815504
  H      -3.981646     -1.520826      4.595686
  H      -2.891477     -2.283744      3.434489
  H      -5.260925      1.074181      0.322891
  H      -7.917392     -2.592112     -0.083567
  H      -8.189198     -4.717730      1.171730
  H      -6.682456     -5.230173      3.088982
  H      -4.936069     -3.625868      3.770406
  H      -5.093005      4.864606      5.794641
  H      -4.007413      5.701962      6.962449
  H      -4.888275      7.224726      5.296837
  H      -3.123916      7.065685      5.064563
  H      -7.201498      5.507799      1.957689
  H      -3.619880      4.860985     -0.702400
  H      -1.130593      5.127707     -0.486416
  H      -0.163571      5.883863      1.672834
  H      -1.618694      6.348571      3.601671
  H      -7.083188      1.743274      6.358551
  H      -6.728235      2.799017      4.976737
  H      -5.293323      0.707501      4.214785
  H      -6.500088     -0.200219      5.183374
  H      -7.673711      3.025941      1.049073
  H     -10.574651     -0.536651      0.623173
  H     -10.938797     -2.662441      1.904965
  H      -9.601646     -3.132571      3.925229
  H      -7.877970     -1.564194      4.682428
  N      -3.937933      2.693968      3.156867
  N      -4.280745      2.848722      1.964923
  H      -3.591774      2.839355      1.190570
  H      -5.265766      2.993872      1.722212
90
Coordinates from ORCA-job orca E -6141.158545860431
  N      -2.670150      0.532345      5.066843
  Mo     -3.358399      2.438665      5.088608
  N      -5.041486      2.248628      6.077029
  C      -4.967103      2.354815      7.526940
  C      -3.683360      1.677001      8.014784
  N      -2.534936      2.165464      7.199731
  C      -1.468423      1.143224      7.104875
  C      -1.934672     -0.001587      6.205714
  C      -2.016337      3.458438      7.733201
  C      -1.890302      4.462604      6.566630
  N      -3.079207      4.305406      5.744524
  H      -1.047571     -0.565733      5.867389
  H      -2.556345     -0.710535      6.790508
  H      -0.595018      1.617977      6.634799
  H      -1.183445      0.774439      8.108174
  H      -1.785368      5.486955      6.963036
  H      -0.987130      4.229821      5.977041
  H      -2.739328      3.861803      8.455021
  H      -1.055974      3.305328      8.251553
  H      -5.832664      1.872209      8.011413
  H      -4.966975      3.417113      7.845987
  H      -3.790278      0.596121      7.860292
  H      -3.509093      1.863157      9.088466
  C      -2.399159     -0.192385      3.813777
  C      -3.386901     -1.383053      3.614945
  C      -4.415084     -1.212860      2.513258
  N      -4.394876     -0.092119      1.807652
  C      -5.308276      0.063578      0.821324
  N      -6.214599     -0.806329      0.423270
  C      -6.286570     -1.963692      1.145479
  C      -7.287431     -2.904016      0.818065
  C      -7.425317     -4.057720      1.561308
  C      -6.547946     -4.324602      2.635095
  C      -5.546578     -3.428159      2.967616
  C      -5.392377     -2.222872      2.236593
  C      -4.093393      5.327360      5.941485
  C      -4.093300      6.570951      4.984687
  C      -4.426949      6.176193      3.580989
  N      -5.740628      6.010400      3.346217
  C      -6.122565      5.630476      2.108167
  N      -5.343306      5.384578      1.071233
  C      -3.998880      5.536683      1.286871
  C      -3.116887      5.248134      0.226394
  C      -1.752110      5.411984      0.385030
  C      -1.229289      5.854033      1.620930
  C      -2.069105      6.110089      2.689284
  C      -3.470825      5.950759      2.553735
  C      -6.349158      1.950445      5.496367
  C      -6.341828      0.729836      4.539051
  C      -7.277261      0.855164      3.372494
  N      -7.115206      1.931180      2.596349
  C      -7.936579      2.099002      1.538458
  N      -8.911493      1.295808      1.147517
  C      -9.089699      0.165201      1.899638
  C     -10.082835     -0.770470      1.518102
  C     -10.269487     -1.926159      2.254326
  C      -9.494488     -2.177108      3.405444
  C      -8.520452     -1.286139      3.801825
  C      -8.284744     -0.101822      3.060780
  H      -2.529522      0.495671      2.973039
  H      -1.358923     -0.570076      3.783559
  H      -3.929966     -1.529660      4.562653
  H      -2.839204     -2.318063      3.412525
  H      -5.253774      1.000902      0.260566
  H      -7.955281     -2.669351     -0.010252
  H      -8.230887     -4.753853      1.319931
  H      -6.668156     -5.241639      3.214390
  H      -4.880664     -3.638457      3.805486
  H      -5.089939      4.879506      5.804932
  H      -4.005128      5.714432      6.973392
  H      -4.900334      7.236476      5.318911
  H      -3.131181      7.094152      5.070767
  H      -7.200147      5.472333      1.949455
  H      -3.564611      4.889355     -0.697593
  H      -1.076316      5.196492     -0.444228
  H      -0.151493      5.980586      1.735310
  H      -1.650557      6.429054      3.644216
  H      -7.081122      1.761877      6.299471
  H      -6.710475      2.822201      4.923263
  H      -5.318775      0.697914      4.134198
  H      -6.534544     -0.182518      5.115730
  H      -7.754987      3.019857      0.956803
  H     -10.669944     -0.552831      0.625216
  H     -11.008488     -2.666481      1.945745
  H      -9.655227     -3.092982      3.975428
  H      -7.916465     -1.503715      4.682169
  N      -3.864933      2.704194      3.234371
  N      -4.197074      2.893740      2.029627
  H      -3.511636      2.902172      1.257367
  H      -5.184907      3.042150      1.786888
90
Coordinates from ORCA-job orca E -6141.173811636774
  N      -2.652738      0.531580      5.043548
  Mo     -3.376678      2.433121      5.081108
  N      -5.048351      2.248847      6.084466
  C      -4.961538      2.360119      7.534354
  C      -3.677237      1.682063      8.014109
  N      -2.531831      2.173618      7.189567
  C      -1.452614      1.159786      7.084585
  C      -1.905347      0.012273      6.186585
  C      -2.013989      3.474646      7.715869
  C      -1.900223      4.474068      6.546661
  N      -3.099347      4.328287      5.732449
  H      -1.011078     -0.541179      5.847762
  H      -2.514603     -0.706138      6.776105
  H      -0.589162      1.651002      6.611132
  H      -1.155786      0.797533      8.087781
  H      -1.789406      5.499815      6.941343
  H      -0.997847      4.242485      5.952602
  H      -2.733244      3.874211      8.444765
  H      -1.050228      3.318500      8.229984
  H      -5.826191      1.879792      8.024414
  H      -4.957461      3.422918      7.852473
  H      -3.777787      0.598891      7.862780
  H      -3.493563      1.871225      9.086751
  C      -2.386253     -0.211831      3.797759
  C      -3.357849     -1.409324      3.605877
  C      -4.377709     -1.223541      2.500279
  N      -4.339608     -0.099204      1.804876
  C      -5.250007      0.082831      0.814393
  N      -6.170421     -0.771366      0.405188
  C      -6.255009     -1.936657      1.119776
  C      -7.268194     -2.865468      0.783284
  C      -7.422152     -4.023319      1.518637
  C      -6.549577     -4.309885      2.594570
  C      -5.538505     -3.427695      2.934113
  C      -5.368714     -2.219493      2.211399
  C      -4.111107      5.345901      5.931183
  C      -4.112971      6.580043      4.963240
  C      -4.473184      6.184756      3.567097
  N      -5.786276      6.029458      3.329924
  C      -6.157664      5.640842      2.085319
  N      -5.373495      5.377064      1.050037
  C      -4.028394      5.512066      1.279811
  C      -3.121373      5.182945      0.241563
  C      -1.758078      5.327005      0.426193
  C      -1.252720      5.788746      1.665099
  C      -2.111406      6.078514      2.708946
  C      -3.514339      5.938600      2.547324
  C      -6.353222      1.956536      5.500431
  C      -6.340249      0.735764      4.548817
  C      -7.268274      0.871005      3.379812
  N      -7.091526      1.939831      2.597472
  C      -7.919654      2.102507      1.537569
  N      -8.900743      1.303725      1.148384
  C      -9.086009      0.180848      1.907713
  C     -10.084012     -0.751981      1.528206
  C     -10.282491     -1.901624      2.269842
  C      -9.514464     -2.151251      3.429127
  C      -8.534746     -1.262052      3.823259
  C      -8.287096     -0.083227      3.072154
  H      -2.528061      0.465273      2.949410
  H      -1.343185     -0.577989      3.771662
  H      -3.905344     -1.559718      4.551959
  H      -2.809287     -2.346763      3.409749
  H      -5.181004      1.030843      0.269705
  H      -7.933537     -2.615597     -0.044791
  H      -8.238803     -4.707072      1.272346
  H      -6.682401     -5.230203      3.168383
  H      -4.875913     -3.652762      3.772607
  H      -5.110534      4.895797      5.815370
  H      -4.014772      5.742805      6.959190
  H      -4.908747      7.254397      5.310990
  H      -3.144944      7.097395      5.029013
  H      -7.232844      5.493718      1.920244
  H      -3.551938      4.799585     -0.683317
  H      -1.066883      5.078675     -0.382744
  H      -0.174266      5.899104      1.801062
  H      -1.709198      6.405423      3.669477
  H      -7.084474      1.776030      6.306620
  H      -6.709182      2.828351      4.924098
  H      -5.316002      0.690567      4.146107
  H      -6.537171     -0.177232      5.122836
  H      -7.738016      3.014006      0.951060
  H     -10.666711     -0.537060      0.629888
  H     -11.024650     -2.640971      1.959587
  H      -9.684051     -3.063931      4.004761
  H      -7.934829     -1.477835      4.707640
  N      -3.865129      2.651526      3.347735
  N      -4.226627      2.839025      2.129313
  H      -3.568849      2.854389      1.345443
  H      -5.222712      2.971137      1.914382
90
Coordinates from ORCA-job orca E -6141.179755447764
  N      -2.601441      0.545982      4.986598
  Mo     -3.385585      2.423950      5.061078
  N      -5.056098      2.213130      6.065033
  C      -4.969514      2.305576      7.514957
  C      -3.681368      1.631549      7.987234
  N      -2.538327      2.150978      7.178729
  C      -1.441124      1.160221      7.061220
  C      -1.862441      0.023635      6.134732
  C      -2.044083      3.454158      7.719402
  C      -1.931897      4.462614      6.559436
  N      -3.120233      4.330557      5.730401
  H      -0.954200     -0.509358      5.801504
  H      -2.466197     -0.716663      6.701642
  H      -0.585890      1.682159      6.607042
  H      -1.143001      0.786191      8.058916
  H      -1.827690      5.484528      6.965634
  H      -1.021001      4.246162      5.973273
  H      -2.774439      3.833452      8.447506
  H      -1.084625      3.302178      8.241619
  H      -5.832507      1.812683      7.995161
  H      -4.974281      3.362952      7.848386
  H      -3.763783      0.549849      7.817538
  H      -3.502379      1.805466      9.062733
  C      -2.338162     -0.203737      3.747995
  C      -3.300398     -1.408742      3.575459
  C      -4.334057     -1.245723      2.477117
  N      -4.301290     -0.143869      1.745287
  C      -5.233780      0.015590      0.772953
  N      -6.170238     -0.839501      0.412495
  C      -6.245621     -1.982641      1.162419
  C      -7.274878     -2.911089      0.880929
  C      -7.424015     -4.041139      1.658818
  C      -6.530049     -4.301785      2.721859
  C      -5.502808     -3.420638      3.006413
  C      -5.338917     -2.240131      2.240435
  C      -4.135321      5.337646      5.926361
  C      -4.125616      6.576905      4.965972
  C      -4.478604      6.209626      3.561350
  N      -5.785415      6.056367      3.306242
  C      -6.135853      5.689471      2.050817
  N      -5.341295      5.451741      1.018149
  C      -4.001090      5.573853      1.268231
  C      -3.078521      5.243226      0.244015
  C      -1.719288      5.360963      0.458864
  C      -1.230636      5.800495      1.711478
  C      -2.104638      6.092302      2.739817
  C      -3.505673      5.975758      2.549109
  C      -6.360269      1.939427      5.473826
  C      -6.349957      0.729183      4.507988
  C      -7.288623      0.877616      3.349412
  N      -7.109435      1.948618      2.568842
  C      -7.956660      2.124122      1.526841
  N      -8.946076      1.335824      1.146930
  C      -9.128303      0.208289      1.899430
  C     -10.133184     -0.715802      1.521662
  C     -10.333078     -1.868758      2.255941
  C      -9.559924     -2.128343      3.408227
  C      -8.571587     -1.247331      3.799344
  C      -8.319980     -0.067436      3.051816
  H      -2.488147      0.462288      2.893020
  H      -1.292706     -0.560609      3.726667
  H      -3.839580     -1.551443      4.527093
  H      -2.750682     -2.347090      3.393522
  H      -5.172702      0.948766      0.205147
  H      -7.958693     -2.679962      0.063986
  H      -8.255826     -4.720097      1.461079
  H      -6.659364     -5.199254      3.329235
  H      -4.823212     -3.624540      3.835137
  H      -5.132137      4.882175      5.808942
  H      -4.054335      5.735098      6.955482
  H      -4.917087      7.251433      5.323355
  H      -3.158574      7.090606      5.040662
  H      -7.207524      5.547027      1.871537
  H      -3.491665      4.868136     -0.692050
  H      -1.016517      5.107265     -0.336598
  H      -0.154674      5.890618      1.869562
  H      -1.717752      6.396765      3.711869
  H      -7.090517      1.755006      6.279833
  H      -6.712901      2.821134      4.910742
  H      -5.329931      0.681614      4.098348
  H      -6.540719     -0.191870      5.069465
  H      -7.784010      3.037226      0.943901
  H     -10.720194     -0.492569      0.629629
  H     -11.077357     -2.602779      1.942275
  H      -9.729906     -3.042696      3.978653
  H      -7.966106     -1.473004      4.676129
  N      -3.864781      2.649790      3.369634
  N      -4.245845      2.864009      2.154676
  H      -3.596909      2.907272      1.371077
  H      -5.248113      2.966820      1.965023
90
Coordinates from ORCA-job orca E -6141.184234007493
  N      -2.546961      0.557494      4.964234
  Mo     -3.392549      2.404325      5.065784
  N      -5.059754      2.176123      6.076780
  C      -4.971920      2.259422      7.526139
  C      -3.679122      1.591913      7.992039
  N      -2.540165      2.131704      7.193303
  C      -1.428456      1.160488      7.068004
  C      -1.821023      0.031963      6.119129
  C      -2.066696      3.441373      7.734613
  C      -1.952636      4.447566      6.572874
  N      -3.131072      4.322304      5.731493
  H      -0.899140     -0.483672      5.794997
  H      -2.421583     -0.726833      6.664429
  H      -0.580235      1.706403      6.629328
  H      -1.128174      0.777713      8.061597
  H      -1.851238      5.469614      6.980803
  H      -1.033966      4.237218      5.996375
  H      -2.807371      3.810385      8.457491
  H      -1.111084      3.299179      8.266584
  H      -5.832432      1.757763      8.002059
  H      -4.983731      3.314143      7.868173
  H      -3.746390      0.511083      7.810580
  H      -3.502755      1.756599      9.069616
  C      -2.285987     -0.196965      3.732235
  C      -3.249868     -1.399970      3.564511
  C      -4.283880     -1.244375      2.464948
  N      -4.237773     -0.161728      1.704000
  C      -5.177283     -0.013249      0.737040
  N      -6.132209     -0.858699      0.408923
  C      -6.216684     -1.984164      1.183838
  C      -7.258476     -2.906066      0.931319
  C      -7.414736     -4.016288      1.735991
  C      -6.517263     -4.262598      2.798443
  C      -5.477805     -3.387595      3.054900
  C      -5.305181     -2.228300      2.259757
  C      -4.149338      5.323608      5.919123
  C      -4.133110      6.563375      4.960561
  C      -4.498042      6.216490      3.554322
  N      -5.805947      6.081812      3.301707
  C      -6.165038      5.740126      2.042870
  N      -5.379171      5.514602      1.002508
  C      -4.037135      5.603748      1.249981
  C      -3.125297      5.256473      0.222790
  C      -1.764138      5.327499      0.441366
  C      -1.262314      5.740350      1.697274
  C      -2.127375      6.050839      2.727138
  C      -3.530806      5.977996      2.534763
  C      -6.362603      1.921960      5.477769
  C      -6.349014      0.721452      4.500672
  C      -7.283854      0.886071      3.341774
  N      -7.082621      1.957746      2.564718
  C      -7.923539      2.149005      1.521400
  N      -8.917838      1.373833      1.132205
  C      -9.120508      0.244863      1.879087
  C     -10.131684     -0.665313      1.487965
  C     -10.356500     -1.815979      2.218966
  C      -9.601437     -2.085117      3.380054
  C      -8.605092     -1.218244      3.782510
  C      -8.327355     -0.042812      3.038214
  H      -2.433003      0.463937      2.872355
  H      -1.240213     -0.553288      3.717572
  H      -3.791152     -1.536136      4.515870
  H      -2.704061     -2.342328      3.393001
  H      -5.111621      0.909463      0.152839
  H      -7.946990     -2.684369      0.115924
  H      -8.256982     -4.688934      1.563722
  H      -6.652848     -5.144117      3.427001
  H      -4.793402     -3.581227      3.881763
  H      -5.145628      4.865363      5.806666
  H      -4.078087      5.728499      6.946558
  H      -4.912752      7.245088      5.331195
  H      -3.162257      7.069348      5.031933
  H      -7.240137      5.618237      1.867506
  H      -3.545487      4.896518     -0.716424
  H      -1.068813      5.056316     -0.354662
  H      -0.184367      5.794455      1.856295
  H      -1.732336      6.330420      3.702963
  H      -7.097947      1.736782      6.279128
  H      -6.706043      2.811341      4.921183
  H      -5.327786      0.671328      4.094854
  H      -6.540232     -0.207504      5.049150
  H      -7.740562      3.062908      0.942629
  H     -10.705101     -0.433476      0.589560
  H     -11.105221     -2.539756      1.893260
  H      -9.790007     -2.997133      3.947959
  H      -8.012260     -1.453964      4.665229
  N      -3.887981      2.626319      3.372649
  N      -4.295374      2.843763      2.164084
  H      -3.654003      2.904503      1.376529
  H      -5.305799      2.908432      1.999290
90
Coordinates from ORCA-job orca E -6141.187990009446
  N      -2.489107      0.585433      4.932399
  Mo     -3.396428      2.393015      5.065671
  N      -5.070277      2.141221      6.068315
  C      -4.991043      2.205726      7.518319
  C      -3.694855      1.545133      7.982832
  N      -2.554732      2.111008      7.207768
  C      -1.426904      1.161544      7.074327
  C      -1.783052      0.048793      6.094051
  C      -2.105720      3.423798      7.760350
  C      -1.975887      4.432083      6.603887
  N      -3.136400      4.320005      5.740400
  H      -0.845392     -0.447266      5.782161
  H      -2.382899     -0.732041      6.608318
  H      -0.583902      1.734429      6.660665
  H      -1.129600      0.762242      8.062287
  H      -1.877868      5.452297      7.019456
  H      -1.044516      4.227599      6.045242
  H      -2.862532      3.780127      8.472827
  H      -1.158985      3.287977      8.310096
  H      -5.850818      1.689282      7.980436
  H      -5.016053      3.255297      7.876508
  H      -3.743237      0.466787      7.780706
  H      -3.530008      1.692403      9.065248
  C      -2.234081     -0.167742      3.703999
  C      -3.197402     -1.370030      3.542050
  C      -4.242768     -1.217495      2.453903
  N      -4.195213     -0.149288      1.671561
  C      -5.154727     -0.007390      0.722469
  N      -6.128833     -0.843304      0.431726
  C      -6.208609     -1.958043      1.222961
  C      -7.257897     -2.878719      1.000493
  C      -7.401087     -3.980677      1.819239
  C      -6.487817     -4.215746      2.870177
  C      -5.442527     -3.339967      3.098900
  C      -5.278515     -2.193103      2.284251
  C      -4.156915      5.317065      5.913121
  C      -4.123778      6.550458      4.950226
  C      -4.486137      6.208481      3.542921
  N      -5.792143      6.083582      3.284827
  C      -6.150664      5.755014      2.022965
  N      -5.364969      5.538934      0.981866
  C      -4.023344      5.608015      1.233518
  C      -3.113778      5.261382      0.204623
  C      -1.753244      5.299032      0.433963
  C      -1.249353      5.683905      1.697782
  C      -2.113516      6.003613      2.725700
  C      -3.516502      5.962227      2.524268
  C      -6.373060      1.905771      5.459149
  C      -6.360557      0.722824      4.459251
  C      -7.312694      0.893715      3.313645
  N      -7.131144      1.974999      2.541292
  C      -7.990839      2.166650      1.513095
  N      -8.981576      1.384813      1.131833
  C      -9.165673      0.248631      1.873954
  C     -10.176438     -0.664118      1.491509
  C     -10.390153     -1.817233      2.223309
  C      -9.618849     -2.086116      3.372985
  C      -8.619708     -1.216909      3.764762
  C      -8.355720     -0.038310      3.021418
  H      -2.384290      0.492517      2.843061
  H      -1.187306     -0.521581      3.689202
  H      -3.732076     -1.508713      4.496800
  H      -2.653542     -2.313688      3.370410
  H      -5.092072      0.907680      0.125247
  H      -7.960414     -2.664441      0.194986
  H      -8.245174     -4.656537      1.669636
  H      -6.614124     -5.090507      3.510064
  H      -4.742758     -3.527100      3.914203
  H      -5.153402      4.859096      5.798943
  H      -4.103311      5.732219      6.938334
  H      -4.895672      7.242073      5.320135
  H      -3.149300      7.049478      5.024273
  H      -7.227389      5.647192      1.847211
  H      -3.531458      4.925506     -0.745341
  H      -1.058614      5.023665     -0.361449
  H      -0.171339      5.712953      1.862715
  H      -1.718708      6.263378      3.707165
  H      -7.109024      1.708444      6.257517
  H      -6.714487      2.806065      4.919368
  H      -5.342841      0.683083      4.043204
  H      -6.535085     -0.219018      4.992349
  H      -7.828848      3.086099      0.936711
  H     -10.763108     -0.430754      0.602031
  H     -11.143181     -2.539726      1.904872
  H      -9.797322     -2.999572      3.942013
  H      -8.015235     -1.453858      4.639493
  N      -3.884424      2.629318      3.370339
  N      -4.308037      2.864164      2.169140
  H      -3.664067      2.944084      1.385923
  H      -5.326753      2.886111      2.025112
90
Coordinates from ORCA-job orca E -6141.191136188287
  N      -2.452941      0.610614      4.916933
  Mo     -3.407783      2.381392      5.081624
  N      -5.075988      2.118612      6.094698
  C      -4.995187      2.176135      7.544254
  C      -3.694110      1.519789      7.998520
  N      -2.558595      2.098961      7.228581
  C      -1.423310      1.161380      7.081576
  C      -1.761591      0.062394      6.081605
  C      -2.118910      3.415226      7.780161
  C      -1.977182      4.418840      6.622598
  N      -3.130197      4.317151      5.750680
  H      -0.815149     -0.422862      5.775986
  H      -2.362066     -0.732196      6.574141
  H      -0.584443      1.749571      6.680716
  H      -1.122394      0.747929      8.062915
  H      -1.872677      5.439079      7.038948
  H      -1.040741      4.210166      6.072993
  H      -2.883003      3.769824      8.485899
  H      -1.176509      3.283926      8.339620
  H      -5.851403      1.651637      8.004856
  H      -5.025816      3.223388      7.910543
  H      -3.733567      0.443209      7.783404
  H      -3.528884      1.655326      9.083131
  C      -2.203859     -0.146479      3.691364
  C      -3.173546     -1.344121      3.526637
  C      -4.209517     -1.201782      2.428868
  N      -4.137921     -0.158933      1.615132
  C      -5.091879     -0.031311      0.655683
  N      -6.077736     -0.860042      0.383291
  C      -6.176838     -1.953707      1.201686
  C      -7.231435     -2.871239      0.991430
  C      -7.389714     -3.953060      1.834077
  C      -6.488552     -4.168888      2.900199
  C      -5.439013     -3.294393      3.119017
  C      -5.257755     -2.169042      2.277390
  C      -4.151102      5.314728      5.914169
  C      -4.117832      6.541378      4.944223
  C      -4.493498      6.196482      3.540965
  N      -5.801823      6.075278      3.294526
  C      -6.176476      5.751097      2.034400
  N      -5.401752      5.538968      0.984977
  C      -4.057212      5.598053      1.224332
  C      -3.161216      5.249836      0.184081
  C      -1.798041      5.265292      0.404560
  C      -1.278200      5.634089      1.667388
  C      -2.129986      5.963293      2.703680
  C      -3.534598      5.942622      2.512471
  C      -6.377635      1.900666      5.475958
  C      -6.361699      0.720706      4.474039
  C      -7.300273      0.895389      3.318174
  N      -7.086162      1.962674      2.532103
  C      -7.923046      2.152340      1.484210
  N      -8.917540      1.377842      1.094521
  C      -9.136509      0.257133      1.853291
  C     -10.152091     -0.647268      1.464763
  C     -10.403837     -1.781331      2.216716
  C      -9.665727     -2.036520      3.390935
  C      -8.659344     -1.176923      3.787058
  C      -8.355995     -0.020395      3.024625
  H      -2.344249      0.513716      2.827892
  H      -1.158692     -0.506988      3.682275
  H      -3.717008     -1.477621      4.477408
  H      -2.631395     -2.291390      3.366130
  H      -5.010889      0.865339      0.032286
  H      -7.925741     -2.670639      0.174702
  H      -8.237362     -4.627459      1.693556
  H      -6.627467     -5.028046      3.559197
  H      -4.747592     -3.468192      3.944821
  H      -5.149189      4.857873      5.806457
  H      -4.102502      5.740100      6.936272
  H      -4.880707      7.241382      5.318349
  H      -3.139460      7.036097      5.007957
  H      -7.256505      5.647569      1.871974
  H      -3.588187      4.929095     -0.767343
  H      -1.112971      4.984956     -0.398183
  H      -0.198116      5.645656      1.823854
  H      -1.724153      6.211864      3.684297
  H      -7.123267      1.707452      6.266786
  H      -6.704653      2.805300      4.934573
  H      -5.339239      0.674087      4.068732
  H      -6.541531     -0.222627      5.004029
  H      -7.735611      3.060095      0.895246
  H     -10.714001     -0.423177      0.556516
  H     -11.161625     -2.497386      1.894106
  H      -9.873765     -2.933883      3.976333
  H      -8.079596     -1.406491      4.680828
  N      -3.926417      2.626388      3.396612
  N      -4.395986      2.871173      2.215392
  H      -3.769752      2.962731      1.418008
  H      -5.424374      2.850541      2.115264
90
Coordinates from ORCA-job orca E -6141.194078377232
  N      -2.402862      0.639551      4.904321
  Mo     -3.412558      2.367026      5.085909
  N      -5.081634      2.078583      6.094513
  C      -5.008280      2.124133      7.544716
  C      -3.699656      1.484470      7.997126
  N      -2.571124      2.089354      7.240486
  C      -1.418480      1.173566      7.090274
  C      -1.725769      0.083134      6.072644
  C      -2.158456      3.410803      7.797578
  C      -2.000723      4.411912      6.641541
  N      -3.135692      4.310448      5.747351
  H      -0.767523     -0.385878      5.777374
  H      -2.324241     -0.726470      6.542456
  H      -0.585905      1.781548      6.706124
  H      -1.117617      0.749719      8.067257
  H      -1.902276      5.432491      7.058946
  H      -1.053287      4.204205      6.110413
  H      -2.940367      3.757911      8.487268
  H      -1.225628      3.292267      8.376334
  H      -5.857865      1.582585      7.997971
  H      -5.056906      3.167348      7.920610
  H      -3.720737      0.410331      7.767000
  H      -3.542917      1.607645      9.084674
  C      -2.161281     -0.115956      3.677049
  C      -3.127736     -1.315696      3.512929
  C      -4.171961     -1.170995      2.425169
  N      -4.098590     -0.133085      1.605503
  C      -5.065197     -0.000523      0.657743
  N      -6.063495     -0.820090      0.403193
  C      -6.159940     -1.912703      1.223690
  C      -7.219584     -2.826616      1.023742
  C      -7.369634     -3.910907      1.864757
  C      -6.458385     -4.129342      2.921993
  C      -5.405692     -3.256341      3.132574
  C      -5.229538     -2.131172      2.289280
  C      -4.159947      5.308805      5.893348
  C      -4.109052      6.534945      4.922831
  C      -4.479549      6.197104      3.517105
  N      -5.787471      6.097183      3.260676
  C      -6.159331      5.789024      1.994746
  N      -5.379768      5.572659      0.949964
  C      -4.035574      5.604432      1.201712
  C      -3.137343      5.239683      0.169038
  C      -1.776032      5.219197      0.404489
  C      -1.260568      5.569557      1.674152
  C      -2.115178      5.916885      2.702548
  C      -3.517278      5.931118      2.496186
  C      -6.385619      1.876143      5.473133
  C      -6.374739      0.717269      4.447770
  C      -7.333222      0.900191      3.310166
  N      -7.144904      1.980825      2.535189
  C      -7.998513      2.173552      1.501180
  N      -8.989917      1.392347      1.115832
  C      -9.187786      0.262273      1.866229
  C     -10.201833     -0.646072      1.484596
  C     -10.436907     -1.787042      2.232751
  C      -9.680530     -2.045800      3.394172
  C      -8.673041     -1.183154      3.782059
  C      -8.387510     -0.018992      3.024149
  H      -2.307186      0.547388      2.816772
  H      -1.115427     -0.474839      3.660326
  H      -3.662813     -1.460562      4.466711
  H      -2.581256     -2.258836      3.341395
  H      -4.983441      0.892460      0.028983
  H      -7.922083     -2.623390      0.214681
  H      -8.217415     -4.586327      1.730227
  H      -6.591628     -4.990081      3.580117
  H      -4.706017     -3.433862      3.950569
  H      -5.158414      4.854910      5.775125
  H      -4.125962      5.737284      6.914925
  H      -4.863723      7.246372      5.291543
  H      -3.124399      7.017020      4.992579
  H      -7.239478      5.704848      1.825768
  H      -3.560177      4.933135     -0.787767
  H      -1.089703      4.923893     -0.391800
  H      -0.182342      5.551571      1.842467
  H      -1.714407      6.149161      3.689396
  H      -7.130617      1.667795      6.260697
  H      -6.711964      2.792043      4.950403
  H      -5.356970      0.689585      4.027833
  H      -6.535679     -0.237917      4.962314
  H      -7.828792      3.088631      0.919741
  H     -10.778960     -0.418307      0.586885
  H     -11.197470     -2.502966      1.916588
  H      -9.875542     -2.947619      3.977395
  H      -8.080279     -1.415758      4.666358
  N      -3.940210      2.604830      3.399592
  N      -4.435277      2.836261      2.227042
  H      -3.816831      2.938239      1.423760
  H      -5.466195      2.749092      2.144498
90
Coordinates from ORCA-job orca E -6141.196716752615
  N      -2.354510      0.680927      4.883450
  Mo     -3.417751      2.362632      5.092801
  N      -5.088493      2.037826      6.089493
  C      -5.026645      2.068271      7.540553
  C      -3.711388      1.443943      7.992898
  N      -2.588377      2.074675      7.252362
  C      -1.420907      1.178403      7.097196
  C      -1.697832      0.104553      6.053688
  C      -2.200440      3.396479      7.823443
  C      -2.020367      4.402137      6.675211
  N      -3.135537      4.305417      5.755668
  H      -0.729600     -0.350155      5.769057
  H      -2.299183     -0.719677      6.492548
  H      -0.591924      1.805277      6.736699
  H      -1.124740      0.737190      8.067763
  H      -1.927470      5.420484      7.098350
  H      -1.062315      4.195379      6.163165
  H      -3.002019      3.734948      8.494414
  H      -1.280834      3.284939      8.424625
  H      -5.869147      1.507276      7.983036
  H      -5.096232      3.106123      7.927400
  H      -3.716261      0.373587      7.744834
  H      -3.564540      1.550508      9.083422
  C      -2.117158     -0.068611      3.651208
  C      -3.081617     -1.269386      3.488769
  C      -4.128944     -1.131061      2.404202
  N      -4.043868     -0.113140      1.561012
  C      -5.016211      0.013908      0.617553
  N      -6.031703     -0.792257      0.391772
  C      -6.136220     -1.868211      1.233063
  C      -7.207215     -2.773314      1.055401
  C      -7.359650     -3.845271      1.911801
  C      -6.443033     -4.055981      2.965671
  C      -5.381774     -3.189150      3.156731
  C      -5.200185     -2.079480      2.294636
  C      -4.162160      5.305140      5.882647
  C      -4.094792      6.524971      4.905499
  C      -4.463202      6.179102      3.500488
  N      -5.770776      6.087337      3.242172
  C      -6.142206      5.783513      1.974307
  N      -5.362216      5.569988      0.929751
  C      -4.018366      5.590677      1.185210
  C      -3.120330      5.230553      0.151065
  C      -1.760127      5.191513      0.391456
  C      -1.245756      5.522566      1.666293
  C      -2.099926      5.872797      2.693954
  C      -3.500817      5.904208      2.482803
  C      -6.392651      1.844265      5.463996
  C      -6.385335      0.692679      4.430325
  C      -7.355991      0.876627      3.304875
  N      -7.171719      1.956228      2.526816
  C      -8.028710      2.150691      1.497046
  N      -9.025298      1.372444      1.119537
  C      -9.224550      0.246043      1.875515
  C     -10.247507     -0.656073      1.505194
  C     -10.489269     -1.790134      2.262405
  C      -9.728131     -2.048916      3.420059
  C      -8.709792     -1.193210      3.796450
  C      -8.418712     -0.035688      3.030108
  H      -2.263779      0.599024      2.794660
  H      -1.071969     -0.428853      3.630230
  H      -3.611621     -1.417811      4.444540
  H      -2.531119     -2.209703      3.314719
  H      -4.926121      0.891285     -0.031154
  H      -7.913535     -2.575437      0.248661
  H      -8.211553     -4.517361      1.791066
  H      -6.578672     -4.906163      3.636417
  H      -4.678295     -3.361980      3.972143
  H      -5.160195      4.853685      5.752918
  H      -4.141642      5.736866      6.902869
  H      -4.842408      7.248378      5.263984
  H      -3.105271      6.996369      4.976135
  H      -7.222077      5.706065      1.803966
  H      -3.542213      4.945855     -0.812818
  H      -1.074398      4.898191     -0.405598
  H      -0.168762      5.490101      1.838417
  H      -1.700474      6.093279      3.683575
  H      -7.139544      1.629822      6.247872
  H      -6.715806      2.766061      4.949452
  H      -5.370997      0.675087      4.002067
  H      -6.534608     -0.266696      4.939713
  H      -7.856074      3.062664      0.912884
  H     -10.829307     -0.427794      0.610995
  H     -11.261525     -2.497839      1.957029
  H      -9.929091     -2.943777      4.011524
  H      -8.115267     -1.425178      4.679391
  N      -3.946416      2.621333      3.410639
  N      -4.465160      2.861217      2.250069
  H      -3.854736      2.972396      1.442210
  H      -5.498744      2.723848      2.179207
90
Coordinates from ORCA-job orca E -6141.199090942612
  N      -2.321170      0.722741      4.870856
  Mo     -3.436993      2.359190      5.106070
  N      -5.099862      1.998232      6.102270
  C      -5.040700      2.016676      7.554382
  C      -3.714649      1.412309      8.000710
  N      -2.604970      2.068122      7.263479
  C      -1.421781      1.193190      7.101427
  C      -1.674864      0.131252      6.039751
  C      -2.240199      3.392271      7.841518
  C      -2.043758      4.397673      6.696192
  N      -3.143749      4.300238      5.756573
  H      -0.698742     -0.309275      5.760021
  H      -2.274748     -0.705144      6.456197
  H      -0.600122      1.837629      6.755758
  H      -1.123934      0.740800      8.066188
  H      -1.955706      5.416137      7.118838
  H      -1.078549      4.188739      6.198784
  H      -3.058793      3.725251      8.494438
  H      -1.331998      3.290459      8.461771
  H      -5.871745      1.435841      7.992915
  H      -5.131254      3.049893      7.949084
  H      -3.704380      0.344708      7.740475
  H      -3.568596      1.507685      9.092239
  C      -2.087720     -0.020313      3.632965
  C      -3.043925     -1.226436      3.465920
  C      -4.092604     -1.089587      2.383062
  N      -4.001341     -0.078771      1.531834
  C      -4.976169      0.049836      0.591291
  N      -6.001066     -0.747663      0.377783
  C      -6.108412     -1.819644      1.223813
  C      -7.185118     -2.719526      1.052676
  C      -7.337038     -3.791263      1.909729
  C      -6.416143     -4.004461      2.959094
  C      -5.351613     -3.140774      3.145587
  C      -5.169285     -2.032792      2.281796
  C      -4.169364      5.305539      5.862222
  C      -4.077880      6.518700      4.879196
  C      -4.440103      6.168240      3.472612
  N      -5.746446      6.090222      3.206753
  C      -6.111864      5.786889      1.936531
  N      -5.327777      5.565527      0.896900
  C      -3.985643      5.571349      1.161659
  C      -3.084480      5.201819      0.133497
  C      -1.726991      5.142659      0.384435
  C      -1.218485      5.463975      1.663913
  C      -2.075279      5.826657      2.684804
  C      -3.474024      5.878187      2.462950
  C      -6.406977      1.815000      5.479358
  C      -6.402492      0.673473      4.434250
  C      -7.384103      0.860199      3.320280
  N      -7.203693      1.940478      2.540963
  C      -8.061335      2.134913      1.512735
  N      -9.059373      1.356595      1.138903
  C      -9.259252      0.232993      1.899058
  C     -10.284889     -0.668076      1.534621
  C     -10.529931     -1.797623      2.298067
  C      -9.769143     -2.052932      3.456320
  C      -8.746158     -1.199222      3.826244
  C      -8.451739     -0.047411      3.052861
  H      -2.237981      0.653161      2.781827
  H      -1.041320     -0.376679      3.606209
  H      -3.568313     -1.387705      4.422316
  H      -2.483927     -2.159306      3.281458
  H      -4.881146      0.920374     -0.065937
  H      -7.894420     -2.519391      0.249124
  H      -8.190933     -4.461086      1.791946
  H      -6.551553     -4.853819      3.630902
  H      -4.645824     -3.316247      3.958427
  H      -5.167543      4.859280      5.717860
  H      -4.161017      5.739695      6.881112
  H      -4.817448      7.255832      5.225574
  H      -3.081646      6.974854      4.953838
  H      -7.190998      5.720575      1.758834
  H      -3.503452      4.928842     -0.835511
  H      -1.039468      4.841339     -0.407961
  H      -0.143637      5.414544      1.845057
  H      -1.680674      6.040420      3.677700
  H      -7.153821      1.592362      6.260877
  H      -6.727905      2.743482      4.975972
  H      -5.392329      0.669377      3.996394
  H      -6.538533     -0.291557      4.936784
  H      -7.886093      3.044886      0.926558
  H     -10.868024     -0.441903      0.640772
  H     -11.306966     -2.502518      1.998528
  H      -9.974122     -2.942582      4.054249
  H      -8.151464     -1.427753      4.710158
  N      -3.988565      2.624675      3.433306
  N      -4.545361      2.858380      2.288297
  H      -3.954704      2.973879      1.466405
  H      -5.575501      2.662660      2.233952
90
Coordinates from ORCA-job orca E -6141.201209268056
  N      -2.297606      0.772781      4.854147
  Mo     -3.464933      2.364396      5.117605
  N      -5.118249      1.957467      6.109301
  C      -5.061585      1.961475      7.563155
  C      -3.723582      1.379774      8.003643
  N      -2.628702      2.061602      7.268863
  C      -1.430118      1.207902      7.100095
  C      -1.661443      0.161395      6.018525
  C      -2.286565      3.385982      7.857205
  C      -2.070950      4.393147      6.718050
  N      -3.154234      4.295491      5.756460
  H      -0.679080     -0.266268      5.741320
  H      -2.261388     -0.685605      6.411641
  H      -0.615235      1.869082      6.771150
  H      -1.132342      0.742909      8.058547
  H      -1.989297      5.411365      7.140643
  H      -1.098871      4.181978      6.235602
  H      -3.123285      3.713452      8.489591
  H      -1.392269      3.291550      8.498628
  H      -5.878841      1.357555      7.996259
  H      -5.177165      2.988638      7.966483
  H      -3.697615      0.315269      7.731512
  H      -3.577002      1.463944      9.095693
  C      -2.067385      0.041694      3.607815
  C      -3.012825     -1.171545      3.432772
  C      -4.065945     -1.036853      2.354132
  N      -3.975139     -0.031333      1.496340
  C      -4.953739      0.094934      0.560340
  N      -5.985313     -0.697786      0.360211
  C      -6.089858     -1.766244      1.210599
  C      -7.169932     -2.664441      1.048659
  C      -7.315315     -3.736907      1.906281
  C      -6.386388     -3.950179      2.948150
  C      -5.320775     -3.086470      3.127266
  C      -5.143845     -1.979107      2.261971
  C      -4.174927      5.312086      5.836376
  C      -4.049178      6.517755      4.849076
  C      -4.395181      6.162264      3.438264
  N      -5.698221      6.091944      3.156520
  C      -6.047993      5.785476      1.882598
  N      -5.252298      5.558952      0.853253
  C      -3.913573      5.558445      1.135103
  C      -3.001327      5.183004      0.119182
  C      -1.648065      5.113390      0.387948
  C      -1.155003      5.430129      1.674425
  C      -2.022205      5.799825      2.683420
  C      -3.417698      5.861953      2.443041
  C      -6.429620      1.776345      5.493269
  C      -6.428136      0.639055      4.442839
  C      -7.427478      0.822108      3.345371
  N      -7.258122      1.904100      2.564591
  C      -8.121133      2.097643      1.542535
  N      -9.120725      1.317290      1.177228
  C      -9.313925      0.194767      1.941417
  C     -10.341593     -0.707775      1.587291
  C     -10.582120     -1.835011      2.356129
  C      -9.814380     -2.086944      3.510220
  C      -8.787838     -1.232330      3.869846
  C      -8.498083     -0.083985      3.089853
  H      -2.222932      0.724433      2.765110
  H      -1.018923     -0.308250      3.573516
  H      -3.528947     -1.350553      4.389963
  H      -2.440509     -2.093761      3.232884
  H      -4.858580      0.958801     -0.105614
  H      -7.884799     -2.464293      0.250161
  H      -8.169083     -4.407280      1.792945
  H      -6.516536     -4.799556      3.620878
  H      -4.609771     -3.262635      3.935323
  H      -5.173381      4.874768      5.670784
  H      -4.181604      5.746572      6.854460
  H      -4.782078      7.269497      5.177347
  H      -3.046251      6.956520      4.934882
  H      -7.125029      5.718476      1.691112
  H      -3.411262      4.916658     -0.855446
  H      -0.952617      4.807429     -0.395521
  H      -0.083368      5.371209      1.870787
  H      -1.639452      6.010439      3.681522
  H      -7.173187      1.546783      6.275673
  H      -6.753524      2.707580      4.997546
  H      -5.424814      0.650459      3.990412
  H      -6.545768     -0.329629      4.943066
  H      -7.948035      3.007841      0.955310
  H     -10.931780     -0.483853      0.697554
  H     -11.363753     -2.538695      2.066057
  H     -10.017699     -2.972920      4.114060
  H      -8.186973     -1.456398      4.750873
  N      -4.032651      2.647875      3.451374
  N      -4.622630      2.881286      2.322305
  H      -4.050975      3.000216      1.486340
  H      -5.651257      2.648892      2.275533
90
Coordinates from ORCA-job orca E -6141.203046425463
  N      -2.280305      0.827516      4.838656
  Mo     -3.498638      2.374495      5.133928
  N      -5.137188      1.918842      6.126180
  C      -5.077381      1.904791      7.581416
  C      -3.724883      1.349197      8.010802
  N      -2.649247      2.060592      7.275680
  C      -1.432964      1.233291      7.095875
  C      -1.643922      0.201729      5.995558
  C      -2.332832      3.387120      7.872906
  C      -2.104550      4.395861      6.738660
  N      -3.173895      4.296139      5.759356
  H      -0.654965     -0.208944      5.715712
  H      -2.236755     -0.658238      6.370646
  H      -0.629904      1.914795      6.780138
  H      -1.129366      0.758855      8.047619
  H      -2.032053      5.414788      7.160396
  H      -1.125943      4.186626      6.268696
  H      -3.186959      3.705307      8.486650
  H      -1.451629      3.302170      8.533811
  H      -5.878567      1.275421      8.008382
  H      -5.218621      2.923695      7.997078
  H      -3.678269      0.288155      7.727555
  H      -3.573347      1.424293      9.102726
  C      -2.052078      0.112128      3.583860
  C      -2.981032     -1.111810      3.397070
  C      -4.041365     -0.976159      2.325663
  N      -3.957279      0.031592      1.469533
  C      -4.939637      0.156198      0.538090
  N      -5.971480     -0.637890      0.342547
  C      -6.068630     -1.708731      1.190404
  C      -7.148008     -2.609235      1.032661
  C      -7.283550     -3.686346      1.886167
  C      -6.346145     -3.901703      2.919925
  C      -5.282315     -3.035122      3.095961
  C      -5.115349     -1.922745      2.235053
  C      -4.188105      5.323641      5.809337
  C      -4.021348      6.515171      4.814630
  C      -4.353596      6.149085      3.402394
  N      -5.652687      6.101238      3.100965
  C      -5.988004      5.788833      1.824723
  N      -5.181210      5.542189      0.809001
  C      -3.846991      5.518696      1.111114
  C      -2.926045      5.121487      0.111476
  C      -1.579020      5.027920      0.401911
  C      -1.100506      5.341412      1.694811
  C      -1.975916      5.732693      2.688150
  C      -3.366241      5.820420      2.425365
  C      -6.452775      1.741746      5.515912
  C      -6.450527      0.617707      4.451244
  C      -7.468268      0.802093      3.370442
  N      -7.315203      1.890977      2.593570
  C      -8.189200      2.084032      1.581804
  N      -9.187580      1.298876      1.222975
  C      -9.366547      0.172048      1.985034
  C     -10.392052     -0.735619      1.638314
  C     -10.618957     -1.866976      2.406049
  C      -9.839573     -2.117603      3.552554
  C      -8.814024     -1.258100      3.904368
  C      -8.537416     -0.106936      3.123958
  H      -2.219002      0.804064      2.750564
  H      -0.999031     -0.223554      3.540412
  H      -3.487322     -1.316054      4.354164
  H      -2.394246     -2.020317      3.176773
  H      -4.848422      1.019493     -0.129495
  H      -7.868928     -2.408174      0.239780
  H      -8.135567     -4.359241      1.774967
  H      -6.468444     -4.754790      3.589558
  H      -4.565571     -3.212813      3.898623
  H      -5.186597      4.895351      5.623880
  H      -4.212735      5.764062      6.824318
  H      -4.742505      7.286724      5.122970
  H      -3.010081      6.932390      4.909759
  H      -7.063339      5.736582      1.617219
  H      -3.326653      4.860728     -0.868634
  H      -0.877206      4.705640     -0.369339
  H      -0.033421      5.262736      1.908719
  H      -1.604886      5.941487      3.691216
  H      -7.192061      1.500147      6.298655
  H      -6.781956      2.677545      5.033091
  H      -5.453998      0.648054      3.984490
  H      -6.547935     -0.359024      4.940596
  H      -8.026588      2.998178      0.996867
  H     -10.992694     -0.512266      0.755315
  H     -11.400628     -2.573367      2.122282
  H     -10.033934     -3.005202      4.157086
  H      -8.202640     -1.479652      4.779001
  N      -4.092265      2.668599      3.477809
  N      -4.721405      2.898746      2.369028
  H      -4.173306      3.016131      1.516864
  H      -5.739594      2.615534      2.337648
90
Coordinates from ORCA-job orca E -6141.204738255818
  N      -2.272157      0.887587      4.816293
  Mo     -3.539581      2.389282      5.147028
  N      -5.160390      1.879881      6.140910
  C      -5.094440      1.845431      7.596918
  C      -3.726218      1.319173      8.012048
  N      -2.672505      2.061830      7.276116
  C      -1.438802      1.262675      7.082309
  C      -1.631632      0.247838      5.963067
  C      -2.382358      3.389885      7.883112
  C      -2.143731      4.401606      6.755477
  N      -3.199764      4.299646      5.760149
  H      -0.636821     -0.144691      5.677748
  H      -2.214894     -0.625618      6.321632
  H      -0.649133      1.965121      6.779311
  H      -1.127091      0.778404      8.026186
  H      -2.081858      5.420873      7.177420
  H      -1.158733      4.196733      6.297086
  H      -3.253222      3.696577      8.478935
  H      -1.514240      3.313939      8.562536
  H      -5.876678      1.187838      8.016498
  H      -5.263485      2.853511      8.027881
  H      -3.655921      0.262591      7.716956
  H      -3.567960      1.385570      9.103506
  C      -2.044848      0.191830      3.551245
  C      -2.954692     -1.044503      3.351398
  C      -4.025882     -0.909812      2.290793
  N      -3.954563      0.101578      1.437606
  C      -4.944201      0.222565      0.513760
  N      -5.974742     -0.575543      0.325351
  C      -6.059571     -1.649116      1.170619
  C      -7.137022     -2.553976      1.021015
  C      -7.256770     -3.636675      1.869706
  C      -6.306421     -3.853046      2.891442
  C      -5.245650     -2.981386      3.061044
  C      -5.094383     -1.862939      2.204761
  C      -4.203810      5.341224      5.776726
  C      -3.991178      6.518687      4.776675
  C      -4.298842      6.142201      3.361122
  N      -5.590789      6.110236      3.030908
  C      -5.902518      5.785274      1.751801
  N      -5.076759      5.519132      0.756619
  C      -3.749644      5.480793      1.088316
  C      -2.812692      5.060050      0.113821
  C      -1.474311      4.948791      0.435795
  C      -1.020514      5.266329      1.736772
  C      -1.911987      5.679638      2.706551
  C      -3.294368      5.786930      2.410816
  C      -6.480743      1.699372      5.539039
  C      -6.477328      0.586219      4.463843
  C      -7.516904      0.768669      3.403004
  N      -7.385705      1.867057      2.633858
  C      -8.275140      2.061539      1.636912
  N      -9.272455      1.270895      1.285915
  C      -9.430944      0.135822      2.041590
  C     -10.453527     -0.777751      1.702741
  C     -10.660230     -1.917490      2.464855
  C      -9.862694     -2.170338      3.598280
  C      -8.839253     -1.304782      3.942171
  C      -8.582568     -0.145824      3.166270
  H      -2.226604      0.893109      2.728616
  H      -0.986611     -0.126199      3.496598
  H      -3.447972     -1.277099      4.308597
  H      -2.352676     -1.937076      3.107837
  H      -4.861487      1.086506     -0.154350
  H      -7.867565     -2.353078      0.236865
  H      -8.105712     -4.314216      1.763557
  H      -6.416375     -4.710748      3.557385
  H      -4.519488     -3.159667      3.855020
  H      -5.201866      4.923074      5.569097
  H      -4.249274      5.787680      6.788164
  H      -4.702153      7.309163      5.060184
  H      -2.973419      6.915370      4.888740
  H      -6.974051      5.738182      1.522427
  H      -3.196122      4.796509     -0.872234
  H      -0.760208      4.608581     -0.316304
  H       0.040015      5.172433      1.975957
  H      -1.560992      5.891078      3.716345
  H      -7.212775      1.445858      6.324734
  H      -6.820082      2.636806      5.066934
  H      -5.489353      0.636603      3.980768
  H      -6.551475     -0.397650      4.943094
  H      -8.128591      2.982926      1.058112
  H     -11.069389     -0.552304      0.830741
  H     -11.441788     -2.626835      2.187988
  H     -10.042688     -3.063162      4.199668
  H      -8.212991     -1.526405      4.806328
  N      -4.155453      2.698070      3.498998
  N      -4.819066      2.928044      2.410585
  H      -4.292079      3.045827      1.544018
  H      -5.830256      2.610735      2.392915
90
Coordinates from ORCA-job orca E -6141.206331107423
  N      -2.266221      0.956388      4.792252
  Mo     -3.584532      2.407671      5.162260
  N      -5.181729      1.839397      6.162580
  C      -5.103994      1.781150      7.618264
  C      -3.717325      1.291150      8.013757
  N      -2.692133      2.070743      7.275534
  C      -1.438562      1.306696      7.063357
  C      -1.612470      0.308111      5.926377
  C      -2.432933      3.401427      7.891502
  C      -2.192347      4.418031      6.770417
  N      -3.237182      4.309426      5.762516
  H      -0.610974     -0.060153      5.632079
  H      -2.178204     -0.582254      6.271483
  H      -0.667681      2.033832      6.770571
  H      -1.112369      0.814671      7.998086
  H      -2.145042      5.437564      7.193171
  H      -1.200918      4.223272      6.321408
  H      -3.319541      3.691212      8.472338
  H      -1.575743      3.337599      8.586245
  H      -5.862268      1.091190      8.029934
  H      -5.303455      2.774622      8.069138
  H      -3.617451      0.240706      7.705350
  H      -3.549365      1.349483      9.104247
  C      -2.037534      0.284517      3.515575
  C      -2.923075     -0.966819      3.300621
  C      -4.008680     -0.831453      2.254864
  N      -3.955457      0.189330      1.411560
  C      -4.955264      0.310506      0.498634
  N      -5.982254     -0.493330      0.314366
  C      -6.049931     -1.575111      1.150325
  C      -7.123668     -2.485696      1.005940
  C      -7.223758     -3.578659      1.843596
  C      -6.257665     -3.800240      2.849575
  C      -5.201167     -2.922636      3.015222
  C      -5.069915     -1.792944      2.170167
  C      -4.229371      5.364369      5.740429
  C      -3.967205      6.521855      4.731086
  C      -4.249378      6.126743      3.315049
  N      -5.531660      6.123075      2.950393
  C      -5.818646      5.779837      1.669990
  N      -4.973417      5.477883      0.701658
  C      -3.656629      5.411046      1.069581
  C      -2.705582      4.949601      0.127942
  C      -1.380222      4.806743      0.488903
  C      -0.953547      5.131393      1.797442
  C      -1.859430      5.584054      2.735946
  C      -3.229305      5.725716      2.399507
  C      -6.507326      1.652225      5.571310
  C      -6.502640      0.555974      4.480578
  C      -7.564671      0.742006      3.442261
  N      -7.457181      1.855241      2.689503
  C      -8.364008      2.057448      1.710671
  N      -9.359668      1.262578      1.362689
  C      -9.494470      0.112788      2.102248
  C     -10.511942     -0.806299      1.764174
  C     -10.693782     -1.961964      2.509742
  C      -9.875891     -2.224631      3.626195
  C      -8.856994     -1.353138      3.969197
  C      -8.624620     -0.178637      3.208716
  H      -2.240247      0.994605      2.705253
  H      -0.973066     -0.009586      3.447135
  H      -3.399266     -1.232762      4.257668
  H      -2.304811     -1.840257      3.029373
  H      -4.885235      1.180488     -0.163248
  H      -7.866333     -2.281637      0.233967
  H      -8.069139     -4.261346      1.741513
  H      -6.352295     -4.666479      3.506824
  H      -4.463266     -3.104617      3.797431
  H      -5.226244      4.955620      5.511355
  H      -4.297220      5.822368      6.745408
  H      -4.664178      7.334791      4.984619
  H      -2.942832      6.895610      4.860429
  H      -6.885229      5.747982      1.415044
  H      -3.069639      4.681050     -0.864039
  H      -0.655336      4.435170     -0.237683
  H       0.096985      5.011530      2.067406
  H      -1.530991      5.800935      3.752209
  H      -7.229007      1.381956      6.360950
  H      -6.861024      2.591729      5.114475
  H      -5.524482      0.629832      3.980889
  H      -6.552308     -0.437686      4.942696
  H      -8.235947      2.990338      1.145053
  H     -11.144391     -0.573091      0.906130
  H     -11.472569     -2.674616      2.233472
  H     -10.037482     -3.129043      4.215541
  H      -8.214199     -1.581153      4.819583
  N      -4.226596      2.725929      3.524152
  N      -4.924485      2.951019      2.456309
  H      -4.418260      3.069086      1.576703
  H      -5.926321      2.596380      2.454512
90
Coordinates from ORCA-job orca E -6141.207790887663
  N      -2.264835      1.017769      4.770744
  Mo     -3.624949      2.422898      5.176595
  N      -5.200275      1.803414      6.182646
  C      -5.110686      1.721877      7.636900
  C      -3.708392      1.264364      8.013800
  N      -2.709869      2.077050      7.274970
  C      -1.439717      1.345433      7.045262
  C      -1.597604      0.362647      5.892543
  C      -2.478548      3.408773      7.899967
  C      -2.236910      4.432134      6.786846
  N      -3.271313      4.318241      5.767943
  H      -0.590522      0.016979      5.589913
  H      -2.146153     -0.543102      6.225400
  H      -0.686241      2.094172      6.762069
  H      -1.099539      0.845699      7.970704
  H      -2.203902      5.450595      7.213054
  H      -1.239319      4.248921      6.346367
  H      -3.378920      3.682051      8.467431
  H      -1.631490      3.354784      8.608049
  H      -5.846461      1.002903      8.039864
  H      -5.336061      2.700024      8.108385
  H      -3.581972      0.220811      7.691928
  H      -3.531637      1.314976      9.103326
  C      -2.033134      0.369096      3.483425
  C      -2.896589     -0.895223      3.254504
  C      -3.995331     -0.763087      2.222080
  N      -3.958527      0.261908      1.383202
  C      -4.967117      0.377838      0.478628
  N      -5.989650     -0.432819      0.301026
  C      -6.041734     -1.517767      1.133576
  C      -7.110772     -2.435220      0.996689
  C      -7.193133     -3.533194      1.829175
  C      -6.213868     -3.753451      2.822927
  C      -5.162331     -2.868827      2.981896
  C      -5.049307     -1.733230      2.142119
  C      -4.246708      5.388867      5.709333
  C      -3.937904      6.529024      4.693754
  C      -4.200080      6.120140      3.277888
  N      -5.473464      6.144550      2.886360
  C      -5.744738      5.782512      1.607461
  N      -4.887400      5.444593      0.661847
  C      -3.579660      5.352343      1.057473
  C      -2.622271      4.853078      0.142428
  C      -1.308913      4.680911      0.533266
  C      -0.900924      5.012469      1.846021
  C      -1.813721      5.502305      2.759093
  C      -3.171678      5.675831      2.391334
  C      -6.530298      1.610966      5.599768
  C      -6.526307      0.528955      4.496115
  C      -7.606099      0.718207      3.475993
  N      -7.516111      1.842930      2.736678
  C      -8.434595      2.051989      1.770949
  N      -9.429241      1.254641      1.424274
  C      -9.546777      0.093202      2.150312
  C     -10.559744     -0.829634      1.810739
  C     -10.722634     -1.998615      2.541171
  C      -9.889903     -2.269842      3.644226
  C      -8.875041     -1.394027      3.988931
  C      -8.661099     -0.206694      3.242766
  H      -2.254394      1.086665      2.684354
  H      -0.963768      0.096543      3.403386
  H      -3.356520     -1.189572      4.211014
  H      -2.264173     -1.750855      2.959653
  H      -4.908815      1.250139     -0.181316
  H      -7.863525     -2.232899      0.234055
  H      -8.034387     -4.221890      1.733310
  H      -6.294609     -4.624200      3.476001
  H      -4.414500     -3.049553      3.754858
  H      -5.243032      4.991929      5.459887
  H      -4.333551      5.857564      6.707886
  H      -4.619182      7.362507      4.921595
  H      -2.907645      6.879852      4.839766
  H      -6.807427      5.764027      1.334665
  H      -2.973023      4.579375     -0.852799
  H      -0.579111      4.279907     -0.172430
  H       0.140223      4.868483      2.139468
  H      -1.501048      5.724690      3.779079
  H      -7.243640      1.327517      6.392383
  H      -6.894968      2.552237      5.155845
  H      -5.556582      0.621606      3.983232
  H      -6.556751     -0.472492      4.943016
  H      -8.317663      2.992764      1.214889
  H     -11.204165     -0.589719      0.963542
  H     -11.498609     -2.713584      2.263311
  H     -10.037375     -3.183914      4.222364
  H      -8.220242     -1.628067      4.828580
  N      -4.289214      2.749450      3.546712
  N      -5.012982      2.968989      2.495707
  H      -4.522020      3.083891      1.606495
  H      -6.008987      2.589915      2.509012
90
Coordinates from ORCA-job orca E -6141.209164536095
  N      -2.264559      1.074441      4.753010
  Mo     -3.660570      2.435714      5.191404
  N      -5.216199      1.770785      6.201727
  C      -5.115484      1.666284      7.653383
  C      -3.700137      1.237539      8.013639
  N      -2.726468      2.080587      7.276325
  C      -1.441736      1.379960      7.030653
  C      -1.584525      0.413002      5.863016
  C      -2.522108      3.411926      7.911306
  C      -2.279421      4.445008      6.808743
  N      -3.303150      4.326521      5.778808
  H      -0.572365      0.089010      5.553494
  H      -2.116344     -0.507304      6.183199
  H      -0.704641      2.148358      6.757664
  H      -1.088601      0.872233      7.946751
  H      -2.262622      5.460552      7.242137
  H      -1.275007      4.276716      6.377272
  H      -3.436013      3.668357      8.464930
  H      -1.685809      3.365874      8.632725
  H      -5.830295      0.921127      8.046711
  H      -5.363247      2.628902      8.145391
  H      -3.550079      0.201289      7.678499
  H      -3.515916      1.280836      9.102274
  C      -2.028826      0.448488      3.455685
  C      -2.870210     -0.828056      3.213753
  C      -3.980059     -0.700145      2.192849
  N      -3.956181      0.326521      1.355835
  C      -4.971420      0.436418      0.457036
  N      -5.990389     -0.379457      0.286690
  C      -6.030654     -1.464844      1.119155
  C      -7.096463     -2.387255      0.990060
  C      -7.165179     -3.487407      1.820251
  C      -6.175482     -3.705090      2.804547
  C      -5.127562     -2.815390      2.956237
  C      -5.028537     -1.676990      2.118666
  C      -4.256617      5.414115      5.682829
  C      -3.902812      6.536419      4.661223
  C      -4.153481      6.116036      3.246591
  N      -5.419392      6.172168      2.835934
  C      -5.684722      5.790635      1.561353
  N      -4.823964      5.412756      0.633813
  C      -3.523524      5.294034      1.048317
  C      -2.566983      4.758864      0.152850
  C      -1.264130      4.557758      0.564619
  C      -0.865958      4.895440      1.878623
  C      -1.777898      5.421930      2.772241
  C      -3.125265      5.626955      2.382860
  C      -6.550214      1.576057      5.626223
  C      -6.548621      0.504769      4.513146
  C      -7.640322      0.696514      3.505569
  N      -7.562561      1.829989      2.776740
  C      -8.487266      2.043772      1.818613
  N      -9.481234      1.245345      1.471930
  C      -9.587244      0.075295      2.187365
  C     -10.597366     -0.849026      1.845592
  C     -10.747134     -2.028681      2.562919
  C      -9.903182     -2.308230      3.654855
  C      -8.891065     -1.429903      4.002528
  C      -8.690625     -0.231826      3.269506
  H      -2.267676      1.172152      2.667116
  H      -0.955304      0.196714      3.365867
  H      -3.314378     -1.147627      4.169351
  H      -2.224885     -1.666575      2.897882
  H      -4.922196      1.309519     -0.202682
  H      -7.857163     -2.187472      0.234651
  H      -8.003135     -4.180929      1.730789
  H      -6.245565     -4.578123      3.455746
  H      -4.371868     -2.994047      3.721964
  H      -5.252457      5.030367      5.413171
  H      -4.360431      5.894784      6.673975
  H      -4.565971      7.389626      4.867641
  H      -2.866564      6.863222      4.820820
  H      -6.744445      5.791647      1.276961
  H      -2.910030      4.481917     -0.844352
  H      -0.535089      4.128870     -0.125270
  H       0.166938      4.728104      2.188355
  H      -1.473013      5.650822      3.793112
  H      -7.257081      1.283344      6.421317
  H      -6.921997      2.519274      5.192769
  H      -5.585028      0.610205      3.990860
  H      -6.566018     -0.502130      4.948351
  H      -8.375884      2.989027      1.268782
  H     -11.250499     -0.602752      1.006945
  H     -11.521879     -2.744120      2.282981
  H     -10.040397     -3.230186      4.223058
  H      -8.227787     -1.669866      4.833930
  N      -4.344064      2.769113      3.570513
  N      -5.086948      2.982339      2.531901
  H      -4.606314      3.092841      1.636674
  H      -6.078841      2.583691      2.556408
90
Coordinates from ORCA-job orca E -6141.210584167745
  N      -2.263346      1.128652      4.739004
  Mo     -3.691482      2.446227      5.206528
  N      -5.229346      1.739774      6.219164
  C      -5.118807      1.613189      7.667539
  C      -3.692265      1.211050      8.013964
  N      -2.741731      2.082255      7.279749
  C      -1.444081      1.411394      7.020140
  C      -1.572063      0.460565      5.837949
  C      -2.563846      3.411965      7.925308
  C      -2.321367      4.457485      6.835496
  N      -3.334666      4.334214      5.794795
  H      -0.555022      0.157619      5.523196
  H      -2.088071     -0.473543      6.144031
  H      -0.722235      2.197690      6.758112
  H      -1.079225      0.895397      7.926936
  H      -2.323401      5.468308      7.279353
  H      -1.309700      4.307887      6.413376
  H      -3.490800      3.651335      8.464845
  H      -1.738322      3.372644      8.659482
  H      -5.813644      0.844119      8.050884
  H      -5.387047      2.560374      8.178785
  H      -3.521266      0.182130      7.666521
  H      -3.502124      1.247599      9.101842
  C      -2.021116      0.525797      3.432098
  C      -2.842537     -0.760842      3.176203
  C      -3.960972     -0.636461      2.164302
  N      -3.945862      0.389550      1.326902
  C      -4.966306      0.494382      0.432270
  N      -5.983937     -0.323786      0.270116
  C      -6.016427     -1.407496      1.105020
  C      -7.081679     -2.331833      0.984480
  C      -7.141016     -3.431872      1.814699
  C      -6.142581     -3.647625      2.791123
  C      -5.095984     -2.755916      2.934629
  C      -5.006512     -1.617061      2.096824
  C      -4.262386      5.438971      5.660508
  C      -3.864838      6.541010      4.631676
  C      -4.109234      6.109606      3.218800
  N      -5.368702      6.199426      2.793804
  C      -5.634259      5.800366      1.524791
  N      -4.776513      5.380348      0.612391
  C      -3.482568      5.234046      1.040132
  C      -2.532399      4.663265      0.159875
  C      -1.239085      4.432547      0.586704
  C      -0.844471      4.775754      1.900064
  C      -1.749646      5.339506      2.778057
  C      -3.087441      5.575813      2.373663
  C      -6.566846      1.544260      5.649899
  C      -6.568826      0.480135      4.530230
  C      -7.668072      0.672768      3.530591
  N      -7.599228      1.812816      2.808967
  C      -8.526835      2.029124      1.854680
  N      -9.520805      1.230634      1.508376
  C      -9.619537      0.054821      2.216711
  C     -10.629454     -0.868678      1.874477
  C     -10.771192     -2.056112      2.581936
  C      -9.917697     -2.343538      3.663814
  C      -8.905796     -1.464715      4.013052
  C      -8.714680     -0.258320      3.290787
  H      -2.273896      1.255860      2.653896
  H      -0.944127      0.292526      3.335663
  H      -3.272765     -1.102557      4.130127
  H      -2.186032     -1.583429      2.841461
  H      -4.922749      1.366652     -0.229066
  H      -7.848927     -2.133885      0.235209
  H      -7.977266     -4.128173      1.732108
  H      -6.205457     -4.521166      3.442348
  H      -4.333993     -2.933007      3.694451
  H      -5.257902      5.069416      5.371225
  H      -4.380560      5.934033      6.642769
  H      -4.509073      7.412744      4.818689
  H      -2.822975      6.843646      4.802871
  H      -6.691260      5.825039      1.232116
  H      -2.871518      4.384700     -0.838519
  H      -0.515124      3.976205     -0.090802
  H       0.180743      4.584851      2.221580
  H      -1.446488      5.575725      3.797769
  H      -7.268763      1.245008      6.446953
  H      -6.943018      2.489397      5.224941
  H      -5.609294      0.593297      4.001228
  H      -6.577844     -0.529989      4.958181
  H      -8.417256      2.976222      1.307777
  H     -11.289699     -0.616307      1.043213
  H     -11.547573     -2.769721      2.301762
  H     -10.047898     -3.271206      4.224515
  H      -8.236267     -1.710291      4.837863
  N      -4.395140      2.784480      3.595967
  N      -5.152204      2.990104      2.566533
  H      -4.678510      3.094709      1.666804
  H      -6.141675      2.575541      2.600364
90
Coordinates from ORCA-job orca E -6141.211704357685
  N      -2.268045      1.167708      4.728106
  Mo     -3.715997      2.455611      5.216823
  N      -5.241150      1.720108      6.230154
  C      -5.122837      1.575322      7.675507
  C      -3.688570      1.191281      8.011517
  N      -2.754509      2.082573      7.280536
  C      -1.448703      1.432719      7.010532
  C      -1.567804      0.494536      5.817977
  C      -2.594021      3.409558      7.935072
  C      -2.350810      4.465294      6.856144
  N      -3.357231      4.340245      5.808391
  H      -0.548021      0.206209      5.498552
  H      -2.072715     -0.448846      6.114009
  H      -0.737310      2.230962      6.756764
  H      -1.075517      0.909878      7.909897
  H      -2.365877      5.471644      7.309066
  H      -1.334452      4.329169      6.440272
  H      -3.529825      3.637352      8.464297
  H      -1.776470      3.373065      8.678193
  H      -5.803381      0.789426      8.050522
  H      -5.404622      2.510356      8.201861
  H      -3.503702      0.168268      7.654070
  H      -3.494026      1.221796      9.098749
  C      -2.020208      0.583074      3.414203
  C      -2.822178     -0.714375      3.151216
  C      -3.949578     -0.602936      2.148034
  N      -3.953395      0.422341      1.310145
  C      -4.980320      0.511599      0.420336
  N      -5.987981     -0.319453      0.266139
  C      -6.001357     -1.401963      1.102978
  C      -7.054498     -2.340992      0.989128
  C      -7.091364     -3.442794      1.817712
  C      -6.083209     -3.644739      2.787370
  C      -5.049413     -2.738137      2.924906
  C      -4.982094     -1.597642      2.087528
  C      -4.261804      5.459897      5.648344
  C      -3.829486      6.547091      4.616804
  C      -4.071964      6.111212      3.204626
  N      -5.326117      6.232531      2.771085
  C      -5.596179      5.826468      1.505627
  N      -4.745146      5.374870      0.601947
  C      -3.456338      5.202323      1.036547
  C      -2.514931      4.608240      0.162528
  C      -1.228833      4.350889      0.596444
  C      -0.833148      4.690563      1.910108
  C      -1.729102      5.279613      2.781200
  C      -3.059513      5.543862      2.369887
  C      -6.581423      1.527271      5.665144
  C      -6.587240      0.471343      4.537797
  C      -7.692608      0.668414      3.545392
  N      -7.630848      1.816907      2.834781
  C      -8.561023      2.040053      1.885149
  N      -9.556506      1.244447      1.537258
  C      -9.650396      0.061491      2.235159
  C     -10.663752     -0.856961      1.891615
  C     -10.801222     -2.052506      2.587063
  C      -9.937544     -2.353331      3.656676
  C      -8.922397     -1.478405      4.008110
  C      -8.737641     -0.262666      3.299653
  H      -2.286091      1.316430      2.643540
  H      -0.940363      0.366645      3.312164
  H      -3.237997     -1.072249      4.105223
  H      -2.154142     -1.521936      2.802841
  H      -4.951760      1.383242     -0.242585
  H      -7.829310     -2.154050      0.244921
  H      -7.915924     -4.153064      1.739044
  H      -6.128499     -4.520186      3.437327
  H      -4.279661     -2.905090      3.679046
  H      -5.257733      5.104323      5.343849
  H      -4.387851      5.964162      6.624733
  H      -4.456809      7.433357      4.791390
  H      -2.783155      6.828344      4.797195
  H      -6.650861      5.875331      1.208313
  H      -2.853505      4.335946     -0.837974
  H      -0.511611      3.876879     -0.075929
  H       0.186175      4.478771      2.237024
  H      -1.423737      5.516346      3.800038
  H      -7.280535      1.222580      6.462588
  H      -6.959212      2.475324      5.248565
  H      -5.630990      0.591731      4.003892
  H      -6.590495     -0.542234      4.957489
  H      -8.451993      2.990390      1.344122
  H     -11.331355     -0.594264      1.069568
  H     -11.583083     -2.760165      2.307184
  H     -10.063599     -3.287110      4.208102
  H      -8.246875     -1.733452      4.825087
  N      -4.433641      2.800450      3.612991
  N      -5.198381      3.002558      2.589271
  H      -4.727379      3.100381      1.687130
  H      -6.187083      2.578222      2.627850
90
Coordinates from ORCA-job orca E -6141.212815329489
  N      -2.279546      1.215701      4.710429
  Mo     -3.743551      2.472456      5.225316
  N      -5.255586      1.711127      6.240585
  C      -5.127940      1.547479      7.682726
  C      -3.686860      1.177754      8.005926
  N      -2.768870      2.087436      7.277876
  C      -1.456701      1.456463      6.994251
  C      -1.570102      0.533175      5.788912
  C      -2.622894      3.410719      7.942511
  C      -2.376767      4.475454      6.873131
  N      -3.377058      4.352580      5.817877
  H      -0.548577      0.258510      5.463062
  H      -2.065534     -0.418879      6.072783
  H      -0.754871      2.265583      6.748997
  H      -1.074520      0.925130      7.884734
  H      -2.399780      5.477942      7.333622
  H      -1.356819      4.347627      6.463052
  H      -3.566270      3.629084      8.462246
  H      -1.813009      3.375164      8.694044
  H      -5.795315      0.746742      8.050114
  H      -5.420188      2.470743      8.224089
  H      -3.491921      0.160838      7.636718
  H      -3.485847      1.199712      9.092129
  C      -2.037551      0.647352      3.388703
  C      -2.819762     -0.661005      3.121029
  C      -3.958928     -0.558984      2.130796
  N      -3.985839      0.472595      1.301204
  C      -5.020836      0.551478      0.419519
  N      -6.015801     -0.294580      0.267128
  C      -6.005037     -1.383736      1.095457
  C      -7.041815     -2.340657      0.979699
  C      -7.051048     -3.452213      1.795888
  C      -6.032914     -3.644476      2.756960
  C      -5.016135     -2.719539      2.897518
  C      -4.975666     -1.569955      2.070999
  C      -4.259363      5.485169      5.631896
  C      -3.788140      6.554468      4.599189
  C      -4.022845      6.107876      3.188699
  N      -5.268030      6.257582      2.738182
  C      -5.533590      5.841883      1.475198
  N      -4.684016      5.357845      0.587115
  C      -3.404257      5.160182      1.038133
  C      -2.465902      4.539417      0.179545
  C      -1.191261      4.256299      0.631126
  C      -0.804279      4.596334      1.947027
  C      -1.696420      5.213652      2.802340
  C      -3.015292      5.505351      2.372987
  C      -6.599245      1.520331      5.682539
  C      -6.606250      0.473636      4.546766
  C      -7.721933      0.665709      3.564895
  N      -7.678158      1.819988      2.861059
  C      -8.613884      2.036925      1.915925
  N      -9.602181      1.232319      1.568806
  C      -9.679447      0.044679      2.260817
  C     -10.685362     -0.881879      1.918432
  C     -10.806314     -2.083270      2.607316
  C      -9.931431     -2.382315      3.667988
  C      -8.923233     -1.498644      4.018568
  C      -8.756918     -0.275726      3.318002
  H      -2.321839      1.383906      2.627752
  H      -0.955612      0.448665      3.274064
  H      -3.216764     -1.037939      4.075472
  H      -2.141059     -1.451548      2.754751
  H      -5.010985      1.428083     -0.237461
  H      -7.824814     -2.161308      0.242277
  H      -7.860671     -4.178866      1.714138
  H      -6.056700     -4.527686      3.397400
  H      -4.237920     -2.880104      3.644215
  H      -5.254460      5.143305      5.309858
  H      -4.395852      5.999008      6.601680
  H      -4.397987      7.455797      4.756872
  H      -2.738424      6.814356      4.791838
  H      -6.582833      5.914867      1.164934
  H      -2.796455      4.270363     -0.824646
  H      -0.476601      3.761982     -0.029136
  H       0.205815      4.363772      2.288043
  H      -1.396815      5.453129      3.822233
  H      -7.293402      1.206611      6.480801
  H      -6.981395      2.470924      5.276264
  H      -5.656162      0.608036      4.005078
  H      -6.594773     -0.543202      4.958400
  H      -8.515920      2.989559      1.377466
  H     -11.361608     -0.620639      1.103070
  H     -11.584805     -2.795533      2.329612
  H     -10.043921     -3.320713      4.214428
  H      -8.239581     -1.751800      4.829333
  N      -4.479412      2.826507      3.631197
  N      -5.258019      3.028010      2.617877
  H      -4.797513      3.123484      1.710122
  H      -6.249707      2.605784      2.669131
90
Coordinates from ORCA-job orca E -6141.211448744221
  N      -2.172554      1.254336      4.714507
  Mo     -3.707240      2.429434      5.201612
  N      -5.207246      1.591311      6.168190
  C      -5.105025      1.436189      7.616200
  C      -3.657353      1.129159      7.976371
  N      -2.759978      2.077631      7.270647
  C      -1.418942      1.500205      7.020103
  C      -1.470462      0.584455      5.807944
  C      -2.673604      3.404555      7.936967
  C      -2.434657      4.473321      6.869320
  N      -3.412224      4.313602      5.794828
  H      -0.431656      0.351006      5.506098
  H      -1.939853     -0.388242      6.066864
  H      -0.740031      2.334790      6.793706
  H      -1.040539      0.980755      7.918814
  H      -2.501942      5.475571      7.324688
  H      -1.402407      4.377953      6.481895
  H      -3.634735      3.595569      8.434440
  H      -1.879264      3.396524      8.705881
  H      -5.742768      0.605753      7.968784
  H      -5.454603      2.345236      8.147028
  H      -3.415707      0.120324      7.611902
  H      -3.481580      1.156809      9.066490
  C      -1.870568      0.701812      3.400077
  C      -2.673852     -0.583891      3.156067
  C      -3.788071     -0.408852      2.145496
  N      -3.710092      0.591283      1.273172
  C      -4.722897      0.730758      0.377648
  N      -5.802875     -0.010197      0.254988
  C      -5.898460     -1.061123      1.129716
  C      -7.028473     -1.908768      1.058906
  C      -7.147642     -2.971418      1.922924
  C      -6.142549     -3.233073      2.888046
  C      -5.037626     -2.421818      2.982739
  C      -4.887913     -1.315942      2.109452
  C      -4.320096      5.427818      5.593873
  C      -3.846441      6.496902      4.569651
  C      -4.068347      6.032407      3.163906
  N      -5.315844      6.178407      2.711625
  C      -5.580102      5.754337      1.452945
  N      -4.732009      5.259648      0.570493
  C      -3.453535      5.062971      1.025745
  C      -2.520480      4.429480      0.174620
  C      -1.243221      4.146455      0.624621
  C      -0.851892      4.502889      1.935558
  C      -1.740498      5.133902      2.786399
  C      -3.061535      5.422902      2.356788
  C      -6.532204      1.339620      5.576530
  C      -6.551122      0.250184      4.462904
  C      -7.683108      0.451425      3.503571
  N      -7.583264      1.590331      2.770498
  C      -8.531271      1.854764      1.845071
  N      -9.585853      1.127006      1.549411
  C      -9.730932     -0.043347      2.271114
  C     -10.824825     -0.877069      1.986316
  C     -11.029869     -2.055598      2.701415
  C     -10.141769     -2.417796      3.729102
  C      -9.041469     -1.623171      4.026952
  C      -8.793232     -0.423805      3.301133
  H      -2.137937      1.432190      2.626552
  H      -0.785192      0.507070      3.312708
  H      -3.097563     -0.912688      4.114308
  H      -2.031228     -1.421064      2.814560
  H      -4.622227      1.573635     -0.316032
  H      -7.796645     -1.679378      0.318994
  H      -8.027953     -3.613769      1.875705
  H      -6.253819     -4.081670      3.565776
  H      -4.276145     -2.630160      3.735315
  H      -5.305686      5.072680      5.255675
  H      -4.476342      5.936542      6.562539
  H      -4.466572      7.394270      4.712894
  H      -2.801318      6.767111      4.774414
  H      -6.627675      5.834068      1.136990
  H      -2.861620      4.151170     -0.821937
  H      -0.532883      3.641046     -0.032382
  H       0.158693      4.272100      2.277861
  H      -1.436366      5.385781      3.802633
  H      -7.230338      1.027572      6.370997
  H      -6.923369      2.277252      5.149657
  H      -5.600905      0.339069      3.894302
  H      -6.556961     -0.750257      4.913188
  H      -8.380722      2.786567      1.283013
  H     -11.508302     -0.564461      1.194686
  H     -11.885647     -2.692348      2.469864
  H     -10.316570     -3.334241      4.297770
  H      -8.355585     -1.923029      4.820238
  N      -4.495262      2.733399      3.632349
  N      -5.306044      2.885689      2.642483
  H      -4.876005      2.999851      1.709645
  H      -6.281318      2.409763      2.722134
90
Coordinates from ORCA-job orca E -6141.212747402613
  N      -2.182050      1.313091      4.694783
  Mo     -3.736222      2.449604      5.209079
  N      -5.218703      1.578005      6.174599
  C      -5.105483      1.401751      7.619116
  C      -3.650492      1.114820      7.966703
  N      -2.773613      2.085535      7.265654
  C      -1.424842      1.532885      7.001732
  C      -1.467818      0.635052      5.775639
  C      -2.706521      3.407237      7.943823
  C      -2.467735      4.487653      6.888056
  N      -3.438051      4.328712      5.805389
  H      -0.426975      0.419993      5.467348
  H      -1.923323     -0.347836      6.020536
  H      -0.759064      2.380576      6.785715
  H      -1.035644      1.005400      7.890999
  H      -2.547368      5.484604      7.352361
  H      -1.431691      4.405391      6.507300
  H      -3.675645      3.584704      8.430750
  H      -1.920926      3.400561      8.721704
  H      -5.725529      0.553762      7.961473
  H      -5.469231      2.295064      8.166967
  H      -3.394418      0.114321      7.589405
  H      -3.468081      1.133675      9.055855
  C      -1.881198      0.782155      3.371552
  C      -2.662146     -0.515388      3.121909
  C      -3.788722     -0.347768      2.124008
  N      -3.732429      0.660135      1.258622
  C      -4.753418      0.789999      0.370851
  N      -5.823117      0.034233      0.251323
  C      -5.896384     -1.024035      1.119590
  C      -7.013092     -1.889204      1.049808
  C      -7.107489     -2.961749      1.904192
  C      -6.091348     -3.214816      2.860310
  C      -5.000166     -2.386053      2.954794
  C      -4.874991     -1.270560      2.089918
  C      -4.318999      5.458503      5.575206
  C      -3.800090      6.505867      4.551006
  C      -4.015705      6.027879      3.148718
  N      -5.251868      6.209025      2.677659
  C      -5.515787      5.768959      1.424848
  N      -4.674901      5.228367      0.562739
  C      -3.408211      4.999828      1.036427
  C      -2.486290      4.323436      0.207017
  C      -1.224031      4.006866      0.677069
  C      -0.837242      4.371470      1.986926
  C      -1.714534      5.045606      2.816353
  C      -3.020191      5.370544      2.365794
  C      -6.546069      1.323443      5.588305
  C      -6.566176      0.242382      4.466038
  C      -7.710296      0.440458      3.520569
  N      -7.626778      1.587709      2.796819
  C      -8.582296      1.850989      1.879048
  N      -9.633194      1.117717      1.585583
  C      -9.763344     -0.060370      2.298552
  C     -10.853579     -0.898593      2.015759
  C     -11.044136     -2.086293      2.720555
  C     -10.142848     -2.453243      3.734615
  C      -9.045539     -1.653188      4.031086
  C      -8.813573     -0.443224      3.317015
  H      -2.168272      1.515585      2.608026
  H      -0.793169      0.609033      3.273046
  H      -3.067899     -0.863565      4.080772
  H      -2.008029     -1.336370      2.762593
  H      -4.670033      1.638984     -0.317753
  H      -7.790164     -1.666681      0.317103
  H      -7.975758     -3.620030      1.856650
  H      -6.183316     -4.071558      3.530629
  H      -4.229772     -2.588626      3.699791
  H      -5.303296      5.119816      5.217386
  H      -4.486089      5.978213      6.536006
  H      -4.397679      7.421167      4.674476
  H      -2.751433      6.750198      4.769935
  H      -6.556412      5.877270      1.095220
  H      -2.823605      4.041486     -0.789752
  H      -0.522600      3.468487      0.036956
  H       0.161043      4.113473      2.345527
  H      -1.413502      5.305159      3.831598
  H      -7.238118      1.000784      6.383801
  H      -6.943997      2.262774      5.171965
  H      -5.623060      0.344636      3.886968
  H      -6.556725     -0.761657      4.908173
  H      -8.441400      2.786872      1.321557
  H     -11.546977     -0.582410      1.234238
  H     -11.899326     -2.724931      2.491702
  H     -10.305374     -3.376937      4.295209
  H      -8.350098     -1.956317      4.814797
  N      -4.544451      2.759762      3.651721
  N      -5.368351      2.907697      2.672330
  H      -4.947246      3.024486      1.734852
  H      -6.339099      2.417002      2.758560
90
Coordinates from ORCA-job orca E -6141.214085548555
  N      -2.203056      1.346064      4.676325
  Mo     -3.761361      2.467065      5.211170
  N      -5.233153      1.580089      6.180398
  C      -5.110134      1.391140      7.622240
  C      -3.650866      1.111051      7.958118
  N      -2.784486      2.091208      7.257252
  C      -1.434171      1.548362      6.980828
  C      -1.479540      0.661495      5.746840
  C      -2.721791      3.408716      7.943452
  C      -2.483854      4.496598      6.895852
  N      -3.453824      4.341582      5.811638
  H      -0.439400      0.454011      5.430988
  H      -1.929006     -0.325738      5.985290
  H      -0.773937      2.401322      6.768984
  H      -1.037456      1.014637      7.862996
  H      -2.567266      5.489768      7.367359
  H      -1.447003      4.420531      6.515542
  H      -3.693408      3.580848      8.427383
  H      -1.938858      3.399275      8.724003
  H      -5.721124      0.534645      7.959848
  H      -5.477941      2.275962      8.181219
  H      -3.391310      0.114552      7.572743
  H      -3.461099      1.124416      9.046095
  C      -1.908898      0.827241      3.346852
  C      -2.678967     -0.476343      3.093742
  C      -3.812770     -0.313478      2.103268
  N      -3.768890      0.698313      1.241681
  C      -4.793749      0.821635      0.357331
  N      -5.856540      0.056133      0.238423
  C      -5.917310     -1.005776      1.103401
  C      -7.025896     -1.881414      1.033721
  C      -7.106437     -2.959037      1.883244
  C      -6.085022     -3.205844      2.835356
  C      -5.002208     -2.366293      2.930435
  C      -4.890753     -1.245982      2.069817
  C      -4.313038      5.484054      5.565115
  C      -3.761122      6.517888      4.544526
  C      -3.964127      6.034069      3.142063
  N      -5.189968      6.234504      2.651570
  C      -5.444016      5.787947      1.399183
  N      -4.600892      5.225272      0.553376
  C      -3.343985      4.981244      1.045346
  C      -2.419561      4.289875      0.231130
  C      -1.168399      3.958127      0.720245
  C      -0.795576      4.322042      2.034267
  C      -1.674610      5.012630      2.848317
  C      -2.968973      5.354339      2.377967
  C      -6.562439      1.321434      5.600023
  C      -6.580401      0.239680      4.478392
  C      -7.730980      0.424951      3.538161
  N      -7.662260      1.572092      2.811840
  C      -8.621204      1.821194      1.893711
  N      -9.664108      1.075294      1.603800
  C      -9.779866     -0.102431      2.320058
  C     -10.861390     -0.953092      2.041574
  C     -11.036998     -2.142026      2.748563
  C     -10.128036     -2.497864      3.759644
  C      -9.039037     -1.684783      4.052225
  C      -8.823562     -0.472339      3.337171
  H      -2.207797      1.563328      2.590519
  H      -0.820049      0.664968      3.239046
  H      -3.074146     -0.835673      4.052851
  H      -2.019059     -1.287934      2.723785
  H      -4.720086      1.673788     -0.328639
  H      -7.807355     -1.663808      0.304130
  H      -7.967353     -3.626750      1.835110
  H      -6.166216     -4.066639      3.501954
  H      -4.227458     -2.564423      3.672159
  H      -5.296361      5.158898      5.192758
  H      -4.486861      6.009705      6.521428
  H      -4.345403      7.443422      4.654222
  H      -2.711938      6.746190      4.778225
  H      -6.477790      5.911714      1.054171
  H      -2.745012      4.010846     -0.770677
  H      -0.465147      3.408180      0.092013
  H       0.193806      4.051512      2.408160
  H      -1.383342      5.273645      3.866124
  H      -7.249929      0.994852      6.397907
  H      -6.965627      2.259343      5.185881
  H      -5.641755      0.349771      3.893519
  H      -6.558487     -0.763826      4.921442
  H      -8.490618      2.755856      1.331937
  H     -11.560511     -0.645682      1.261580
  H     -11.886622     -2.789703      2.523592
  H     -10.278100     -3.422862      4.321643
  H      -8.337680     -1.979338      4.834027
  N      -4.585655      2.786181      3.664213
  N      -5.418306      2.936072      2.692666
  H      -4.998977      3.046876      1.753774
  H      -6.377944      2.420080      2.778028
90
Coordinates from ORCA-job orca E -6141.215709771876
  N      -2.230607      1.387364      4.653421
  Mo     -3.793921      2.489152      5.214098
  N      -5.249381      1.582013      6.191409
  C      -5.111124      1.378208      7.629371
  C      -3.645993      1.109173      7.948377
  N      -2.795813      2.102101      7.246021
  C      -1.443321      1.573213      6.952736
  C      -1.493152      0.697678      5.710836
  C      -2.740242      3.414959      7.941210
  C      -2.507815      4.512129      6.902974
  N      -3.478061      4.359321      5.818192
  H      -0.454488      0.499766      5.384264
  H      -1.933872     -0.294622      5.944231
  H      -0.791619      2.433294      6.743922
  H      -1.035064      1.033689      7.826022
  H      -2.597917      5.500475      7.383174
  H      -1.470349      4.446458      6.521879
  H      -3.714422      3.578412      8.423017
  H      -1.959347      3.404121      8.723744
  H      -5.709381      0.510900      7.962279
  H      -5.483474      2.252046      8.202446
  H      -3.380729      0.118149      7.553054
  H      -3.445354      1.116974      9.034449
  C      -1.946387      0.882734      3.316206
  C      -2.700921     -0.429413      3.056423
  C      -3.845063     -0.274065      2.076656
  N      -3.820275      0.745600      1.223646
  C      -4.850713      0.861224      0.344724
  N      -5.902409      0.080692      0.224264
  C      -5.943975     -0.989084      1.080797
  C      -7.039110     -1.881352      1.007255
  C      -7.098715     -2.969034      1.846081
  C      -6.069976     -3.208490      2.791807
  C      -5.000286     -2.352220      2.891153
  C      -4.909850     -1.222040      2.040907
  C      -4.310577      5.515935      5.549788
  C      -3.720086      6.531467      4.532009
  C      -3.905993      6.035704      3.131323
  N      -5.118194      6.254435      2.615158
  C      -5.359090      5.791805      1.366190
  N      -4.512829      5.197081      0.545320
  C      -3.268002      4.940720      1.061526
  C      -2.338591      4.228528      0.271075
  C      -1.100198      3.887423      0.785496
  C      -0.745642      4.261400      2.101556
  C      -1.629225      4.973173      2.892117
  C      -2.910020      5.327261      2.394984
  C      -6.581577      1.316619      5.621484
  C      -6.595780      0.237604      4.498316
  C      -7.751752      0.412239      3.562888
  N      -7.701214      1.563317      2.840993
  C      -8.665149      1.801206      1.925435
  N      -9.699498      1.042420      1.637100
  C      -9.797789     -0.138243      2.350823
  C     -10.870132     -1.001453      2.075251
  C     -11.026632     -2.195376      2.778466
  C     -10.106187     -2.544292      3.781409
  C      -9.026283     -1.718103      4.071248
  C      -8.831931     -0.499083      3.361768
  H      -2.261621      1.621695      2.569544
  H      -0.856761      0.735551      3.195838
  H      -3.081287     -0.805941      4.014965
  H      -2.032407     -1.226396      2.671194
  H      -4.792354      1.720111     -0.334345
  H      -7.826636     -1.669530      0.282539
  H      -7.948104     -3.650997      1.794324
  H      -6.134680     -4.077170      3.449910
  H      -4.219270     -2.545338      3.627611
  H      -5.291712      5.205163      5.160533
  H      -4.493029      6.050819      6.499365
  H      -4.289081      7.468412      4.622228
  H      -2.671451      6.742772      4.783618
  H      -6.383722      5.930553      1.000925
  H      -2.648201      3.943914     -0.734383
  H      -0.393064      3.321809      0.175843
  H       0.233414      3.982311      2.495776
  H      -1.351269      5.243783      3.911131
  H      -7.261363      0.983373      6.423260
  H      -6.993819      2.252406      5.211948
  H      -5.661713      0.358875      3.909175
  H      -6.560710     -0.766776      4.938617
  H      -8.547303      2.737396      1.363927
  H     -11.577611     -0.699899      1.300554
  H     -11.870212     -2.852065      2.556557
  H     -10.240354     -3.473804      4.339913
  H      -8.316188     -2.007121      4.847246
  N      -4.637034      2.815891      3.678584
  N      -5.479835      2.967369      2.715076
  H      -5.066573      3.082621      1.774311
  H      -6.434360      2.438342      2.801098
90
Coordinates from ORCA-job orca E -6141.217006658009
  N      -2.254227      1.405150      4.641051
  Mo     -3.815445      2.502517      5.216010
  N      -5.265554      1.590658      6.198115
  C      -5.120351      1.379057      7.633938
  C      -3.653373      1.109780      7.944148
  N      -2.807285      2.105480      7.240809
  C      -1.456138      1.578269      6.937839
  C      -1.512348      0.709430      5.691475
  C      -2.749638      3.415431      7.941025
  C      -2.517140      4.517157      6.908341
  N      -3.488639      4.370199      5.823689
  H      -0.475334      0.512362      5.359196
  H      -1.952546     -0.283775      5.921651
  H      -0.805507      2.439524      6.730792
  H      -1.043658      1.033801      7.806064
  H      -2.607617      5.502674      7.394403
  H      -1.479620      4.454419      6.526455
  H      -3.724076      3.577839      8.422722
  H      -1.969197      3.400365      8.723917
  H      -5.715428      0.508596      7.964358
  H      -5.491549      2.248686      8.214129
  H      -3.389455      0.120353      7.544041
  H      -3.446898      1.114330      9.029166
  C      -1.976210      0.906929      3.299898
  C      -2.727108     -0.407040      3.034262
  C      -3.875840     -0.253896      2.059287
  N      -3.860439      0.770703      1.211808
  C      -4.893595      0.883265      0.335720
  N      -5.939493      0.094881      0.212957
  C      -5.971250     -0.980145      1.063417
  C      -7.058505     -1.881767      0.985328
  C      -7.107603     -2.975763      1.817343
  C      -6.076295     -3.211586      2.760679
  C      -5.013937     -2.345915      2.864471
  C      -4.933937     -1.209782      2.020891
  C      -4.299589      5.538883      5.543057
  C      -3.682549      6.544261      4.530178
  C      -3.858612      6.050439      3.127511
  N      -5.062026      6.283659      2.597217
  C      -5.295581      5.818058      1.348010
  N      -4.448978      5.206388      0.539593
  C      -3.211413      4.940584      1.068062
  C      -2.278826      4.221580      0.287250
  C      -1.046550      3.876322      0.813267
  C      -0.701888      4.250811      2.131743
  C      -1.589001      4.968123      2.913232
  C      -2.862662      5.329350      2.403348
  C      -6.597964      1.322136      5.631245
  C      -6.606334      0.238061      4.513724
  C      -7.763039      0.397671      3.576600
  N      -7.723363      1.543983      2.846300
  C      -8.688027      1.763767      1.927029
  N      -9.714685      0.992175      1.644037
  C      -9.802615     -0.182747      2.367986
  C     -10.866496     -1.058788      2.099290
  C     -11.010572     -2.249047      2.811236
  C     -10.085445     -2.581640      3.815406
  C      -9.013918     -1.742265      4.098451
  C      -8.833362     -0.525915      3.381316
  H      -2.295729      1.649089      2.558408
  H      -0.886706      0.763445      3.174444
  H      -3.101455     -0.792572      3.991776
  H      -2.055674     -1.197303      2.641053
  H      -4.843095      1.746462     -0.338532
  H      -7.848534     -1.672502      0.262579
  H      -7.950645     -3.665323      1.762323
  H      -6.132760     -4.084915      3.413414
  H      -4.230225     -2.536836      3.598689
  H      -5.280279      5.241010      5.143148
  H      -4.485367      6.078893      6.489162
  H      -4.239568      7.489004      4.613209
  H      -2.634000      6.741082      4.793676
  H      -6.313894      5.969861      0.970872
  H      -2.579247      3.937306     -0.721323
  H      -0.336550      3.306423      0.210923
  H       0.272197      3.967513      2.535221
  H      -1.318314      5.240236      3.933800
  H      -7.276637      0.990503      6.434679
  H      -7.012110      2.255174      5.217723
  H      -5.673607      0.362323      3.923953
  H      -6.563630     -0.763683      4.959410
  H      -8.578207      2.695074      1.356310
  H     -11.577089     -0.770286      1.322459
  H     -11.847815     -2.915631      2.594548
  H     -10.208959     -3.508893      4.380056
  H      -8.299845     -2.019022      4.875304
  N      -4.668096      2.835359      3.688784
  N      -5.515009      2.989055      2.728300
  H      -5.097406      3.085436      1.787791
  H      -6.456823      2.435127      2.813005
90
Coordinates from ORCA-job orca E -6141.218188181723
  N      -2.279843      1.432710      4.626688
  Mo     -3.841518      2.520947      5.218266
  N      -5.281449      1.596939      6.204382
  C      -5.126594      1.374912      7.637692
  C      -3.656293      1.111324      7.937241
  N      -2.819448      2.114023      7.232751
  C      -1.468078      1.593224      6.918751
  C      -1.530274      0.731645      5.667810
  C      -2.763011      3.420346      7.939393
  C      -2.531998      4.527562      6.912931
  N      -3.504584      4.383592      5.828391
  H      -0.495193      0.538160      5.327658
  H      -1.967603     -0.263381      5.895020
  H      -0.821106      2.457513      6.713230
  H      -1.049265      1.044437      7.781129
  H      -2.625309      5.510090      7.404378
  H      -1.494490      4.469616      6.529980
  H      -3.738354      3.579682      8.420299
  H      -1.983498      3.402293      8.723076
  H      -5.714218      0.498049      7.964392
  H      -5.500062      2.237422      8.226830
  H      -3.390569      0.125021      7.530798
  H      -3.442485      1.112008      9.020801
  C      -2.007851      0.944727      3.280324
  C      -2.752169     -0.371953      3.006953
  C      -3.904404     -0.219784      2.035879
  N      -3.894894      0.808627      1.192428
  C      -4.928172      0.918375      0.316641
  N      -5.969678      0.124036      0.190597
  C      -5.995535     -0.954467      1.036920
  C      -7.077351     -1.862390      0.954901
  C      -7.120079     -2.960613      1.782300
  C      -6.087692     -3.194156      2.724566
  C      -5.030376     -2.322187      2.832287
  C      -4.956943     -1.181710      1.993732
  C      -4.292099      5.564586      5.531909
  C      -3.642827      6.554432      4.524188
  C      -3.806671      6.052399      3.122970
  N      -4.998415      6.301854      2.573815
  C      -5.223463      5.826928      1.326844
  N      -4.377639      5.189899      0.537231
  C      -3.149900      4.913512      1.082625
  C      -2.215167      4.180875      0.317516
  C      -0.990980      3.831033      0.859021
  C      -0.657778      4.212030      2.178532
  C      -1.547708      4.941540      2.945364
  C      -2.811963      5.310861      2.418204
  C      -6.614007      1.320632      5.642695
  C      -6.614501      0.234041      4.528268
  C      -7.775227      0.377615      3.593882
  N      -7.752449      1.522604      2.860674
  C      -8.721218      1.725719      1.942092
  N      -9.739237      0.940244      1.665061
  C      -9.811301     -0.232172      2.394390
  C     -10.865887     -1.121837      2.133452
  C     -10.991678     -2.312020      2.849003
  C     -10.056593     -2.631182      3.848235
  C      -8.994262     -1.777661      4.123732
  C      -8.833680     -0.560156      3.404270
  H      -2.334135      1.690858      2.545959
  H      -0.918272      0.808143      3.148501
  H      -3.120354     -0.768403      3.962468
  H      -2.076289     -1.153557      2.604616
  H      -4.882010      1.783977     -0.354928
  H      -7.868417     -1.654936      0.232792
  H      -7.958646     -3.655301      1.724253
  H      -6.139137     -4.070564      3.373573
  H      -4.245572     -2.511544      3.565750
  H      -5.270775      5.280408      5.117931
  H      -4.483070      6.110653      6.473452
  H      -4.185248      7.508724      4.592646
  H      -2.595295      6.735572      4.802542
  H      -6.233156      5.993956      0.933729
  H      -2.506202      3.892742     -0.692682
  H      -0.278704      3.251899      0.268288
  H       0.309597      3.924038      2.594641
  H      -1.285413      5.220013      3.966401
  H      -7.289011      0.986298      6.448085
  H      -7.034324      2.250061      5.227780
  H      -5.685312      0.367040      3.935340
  H      -6.559291     -0.765910      4.976676
  H      -8.623754      2.654829      1.366086
  H     -11.583634     -0.844235      1.359253
  H     -11.822252     -2.988957      2.638607
  H     -10.164936     -3.558935      4.415106
  H      -8.272157     -2.043919      4.896837
  N      -4.708148      2.860392      3.699988
  N      -5.562082      3.016430      2.745338
  H      -5.148001      3.123717      1.804159
  H      -6.494766      2.443541      2.823070
90
Coordinates from ORCA-job orca E -6141.219403273580
  N      -2.307637      1.464427      4.603955
  Mo     -3.870405      2.538902      5.217013
  N      -5.296569      1.599272      6.209966
  C      -5.128100      1.364412      7.639260
  C      -3.653467      1.108975      7.924115
  N      -2.829712      2.122090      7.219381
  C      -1.477547      1.612534      6.890142
  C      -1.545473      0.760069      5.633417
  C      -2.777474      3.423776      7.934479
  C      -2.554270      4.540004      6.916856
  N      -3.528541      4.398409      5.833455
  H      -0.512343      0.574344      5.283227
  H      -1.975418     -0.238877      5.857096
  H      -0.837711      2.482449      6.686382
  H      -1.048339      1.059324      7.744526
  H      -2.654006      5.517406      7.417263
  H      -1.516758      4.493150      6.531891
  H      -3.753324      3.575084      8.416993
  H      -1.997183      3.403705      8.717258
  H      -5.706029      0.479508      7.961572
  H      -5.503510      2.217717      8.240438
  H      -3.384059      0.127472      7.508747
  H      -3.430232      1.104488      9.005766
  C      -2.044483      0.987811      3.251739
  C      -2.777978     -0.334338      2.972897
  C      -3.938934     -0.186714      2.011574
  N      -3.943286      0.847398      1.174830
  C      -4.981591      0.953128      0.304822
  N      -6.016071      0.149365      0.178459
  C      -6.027749     -0.935067      1.017533
  C      -7.100608     -1.853404      0.933302
  C      -7.128940     -2.958364      1.752872
  C      -6.090798     -3.187865      2.689302
  C      -5.041643     -2.305612      2.799110
  C      -4.982807     -1.158406      1.968478
  C      -4.292199      5.589568      5.519222
  C      -3.611768      6.563661      4.516276
  C      -3.754960      6.050697      3.116602
  N      -4.933535      6.307628      2.542737
  C      -5.142103      5.818049      1.298728
  N      -4.290618      5.158280      0.533743
  C      -3.073363      4.880918      1.101542
  C      -2.128244      4.139109      0.358038
  C      -0.912889      3.793679      0.921790
  C      -0.599834      4.186056      2.242731
  C      -1.500168      4.924596      2.988523
  C      -2.754582      5.292643      2.437554
  C      -6.630347      1.315948      5.655954
  C      -6.625009      0.230143      4.541686
  C      -7.788858      0.361302      3.609610
  N      -7.781025      1.504779      2.873564
  C      -8.754497      1.693374      1.957003
  N      -9.765863      0.896287      1.687248
  C      -9.823572     -0.273510      2.421532
  C     -10.871188     -1.174257      2.170046
  C     -10.980087     -2.363924      2.889248
  C     -10.034142     -2.671823      3.881592
  C      -8.978981     -1.806607      4.147882
  C      -8.837099     -0.588383      3.426321
  H      -2.383398      1.736112      2.525558
  H      -0.954914      0.862488      3.109997
  H      -3.133772     -0.744139      3.927595
  H      -2.096731     -1.104278      2.557919
  H      -4.946759      1.823887     -0.360772
  H      -7.896599     -1.648857      0.215830
  H      -7.960528     -3.661356      1.693547
  H      -6.131010     -4.069280      3.332250
  H      -4.251802     -2.492353      3.527827
  H      -5.267449      5.316303      5.090584
  H      -4.490761      6.143734      6.454515
  H      -4.144114      7.524603      4.567091
  H      -2.567587      6.735160      4.812829
  H      -6.142005      5.992961      0.885076
  H      -2.402010      3.842798     -0.654827
  H      -0.191927      3.208761      0.347512
  H       0.360532      3.900627      2.676479
  H      -1.252339      5.214034      4.010092
  H      -7.299490      0.977071      6.464363
  H      -7.058361      2.242558      5.243020
  H      -5.698931      0.371368      3.946493
  H      -6.559257     -0.769224      4.990020
  H      -8.668251      2.619918      1.375615
  H     -11.596663     -0.905946      1.399816
  H     -11.805554     -3.049264      2.686265
  H     -10.128156     -3.599873      4.450466
  H      -8.248538     -2.064151      4.916084
  N      -4.753796      2.883669      3.710431
  N      -5.615336      3.041311      2.761823
  H      -5.202898      3.147272      1.820215
  H      -6.537474      2.448740      2.838650
90
Coordinates from ORCA-job orca E -6141.220559966729
  N      -2.337855      1.485745      4.580781
  Mo     -3.895753      2.557559      5.210988
  N      -5.312033      1.609471      6.209939
  C      -5.132474      1.364680      7.636250
  C      -3.655113      1.111086      7.908477
  N      -2.839051      2.129664      7.202617
  C      -1.488442      1.624198      6.860018
  C      -1.566180      0.777570      5.600163
  C      -2.784228      3.426818      7.925352
  C      -2.567378      4.549704      6.914613
  N      -3.546030      4.412431      5.834778
  H      -0.536166      0.593958      5.239883
  H      -1.993790     -0.222341      5.823404
  H      -0.851617      2.496161      6.655691
  H      -1.051769      1.067073      7.708021
  H      -2.668630      5.523382      7.422100
  H      -1.531269      4.508753      6.524967
  H      -3.758134      3.574517      8.412902
  H      -2.000558      3.402598      8.704549
  H      -5.705496      0.475767      7.956164
  H      -5.506099      2.212511      8.246111
  H      -3.386986      0.132405      7.485827
  H      -3.423305      1.101483      8.988268
  C      -2.085247      1.015175      3.224211
  C      -2.813950     -0.309785      2.941645
  C      -3.980783     -0.167517      1.986545
  N      -3.996137      0.869429      1.153098
  C      -5.037137      0.968905      0.286099
  N      -6.064692      0.155715      0.158885
  C      -6.064891     -0.931881      0.993735
  C      -7.128738     -1.860524      0.906986
  C      -7.145463     -2.969555      1.722220
  C      -6.104426     -3.192335      2.656332
  C      -5.063297     -2.299851      2.768448
  C      -5.016287     -1.148595      1.942492
  C      -4.291386      5.612896      5.512301
  C      -3.585531      6.577924      4.518609
  C      -3.706049      6.058421      3.119387
  N      -4.871792      6.319648      2.521794
  C      -5.061109      5.820836      1.278610
  N      -4.202008      5.144502      0.536657
  C      -2.995608      4.867504      1.126856
  C      -2.039195      4.119301      0.404484
  C      -0.831828      3.780973      0.989186
  C      -0.539432      4.183609      2.311696
  C      -1.452116      4.926427      3.037883
  C      -2.697439      5.290505      2.464025
  C      -6.645844      1.319038      5.661753
  C      -6.631250      0.232255      4.549644
  C      -7.797985      0.346818      3.619510
  N      -7.806445      1.485934      2.877213
  C      -8.785427      1.655910      1.963084
  N      -9.789336      0.845103      1.703948
  C      -9.831492     -0.318812      2.447565
  C     -10.871681     -1.232491      2.210189
  C     -10.962436     -2.417855      2.938575
  C     -10.005371     -2.709258      3.925304
  C      -8.957937     -1.830809      4.177538
  C      -8.835722     -0.615796      3.447789
  H      -2.431690      1.765862      2.504398
  H      -0.996347      0.894737      3.073979
  H      -3.161473     -0.728774      3.895611
  H      -2.128721     -1.071061      2.518028
  H      -5.011393      1.841950     -0.376848
  H      -7.927342     -1.660958      0.191051
  H      -7.970195     -3.680527      1.660998
  H      -6.135448     -4.076514      3.295954
  H      -4.270590     -2.481944      3.495238
  H      -5.263735      5.350446      5.070922
  H      -4.494995      6.169212      6.445294
  H      -4.111498      7.542994      4.555423
  H      -2.545686      6.742871      4.833479
  H      -6.050718      6.002446      0.843792
  H      -2.296259      3.815587     -0.610554
  H      -0.101083      3.193337      0.430208
  H       0.414620      3.902941      2.762187
  H      -1.219838      5.225139      4.060426
  H      -7.310985      0.977258      6.472236
  H      -7.080726      2.241915      5.247904
  H      -5.708365      0.383311      3.952822
  H      -6.553288     -0.765352      4.999978
  H      -8.712215      2.578076      1.373466
  H     -11.605388     -0.977549      1.443252
  H     -11.782359     -3.112980      2.746938
  H     -10.084637     -3.634593      4.500717
  H      -8.218875     -2.075168      4.941785
  N      -4.790714      2.910172      3.712860
  N      -5.656794      3.072285      2.767951
  H      -5.244729      3.184777      1.826955
  H      -6.568518      2.462594      2.837036
90
Coordinates from ORCA-job orca E -6141.221668680624
  N      -2.368615      1.511141      4.561280
  Mo     -3.923931      2.574620      5.210511
  N      -5.328185      1.617315      6.218222
  C      -5.135618      1.363504      7.640995
  C      -3.655033      1.114738      7.899090
  N      -2.849507      2.139790      7.190738
  C      -1.499925      1.640987      6.833765
  C      -1.586347      0.800016      5.570524
  C      -2.794708      3.433648      7.919190
  C      -2.585019      4.562498      6.914092
  N      -3.566997      4.427265      5.836846
  H      -0.559118      0.620797      5.200320
  H      -2.009219     -0.202084      5.792558
  H      -0.867985      2.516248      6.628442
  H      -1.054026      1.081009      7.675059
  H      -2.689881      5.532535      7.427931
  H      -1.549633      4.529130      6.521369
  H      -3.767422      3.576589      8.410552
  H      -2.008410      3.407539      8.695605
  H      -5.701665      0.469508      7.959060
  H      -5.508319      2.205051      8.260017
  H      -3.386461      0.139178      7.469708
  H      -3.413630      1.101643      8.976737
  C      -2.123638      1.050163      3.199658
  C      -2.846987     -0.276619      2.908598
  C      -4.018125     -0.133776      1.958535
  N      -4.040572      0.909541      1.132739
  C      -5.084002      1.010720      0.269341
  N      -6.108161      0.193371      0.138363
  C      -6.101277     -0.900533      0.964762
  C      -7.161306     -1.833103      0.873394
  C      -7.171636     -2.948765      1.680181
  C      -6.127779     -3.173984      2.610038
  C      -5.089958     -2.277461      2.726771
  C      -5.049436     -1.119464      1.909744
  C      -4.289839      5.636736      5.498631
  C      -3.556950      6.586635      4.509616
  C      -3.655995      6.055591      3.112982
  N      -4.809148      6.318675      2.492019
  C      -4.981801      5.803318      1.253296
  N      -4.117297      5.105671      0.537210
  C      -2.920922      4.832370      1.148900
  C      -1.954845      4.073729      0.450189
  C      -0.755045      3.745134      1.055703
  C      -0.480836      4.165603      2.376365
  C      -1.403882      4.917434      3.079912
  C      -2.640822      5.274294      2.483798
  C      -6.661923      1.317918      5.676621
  C      -6.637771      0.229640      4.567312
  C      -7.806800      0.327044      3.638793
  N      -7.831623      1.462720      2.891898
  C      -8.814331      1.614374      1.978655
  N      -9.808610      0.788908      1.726552
  C      -9.834658     -0.370806      2.476878
  C     -10.864244     -1.298996      2.248476
  C     -10.935739     -2.482333      2.982217
  C      -9.969473     -2.757606      3.964549
  C      -8.932875     -1.864052      4.208140
  C      -8.831659     -0.649953      3.474324
  H      -2.477180      1.804484      2.487457
  H      -1.035190      0.936227      3.042428
  H      -3.187440     -0.707359      3.859987
  H      -2.158368     -1.028807      2.474804
  H      -5.063802      1.888844     -0.386997
  H      -7.962485     -1.631325      0.160982
  H      -7.993846     -3.662462      1.616135
  H      -6.153935     -4.062895      3.243265
  H      -4.294842     -2.461678      3.450412
  H      -5.259013      5.384176      5.045102
  H      -4.498528      6.200883      6.425877
  H      -4.074966      7.556449      4.528791
  H      -2.521501      6.745325      4.841819
  H      -5.961398      5.989165      0.798281
  H      -2.196724      3.756404     -0.564529
  H      -0.016010      3.151279      0.514429
  H       0.467387      3.892154      2.843322
  H      -1.184813      5.231571      4.100708
  H      -7.322341      0.973001      6.489637
  H      -7.104316      2.236581      5.261631
  H      -5.718238      0.390495      3.968717
  H      -6.546661     -0.765814      5.019893
  H      -8.754104      2.533055      1.382573
  H     -11.604593     -1.057208      1.483675
  H     -11.747498     -3.188774      2.797411
  H     -10.032786     -3.682141      4.543165
  H      -8.186517     -2.095933      4.969189
  N      -4.832965      2.929566      3.722540
  N      -5.704388      3.091097      2.781106
  H      -5.291570      3.193327      1.839527
  H      -6.605556      2.464958      2.850537
90
Coordinates from ORCA-job orca E -6141.222711739105
  N      -2.403553      1.527175      4.546588
  Mo     -3.951706      2.590554      5.211870
  N      -5.345374      1.628880      6.230074
  C      -5.140236      1.368375      7.649741
  C      -3.657041      1.121616      7.894018
  N      -2.859722      2.149872      7.181030
  C      -1.512745      1.653415      6.810378
  C      -1.611027      0.814736      5.546645
  C      -2.800804      3.441149      7.913449
  C      -2.598750      4.574443      6.912506
  N      -3.585700      4.440644      5.839699
  H      -0.587588      0.636654      5.165696
  H      -2.031243     -0.187800      5.771140
  H      -0.883610      2.529764      6.601179
  H      -1.058616      1.091752      7.646130
  H      -2.705508      5.541607      7.431536
  H      -1.564883      4.546893      6.515121
  H      -3.770666      3.581699      8.411084
  H      -2.009809      3.412739      8.684905
  H      -5.701429      0.471373      7.967799
  H      -5.509792      2.205831      8.276086
  H      -3.390700      0.147622      7.459857
  H      -3.405898      1.106489      8.969400
  C      -2.166744      1.073380      3.180747
  C      -2.888728     -0.253354      2.882002
  C      -4.061084     -0.109377      1.933312
  N      -4.086108      0.938638      1.113107
  C      -5.128309      1.041031      0.248904
  N      -6.149488      0.220273      0.111451
  C      -6.139993     -0.878394      0.931247
  C      -7.196145     -1.814594      0.831710
  C      -7.204248     -2.935762      1.631609
  C      -6.161992     -3.162437      2.562187
  C      -5.127384     -2.262229      2.686815
  C      -5.089055     -1.098756      1.877303
  C      -4.287160      5.658363      5.486942
  C      -3.530445      6.593098      4.501314
  C      -3.608495      6.049675      3.107899
  N      -4.751450      6.308291      2.466481
  C      -4.906349      5.778722      1.231473
  N      -4.033496      5.068199      0.538010
  C      -2.844466      4.805359      1.167865
  C      -1.864214      4.047611      0.487831
  C      -0.667956      3.737196      1.109704
  C      -0.412448      4.172988      2.429016
  C      -1.350381      4.922987      3.114703
  C      -2.583067      5.263943      2.500904
  C      -6.678443      1.319004      5.694741
  C      -6.643036      0.229821      4.587738
  C      -7.813450      0.309985      3.659813
  N      -7.856199      1.443623      2.911210
  C      -8.842769      1.577866      1.999530
  N      -9.826347      0.737224      1.752913
  C      -9.834792     -0.419556      2.507241
  C     -10.852644     -1.362815      2.286113
  C     -10.903072     -2.545398      3.022469
  C      -9.927096     -2.805651      3.999348
  C      -8.902473     -1.896641      4.235767
  C      -8.824106     -0.682058      3.500703
  H      -2.524382      1.832012      2.475281
  H      -1.079091      0.962006      3.017530
  H      -3.226220     -0.692639      3.830712
  H      -2.197555     -0.999072      2.441611
  H      -5.109984      1.922691     -0.402684
  H      -7.996445     -1.611346      0.118745
  H      -8.024075     -3.651844      1.561944
  H      -6.186443     -4.055116      3.190131
  H      -4.332984     -2.448092      3.410868
  H      -5.253570      5.414844      5.023107
  H      -4.499075      6.230449      6.408679
  H      -4.042545      7.566205      4.502813
  H      -2.499687      6.748392      4.849417
  H      -5.877248      5.963994      0.758046
  H      -2.090889      3.718759     -0.526815
  H       0.083042      3.145922      0.582183
  H       0.533298      3.913684      2.908889
  H      -1.144423      5.251347      4.133768
  H      -7.334055      0.970334      6.510044
  H      -7.129343      2.232807      5.278403
  H      -5.726562      0.401957      3.988512
  H      -6.538522     -0.763418      5.042296
  H      -8.797056      2.494484      1.399361
  H     -11.600013     -1.133484      1.524308
  H     -11.705612     -3.263644      2.843236
  H      -9.973165     -3.730585      4.578893
  H      -8.148462     -2.116737      4.992773
  N      -4.874271      2.947141      3.732839
  N      -5.749789      3.109128      2.794033
  H      -5.336519      3.202973      1.851942
  H      -6.642133      2.470554      2.862725
90
Coordinates from ORCA-job orca E -6141.223629318066
  N      -2.434100      1.547934      4.533971
  Mo     -3.977451      2.607738      5.214112
  N      -5.363130      1.642101      6.238748
  C      -5.149181      1.375937      7.656175
  C      -3.664287      1.129783      7.890212
  N      -2.872449      2.160320      7.174238
  C      -1.527796      1.665090      6.792320
  C      -1.635531      0.830789      5.526156
  C      -2.809343      3.449375      7.910260
  C      -2.610942      4.585547      6.912168
  N      -3.600803      4.455563      5.841372
  H      -0.615121      0.653215      5.137077
  H      -2.055342     -0.171934      5.749889
  H      -0.900127      2.542206      6.581988
  H      -1.068092      1.100541      7.623048
  H      -2.718093      5.550984      7.434652
  H      -1.577922      4.560464      6.512347
  H      -3.776819      3.589083      8.412714
  H      -2.015104      3.418158      8.678213
  H      -5.707559      0.477061      7.973671
  H      -5.516120      2.210416      8.287841
  H      -3.400110      0.157029      7.452050
  H      -3.405706      1.112335      8.963785
  C      -2.202158      1.103608      3.163857
  C      -2.923708     -0.221539      2.852318
  C      -4.097945     -0.073915      1.906209
  N      -4.128836      0.982592      1.096706
  C      -5.173446      1.090188      0.236709
  N      -6.192710      0.266848      0.093601
  C      -6.176492     -0.840918      0.900588
  C      -7.229085     -1.780490      0.793251
  C      -7.230357     -2.911694      1.579867
  C      -6.184887     -3.144638      2.504395
  C      -5.153575     -2.240674      2.637171
  C      -5.122038     -1.067331      1.841595
  C      -4.280002      5.682261      5.474436
  C      -3.497866      6.600518      4.493674
  C      -3.560589      6.048845      3.102702
  N      -4.690560      6.314854      2.442026
  C      -4.832545      5.776936      1.209118
  N      -3.958895      5.047015      0.536785
  C      -2.781536      4.778939      1.185310
  C      -1.798904      4.005576      0.526438
  C      -0.612633      3.694080      1.166407
  C      -0.370640      4.141515      2.484293
  C      -1.312343      4.904483      3.150262
  C      -2.533895      5.248915      2.516822
  C      -6.693760      1.321422      5.705521
  C      -6.643705      0.228666      4.603607
  C      -7.814462      0.286741      3.674558
  N      -7.873243      1.413424      2.917153
  C      -8.861991      1.525428      2.005046
  N      -9.834922      0.669033      1.767777
  C      -9.828455     -0.479212      2.534040
  C     -10.835694     -1.437158      2.325623
  C     -10.868748     -2.612709      3.073649
  C      -9.885607     -2.852210      4.048706
  C      -8.871417     -1.928435      4.272134
  C      -8.812162     -0.719643      3.526641
  H      -2.560787      1.868791      2.466057
  H      -1.114994      0.994104      2.997359
  H      -3.258661     -0.672567      3.796569
  H      -2.229989     -0.959204      2.403032
  H      -5.160016      1.978533     -0.405782
  H      -8.032307     -1.571984      0.085143
  H      -8.047997     -3.629914      1.504888
  H      -6.204032     -4.044491      3.122140
  H      -4.356343     -2.431731      3.356781
  H      -5.244399      5.449941      5.001125
  H      -4.493301      6.261977      6.391203
  H      -3.998235      7.579685      4.481071
  H      -2.470672      6.746160      4.855967
  H      -5.792406      5.972540      0.717739
  H      -2.015913      3.666160     -0.486714
  H       0.140780      3.092263      0.654448
  H       0.566995      3.880479      2.978882
  H      -1.117198      5.241728      4.168624
  H      -7.347493      0.971383      6.521738
  H      -7.151469      2.229407      5.284157
  H      -5.729752      0.411600      4.004783
  H      -6.524803     -0.760609      5.063246
  H      -8.829040      2.435718      1.394828
  H     -11.588254     -1.224765      1.564028
  H     -11.662942     -3.342384      2.904166
  H      -9.917457     -3.772582      4.636309
  H      -8.111567     -2.132262      5.027832
  N      -4.907375      2.966004      3.741748
  N      -5.785244      3.127434      2.803389
  H      -5.370697      3.221917      1.861866
  H      -6.667295      2.475053      2.867029
90
Coordinates from ORCA-job orca E -6141.224659634841
  N      -2.471841      1.563640      4.519466
  Mo     -4.006651      2.624371      5.215590
  N      -5.379869      1.652619      6.250815
  C      -5.152059      1.377827      7.664184
  C      -3.664392      1.134998      7.883399
  N      -2.882228      2.170496      7.163856
  C      -1.540107      1.679827      6.766985
  C      -1.659941      0.847718      5.501131
  C      -2.815737      3.455892      7.905315
  C      -2.628868      4.598672      6.913641
  N      -3.623749      4.469472      5.848082
  H      -0.644018      0.673028      5.099562
  H      -2.075029     -0.155914      5.728491
  H      -0.916980      2.559103      6.552494
  H      -1.070606      1.114144      7.591374
  H      -2.741091      5.559520      7.443732
  H      -1.597582      4.583970      6.508785
  H      -3.779374      3.590355      8.416381
  H      -2.015219      3.422708      8.666429
  H      -5.705241      0.475548      7.980742
  H      -5.515399      2.207281      8.304263
  H      -3.401319      0.164621      7.439610
  H      -3.395797      1.114997      8.954409
  C      -2.246945      1.127290      3.145218
  C      -2.962551     -0.199935      2.823826
  C      -4.137240     -0.055717      1.877988
  N      -4.171494      1.003417      1.071401
  C      -5.214394      1.108712      0.210000
  N      -6.230077      0.280471      0.062737
  C      -6.210155     -0.830167      0.865419
  C      -7.258250     -1.774264      0.753080
  C      -7.256127     -2.909204      1.535713
  C      -6.211582     -3.140717      2.460305
  C      -5.184034     -2.231634      2.598294
  C      -5.156249     -1.054735      1.807805
  C      -4.279751      5.703522      5.464030
  C      -3.473873      6.605484      4.487302
  C      -3.517480      6.045373      3.098646
  N      -4.634960      6.311238      2.417161
  C      -4.758556      5.764070      1.186229
  N      -3.878724      5.020279      0.536676
  C      -2.711662      4.756470      1.204557
  C      -1.717965      3.978767      0.566600
  C      -0.538805      3.679227      1.224832
  C      -0.316028      4.139505      2.541378
  C      -1.269873      4.904268      3.187636
  C      -2.483219      5.239557      2.534608
  C      -6.708500      1.320845      5.722713
  C      -6.644091      0.231781      4.619856
  C      -7.815897      0.274242      3.691806
  N      -7.892803      1.400162      2.936371
  C      -8.886497      1.498625      2.028735
  N      -9.850722      0.629731      1.798005
  C      -9.827395     -0.516034      2.566077
  C     -10.826393     -1.485223      2.367386
  C     -10.838717     -2.660309      3.115835
  C      -9.842680     -2.889773      4.080159
  C      -8.837141     -1.954640      4.293514
  C      -8.800863     -0.744646      3.549824
  H      -2.611032      1.896128      2.454416
  H      -1.160359      1.023435      2.973721
  H      -3.294539     -0.661139      3.764398
  H      -2.262878     -0.927943      2.368967
  H      -5.203221      1.998511     -0.430405
  H      -8.061240     -1.566319      0.044724
  H      -8.071027     -3.630403      1.457671
  H      -6.227844     -4.042707      3.074769
  H      -4.386916     -2.421958      3.318145
  H      -5.240790      5.479125      4.980652
  H      -4.495931      6.292808      6.374104
  H      -3.965816      7.588531      4.460069
  H      -2.451186      6.745385      4.864114
  H      -5.706763      5.964594      0.674967
  H      -1.919714      3.627887     -0.445839
  H       0.223959      3.076433      0.728263
  H       0.616118      3.887297      3.050492
  H      -1.088880      5.252789      4.204807
  H      -7.357703      0.964881      6.539992
  H      -7.175886      2.223913      5.301691
  H      -5.733950      0.431048      4.022109
  H      -6.509717     -0.756398      5.077534
  H      -8.867886      2.407378      1.416162
  H     -11.588058     -1.281946      1.612544
  H     -11.626158     -3.398658      2.953991
  H      -9.857268     -3.811260      4.666370
  H      -8.067291     -2.150490      5.040996
  N      -4.948919      2.982459      3.750991
  N      -5.828135      3.143357      2.812087
  H      -5.410018      3.222866      1.871582
  H      -6.699965      2.478905      2.875107
90
Coordinates from ORCA-job orca E -6141.225410876164
  N      -2.505869      1.589138      4.500453
  Mo     -4.037364      2.640812      5.215373
  N      -5.396747      1.656578      6.257507
  C      -5.155079      1.371288      7.666286
  C      -3.664180      1.135865      7.871264
  N      -2.894252      2.180059      7.151035
  C      -1.552802      1.699309      6.739308
  C      -1.680263      0.873228      5.470471
  C      -2.829344      3.461159      7.899678
  C      -2.652835      4.611791      6.915923
  N      -3.650043      4.483711      5.852618
  H      -0.667700      0.706135      5.057606
  H      -2.087538     -0.133685      5.696930
  H      -0.936694      2.583411      6.524393
  H      -1.072867      1.131634      7.556288
  H      -2.772590      5.567315      7.454274
  H      -1.622106      4.609302      6.509116
  H      -3.791070      3.587767      8.416297
  H      -2.024989      3.426643      8.656587
  H      -5.700408      0.463104      7.979329
  H      -5.517898      2.192979      8.316522
  H      -3.398553      0.169562      7.420292
  H      -3.386356      1.112385      8.939854
  C      -2.285151      1.167637      3.120688
  C      -2.991807     -0.162071      2.786900
  C      -4.171826     -0.019459      1.847479
  N      -4.216025      1.045139      1.048005
  C      -5.263591      1.150432      0.192874
  N      -6.276773      0.317973      0.046441
  C      -6.246676     -0.798002      0.841112
  C      -7.291133     -1.746234      0.729173
  C      -7.278868     -2.887403      1.503626
  C      -6.227272     -3.120818      2.418902
  C      -5.202737     -2.207211      2.556870
  C      -5.185586     -1.024095      1.775361
  C      -4.278767      5.725759      5.448654
  C      -3.444566      6.608065      4.477861
  C      -3.466879      6.034339      3.094095
  N      -4.571783      6.296966      2.391264
  C      -4.678005      5.735245      1.165231
  N      -3.792217      4.976817      0.540679
  C      -2.635826      4.719372      1.228660
  C      -1.632612      3.934805      0.614107
  C      -0.461152      3.647545      1.291114
  C      -0.256553      4.124843      2.604459
  C      -1.221086      4.894734      3.228605
  C      -2.425888      5.219757      2.555317
  C      -6.724118      1.313426      5.734542
  C      -6.650017      0.224650      4.632802
  C      -7.823952      0.250955      3.706724
  N      -7.914864      1.371375      2.945302
  C      -8.911910      1.453271      2.039901
  N      -9.868931      0.573148      1.819285
  C      -9.832656     -0.565758      2.596105
  C     -10.824322     -1.545316      2.409955
  C     -10.820055     -2.715963      3.165040
  C      -9.814626     -2.931386      4.122761
  C      -8.816786     -1.985441      4.323808
  C      -8.798659     -0.778705      3.574902
  H      -2.657524      1.941118      2.439659
  H      -1.198838      1.073827      2.943535
  H      -3.315571     -0.637485      3.723371
  H      -2.286696     -0.877408      2.320888
  H      -5.259792      2.044041     -0.442244
  H      -8.100003     -1.536451      0.028090
  H      -8.091536     -3.611500      1.426695
  H      -6.235363     -4.027258      3.026893
  H      -4.399767     -2.399164      3.269812
  H      -5.235275      5.511179      4.952425
  H      -4.499637      6.325488      6.350890
  H      -3.925957      7.595604      4.431501
  H      -2.427851      6.742324      4.872414
  H      -5.615481      5.936467      0.635005
  H      -1.820323      3.569657     -0.396072
  H       0.309760      3.041055      0.811890
  H       0.669872      3.882200      3.128476
  H      -1.053350      5.257845      4.242979
  H      -7.368098      0.953574      6.554283
  H      -7.200746      2.211442      5.313273
  H      -5.743906      0.434983      4.033796
  H      -6.502396     -0.761391      5.091081
  H      -8.903812      2.356189      1.418806
  H     -11.592546     -1.354106      1.658625
  H     -11.601311     -3.462637      3.012416
  H      -9.815163     -3.850606      4.712624
  H      -8.039353     -2.170529      5.066133
  N      -4.990111      2.999921      3.759592
  N      -5.870671      3.160756      2.820633
  H      -5.450806      3.252436      1.882108
  H      -6.730333      2.479990      2.874064
90
Coordinates from ORCA-job orca E -6141.226144928734
  N      -2.540837      1.595874      4.502294
  Mo     -4.063089      2.652350      5.225392
  N      -5.416292      1.668976      6.275208
  C      -5.167550      1.379624      7.681902
  C      -3.675809      1.143440      7.878589
  N      -2.909432      2.187906      7.154661
  C      -1.570739      1.706371      6.733791
  C      -1.707949      0.880037      5.466155
  C      -2.839489      3.467517      7.905241
  C      -2.668158      4.620538      6.924057
  N      -3.666606      4.494083      5.862281
  H      -0.699104      0.712574      5.044778
  H      -2.114352     -0.126164      5.696098
  H      -0.955818      2.590325      6.515024
  H      -1.085723      1.138391      7.547524
  H      -2.791471      5.573962      7.465943
  H      -1.637965      4.623386      6.516055
  H      -3.797810      3.593304      8.428193
  H      -2.030712      3.431522      8.657227
  H      -5.712406      0.471471      7.995380
  H      -5.526194      2.200322      8.335458
  H      -3.412766      0.177194      7.426142
  H      -3.392189      1.119587      8.945614
  C      -2.320972      1.182145      3.119634
  C      -3.023634     -0.146592      2.768509
  C      -4.201347     -0.001368      1.827045
  N      -4.246616      1.070820      1.037204
  C      -5.293214      1.182083      0.182781
  N      -6.305726      0.348710      0.028330
  C      -6.273800     -0.775417      0.810944
  C      -7.316652     -1.724321      0.689673
  C      -7.302783     -2.874576      1.452483
  C      -6.251009     -3.115730      2.364062
  C      -5.227308     -2.200660      2.511731
  C      -5.212204     -1.008829      1.743421
  C      -4.268847      5.743018      5.436693
  C      -3.410261      6.605011      4.468861
  C      -3.426307      6.031577      3.084543
  N      -4.520496      6.306111      2.369879
  C      -4.617052      5.749882      1.140280
  N      -3.732812      4.980887      0.525750
  C      -2.586530      4.712205      1.225311
  C      -1.581667      3.921695      0.620071
  C      -0.417386      3.630127      1.307151
  C      -0.222592      4.105168      2.622719
  C      -1.189952      4.878136      3.238641
  C      -2.386238      5.210158      2.554366
  C      -6.740114      1.316911      5.752093
  C      -6.649937      0.229698      4.651839
  C      -7.822082      0.238858      3.723580
  N      -7.928239      1.354990      2.959575
  C      -8.926751      1.420101      2.055088
  N      -9.872523      0.525538      1.839211
  C      -9.821739     -0.607738      2.621648
  C     -10.801447     -1.601562      2.442447
  C     -10.778243     -2.768453      3.201869
  C      -9.766783     -2.967257      4.157034
  C      -8.781716     -2.007110      4.351073
  C      -8.783550     -0.803234      3.598607
  H      -2.692583      1.961579      2.445394
  H      -1.234581      1.091420      2.943184
  H      -3.348224     -0.635532      3.697955
  H      -2.312207     -0.850835      2.296331
  H      -5.289808      2.080684     -0.445021
  H      -8.126146     -1.508023     -0.008601
  H      -8.114947     -3.598657      1.368759
  H      -6.257413     -4.028390      2.962545
  H      -4.423713     -2.398897      3.222223
  H      -5.222882      5.537648      4.932296
  H      -4.489674      6.355122      6.330789
  H      -3.874617      7.600370      4.416019
  H      -2.395142      6.723622      4.871983
  H      -5.543871      5.965937      0.597436
  H      -1.762452      3.555603     -0.390992
  H       0.355299      3.020973      0.834277
  H       0.698027      3.858340      3.154876
  H      -1.029983      5.239944      4.254739
  H      -7.384049      0.954939      6.570976
  H      -7.222527      2.210019      5.327042
  H      -5.746755      0.454720      4.055973
  H      -6.488589     -0.754198      5.110057
  H      -8.931781      2.319585      1.429316
  H     -11.573795     -1.424620      1.691973
  H     -11.548954     -3.526732      3.053969
  H      -9.751852     -3.884913      4.748854
  H      -7.998791     -2.179436      5.090525
  N      -5.020389      3.007968      3.772970
  N      -5.899123      3.167939      2.830472
  H      -5.476975      3.255812      1.893381
  H      -6.754322      2.483881      2.882797
90
Coordinates from ORCA-job orca E -6141.226730999946
  N      -2.574134      1.618272      4.488602
  Mo     -4.092175      2.666665      5.227622
  N      -5.430448      1.669563      6.283293
  C      -5.168106      1.369531      7.685128
  C      -3.673167      1.142882      7.868567
  N      -2.919961      2.197348      7.145044
  C      -1.581335      1.727934      6.709961
  C      -1.724613      0.906238      5.440477
  C      -2.852840      3.472178      7.903486
  C      -2.695874      4.634181      6.931375
  N      -3.695903      4.506264      5.871960
  H      -0.719469      0.749182      5.006895
  H      -2.120371     -0.103917      5.670612
  H      -0.975165      2.617617      6.490262
  H      -1.085008      1.159716      7.516621
  H      -2.830714      5.580949      7.482613
  H      -1.666464      4.654025      6.521716
  H      -3.808110      3.587752      8.434204
  H      -2.038608      3.436426      8.649402
  H      -5.704738      0.455344      7.994776
  H      -5.526897      2.182306      8.348264
  H      -3.406107      0.181164      7.409087
  H      -3.381223      1.115652      8.933219
  C      -2.355349      1.220323      3.100926
  C      -3.044134     -0.112359      2.734536
  C      -4.226068      0.028345      1.798024
  N      -4.278725      1.102561      1.010434
  C      -5.328157      1.210691      0.160190
  N      -6.338909      0.373342      0.008721
  C      -6.298960     -0.752973      0.787587
  C      -7.338386     -1.705852      0.668861
  C      -7.316732     -2.859104      1.428545
  C      -6.259622     -3.098888      2.333070
  C      -5.237903     -2.179651      2.478090
  C      -5.231633     -0.984698      1.714511
  C      -4.270454      5.760360      5.422410
  C      -3.384751      6.600497      4.460514
  C      -3.384880      6.018369      3.079533
  N      -4.466514      6.294609      2.346531
  C      -4.546336      5.733465      1.117927
  N      -3.657895      4.953842      0.522506
  C      -2.523953      4.683618      1.240497
  C      -1.512550      3.886012      0.655016
  C      -0.358522      3.597271      1.360076
  C      -0.181420      4.079470      2.675390
  C      -1.156206      4.857661      3.272802
  C      -2.341218      5.189003      2.569354
  C      -6.752243      1.306895      5.764057
  C      -6.653241      0.223846      4.661486
  C      -7.828108      0.222386      3.736742
  N      -7.947570      1.336004      2.972125
  C      -8.951497      1.391355      2.073605
  N      -9.892038      0.488614      1.866150
  C      -9.828632     -0.641073      2.651564
  C     -10.802866     -1.642579      2.482340
  C     -10.763375     -2.807934      3.242654
  C      -9.741704     -2.998505      4.188522
  C      -8.762844     -2.030439      4.372812
  C      -8.781866     -0.827217      3.620409
  H      -2.735939      2.003616      2.436455
  H      -1.268778      1.142949      2.921314
  H      -3.360226     -0.617475      3.658302
  H      -2.323941     -0.800075      2.252092
  H      -5.330017      2.109684     -0.466979
  H      -8.152543     -1.490056     -0.024010
  H      -8.127196     -3.585572      1.347664
  H      -6.259233     -4.013409      2.928584
  H      -4.429502     -2.377390      3.183207
  H      -5.219197      5.562260      4.905645
  H      -4.495539      6.385337      6.306587
  H      -3.834832      7.601534      4.393477
  H      -2.374528      6.709094      4.878085
  H      -5.460482      5.956802      0.557116
  H      -1.680121      3.511686     -0.355294
  H       0.419519      2.983873      0.901824
  H       0.730901      3.833949      3.222112
  H      -1.010083      5.225123      4.288944
  H      -7.391400      0.939688      6.584388
  H      -7.243818      2.195776      5.340815
  H      -5.755025      0.461750      4.064485
  H      -6.479465     -0.759629      5.116017
  H      -8.967443      2.287973      1.444317
  H     -11.582517     -1.473278      1.737810
  H     -11.528853     -3.572583      3.101918
  H      -9.713189     -3.916143      4.779615
  H      -7.971762     -2.196412      5.104829
  N      -5.060422      3.020152      3.782742
  N      -5.938278      3.178323      2.838254
  H      -5.513037      3.269040      1.903405
  H      -6.780172      2.478318      2.884230
90
Coordinates from ORCA-job orca E -6141.227205541545
  N      -2.607351      1.635021      4.481311
  Mo     -4.120511      2.677432      5.233176
  N      -5.446643      1.670040      6.294202
  C      -5.173193      1.360922      7.691705
  C      -3.675830      1.142014      7.864039
  N      -2.933518      2.204691      7.140987
  C      -1.594985      1.745616      6.694002
  C      -1.742885      0.927363      5.422964
  C      -2.869341      3.475598      7.905941
  C      -2.724035      4.645126      6.941713
  N      -3.723569      4.516177      5.882636
  H      -0.741027      0.780216      4.978830
  H      -2.128572     -0.086428      5.653379
  H      -0.996606      2.640303      6.473485
  H      -1.088947      1.177743      7.494864
  H      -2.869988      5.585935      7.500945
  H      -1.694763      4.680355      6.532500
  H      -3.822230      3.582219      8.442699
  H      -2.050956      3.440385      8.647206
  H      -5.703334      0.441893      7.997828
  H      -5.531663      2.167072      8.362990
  H      -3.405235      0.184043      7.398933
  H      -3.377131      1.112211      8.926754
  C      -2.389394      1.251603      3.089177
  C      -3.065185     -0.084144      2.707143
  C      -4.251622      0.053739      1.776448
  N      -4.312131      1.132412      0.994901
  C      -5.364969      1.240340      0.149675
  N      -6.373521      0.399227     -0.001630
  C      -6.325214     -0.731734      0.769713
  C      -7.361008     -1.688296      0.650123
  C      -7.331532     -2.846924      1.402848
  C      -6.269192     -3.088132      2.299732
  C      -5.249702     -2.164978      2.445524
  C      -5.252251     -0.964495      1.690596
  C      -4.267908      5.774746      5.407360
  C      -3.354190      6.591199      4.451415
  C      -3.341705      6.003537      3.072572
  N      -4.414024      6.280668      2.326183
  C      -4.479252      5.719776      1.096549
  N      -3.585325      4.936922      0.513054
  C      -2.460809      4.665519      1.244551
  C      -1.441811      3.868331      0.671091
  C      -0.295454      3.581815      1.389252
  C      -0.133940      4.064145      2.706489
  C      -1.116648      4.841221      3.292467
  C      -2.293539      5.171648      2.575370
  C      -6.766559      1.298984      5.777635
  C      -6.659516      0.219939      4.672966
  C      -7.835919      0.208372      3.750300
  N      -7.967941      1.318715      2.984075
  C      -8.976125      1.363248      2.090175
  N      -9.910044      0.451175      1.889615
  C      -9.833909     -0.674802      2.677996
  C     -10.800205     -1.686047      2.516375
  C     -10.744435     -2.849254      3.278214
  C      -9.715346     -3.028853      4.218246
  C      -8.745175     -2.051088      4.395125
  C      -8.780895     -0.849427      3.641524
  H      -2.778145      2.038583      2.433922
  H      -1.302793      1.186681      2.906918
  H      -3.372324     -0.606104      3.624678
  H      -2.336990     -0.754750      2.213469
  H      -5.372671      2.141907     -0.473667
  H      -8.179604     -1.471073     -0.037029
  H      -8.140245     -3.575518      1.322060
  H      -6.261785     -4.006550      2.889136
  H      -4.436554     -2.364512      3.144677
  H      -5.211228      5.584431      4.878261
  H      -4.496719      6.413961      6.280551
  H      -3.787252      7.598899      4.372742
  H      -2.348346      6.686942      4.882134
  H      -5.384569      5.947018      0.523274
  H      -1.597450      3.491744     -0.340412
  H       0.488667      2.969559      0.939898
  H       0.772354      3.819839      3.263692
  H      -0.982640      5.209265      4.310029
  H      -7.402072      0.927632      6.599015
  H      -7.265656      2.184291      5.355743
  H      -5.765780      0.469456      4.075290
  H      -6.474725     -0.763214      5.123761
  H      -9.003289      2.257177      1.457657
  H     -11.585234     -1.526316      1.775452
  H     -11.502427     -3.622148      3.142585
  H      -9.673464     -3.945868      4.809367
  H      -7.947797     -2.208811      5.122038
  N      -5.095324      3.028076      3.793639
  N      -5.970574      3.186150      2.845822
  H      -5.543943      3.288032      1.913446
  H      -6.806515      2.479610      2.885563
90
Coordinates from ORCA-job orca E -6141.227568518600
  N      -2.638171      1.653404      4.472807
  Mo     -4.146705      2.688529      5.237038
  N      -5.460054      1.669303      6.301729
  C      -5.175845      1.350759      7.694922
  C      -3.676035      1.140715      7.856588
  N      -2.945382      2.212783      7.135237
  C      -1.606480      1.765919      6.676639
  C      -1.757510      0.951284      5.403721
  C      -2.885137      3.478997      7.907869
  C      -2.752643      4.656265      6.951809
  N      -3.751435      4.525828      5.892763
  H      -0.758898      0.816335      4.948937
  H      -2.131501     -0.066765      5.633658
  H      -1.016982      2.666314      6.455527
  H      -1.090258      1.199031      7.471633
  H      -2.909854      5.590998      7.518776
  H      -1.723905      4.707190      6.542859
  H      -3.835207      3.575751      8.451342
  H      -2.062114      3.444895      8.643908
  H      -5.698790      0.426481      7.997192
  H      -5.534945      2.149912      8.374085
  H      -3.401612      0.187108      7.384916
  H      -3.370799      1.107104      8.917300
  C      -2.422020      1.283618      3.076512
  C      -3.083691     -0.055955      2.681556
  C      -4.274116      0.077542      1.755908
  N      -4.340577      1.158078      0.976597
  C      -5.395326      1.263516      0.134547
  N      -6.401959      0.418862     -0.015296
  C      -6.347090     -0.714151      0.752426
  C      -7.379446     -1.674261      0.633521
  C      -7.343913     -2.835464      1.383329
  C      -6.277791     -3.075523      2.275048
  C      -5.260270     -2.148831      2.419822
  C      -5.269898     -0.945483      1.669479
  C      -4.268379      5.787293      5.393415
  C      -3.327322      6.580239      4.445021
  C      -3.302314      5.987235      3.068394
  N      -4.365164      6.265768      2.308768
  C      -4.414265      5.708369      1.076948
  N      -3.514067      4.924591      0.504054
  C      -2.400361      4.649586      1.249828
  C      -1.375224      3.851172      0.688852
  C      -0.238535      3.562456      1.421230
  C      -0.092938      4.043277      2.740837
  C      -1.082042      4.821170      3.315002
  C      -2.249369      5.153961      2.583523
  C      -6.777698      1.289452      5.787272
  C      -6.663011      0.216606      4.678001
  C      -7.842680      0.196193      3.759806
  N      -7.988994      1.304894      2.994691
  C      -9.004199      1.341057      2.108838
  N      -9.932328      0.420828      1.915866
  C      -9.841591     -0.703328      2.704179
  C     -10.801132     -1.722995      2.550994
  C     -10.728748     -2.884936      3.312636
  C      -9.690463     -3.055753      4.244252
  C      -8.727424     -2.069836      4.412617
  C      -8.779923     -0.868974      3.659218
  H      -2.820412      2.072929      2.429980
  H      -1.335534      1.232210      2.890823
  H      -3.381433     -0.592859      3.593578
  H      -2.347308     -0.709668      2.178029
  H      -5.407327      2.165205     -0.488501
  H      -8.201066     -1.457860     -0.050202
  H      -8.150866     -3.566109      1.303304
  H      -6.264607     -3.995767      2.861442
  H      -4.443689     -2.348183      3.114980
  H      -5.205818      5.604085      4.851732
  H      -4.500881      6.439772      6.255903
  H      -3.742629      7.594558      4.355439
  H      -2.326250      6.662422      4.888983
  H      -5.309714      5.941157      0.490607
  H      -1.518776      3.474674     -0.324438
  H       0.550386      2.949695      0.981128
  H       0.805675      3.796966      3.309426
  H      -0.960891      5.187499      4.334786
  H      -7.408850      0.911280      6.608954
  H      -7.285273      2.171634      5.369001
  H      -5.774910      0.479363      4.078438
  H      -6.466032     -0.766724      5.123042
  H      -9.044615      2.234128      1.476089
  H     -11.593279     -1.570739      1.816200
  H     -11.480607     -3.664784      3.183320
  H      -9.635312     -3.972466      4.834566
  H      -7.922578     -2.220795      5.132567
  N      -5.131159      3.035510      3.803426
  N      -6.005087      3.191610      2.853856
  H      -5.577403      3.295480      1.922538
  H      -6.833031      2.476803      2.891707
90
Coordinates from ORCA-job orca E -6141.227899825059
  N      -2.668531      1.669536      4.464280
  Mo     -4.174045      2.695330      5.241030
  N      -5.473290      1.662473      6.309664
  C      -5.176774      1.333536      7.697633
  C      -3.674196      1.135115      7.847765
  N      -2.957783      2.218991      7.129414
  C      -1.617398      1.788798      6.658946
  C      -1.768877      0.976996      5.384294
  C      -2.905572      3.480216      7.910524
  C      -2.788713      4.666491      6.964187
  N      -3.784849      4.532904      5.903761
  H      -0.773345      0.858163      4.918825
  H      -2.126811     -0.046738      5.613920
  H      -1.040184      2.697011      6.437140
  H      -1.088881      1.225022      7.448081
  H      -2.961065      5.593561      7.540033
  H      -1.760270      4.737767      6.557364
  H      -3.853455      3.563311      8.459998
  H      -2.078496      3.448870      8.642029
  H      -5.690826      0.402736      7.994824
  H      -5.537225      2.123885      8.386304
  H      -3.393340      0.187124      7.368682
  H      -3.362263      1.097823      8.906438
  C      -2.453015      1.315094      3.063621
  C      -3.097207     -0.029290      2.654207
  C      -4.294839      0.097763      1.737354
  N      -4.373244      1.181891      0.963588
  C      -5.433235      1.284094      0.128452
  N      -6.435992      0.433598     -0.018589
  C      -6.369014     -0.702873      0.742823
  C      -7.396402     -1.668390      0.626508
  C      -7.349631     -2.833484      1.370854
  C      -6.275846     -3.072038      2.252868
  C      -5.261688     -2.139993      2.394662
  C      -5.283713     -0.932339      1.651530
  C      -4.271876      5.795774      5.377841
  C      -3.302466      6.564272      4.438057
  C      -3.262903      5.967036      3.063245
  N      -4.319438      6.239927      2.292453
  C      -4.350579      5.687021      1.058116
  N      -3.438202      4.911667      0.492499
  C      -2.332740      4.639415      1.250793
  C      -1.296422      3.848257      0.699413
  C      -0.167797      3.561671      1.444864
  C      -0.040662      4.037843      2.768061
  C      -1.040172      4.809591      3.332649
  C      -2.200311      5.139744      2.588360
  C      -6.789882      1.275782      5.798857
  C      -6.671912      0.208549      4.685555
  C      -7.854531      0.184577      3.771179
  N      -8.009477      1.291600      3.006313
  C      -9.031223      1.323564      2.128161
  N      -9.956978      0.398772      1.942045
  C      -9.856361     -0.724049      2.730081
  C     -10.811926     -1.749193      2.583449
  C     -10.727560     -2.910318      3.344388
  C      -9.682266     -3.075581      4.269321
  C      -8.723813     -2.084527      4.431150
  C      -8.787972     -0.884293      3.678026
  H      -2.863579      2.105452      2.426257
  H      -1.366805      1.280415      2.874423
  H      -3.380915     -0.584098      3.560050
  H      -2.352296     -0.662280      2.137502
  H      -5.454539      2.187854     -0.491323
  H      -8.224178     -1.453143     -0.050138
  H      -8.154062     -3.567327      1.293595
  H      -6.252784     -3.995178      2.834396
  H      -4.438638     -2.338853      3.082329
  H      -5.202251      5.618570      4.822393
  H      -4.509684      6.463022      6.227747
  H      -3.699764      7.584891      4.337730
  H      -2.307059      6.633658      4.896308
  H      -5.239429      5.918441      0.461325
  H      -1.425435      3.473898     -0.316784
  H       0.629420      2.954340      1.012192
  H       0.851976      3.793432      3.346820
  H      -0.933355      5.172322      4.355327
  H      -7.416002      0.892611      6.622176
  H      -7.304991      2.155522      5.384658
  H      -5.788147      0.479959      4.084393
  H      -6.467508     -0.775928      5.124490
  H      -9.081038      2.215927      1.495199
  H     -11.609475     -1.601838      1.853550
  H     -11.474880     -3.695190      3.219463
  H      -9.617541     -3.992358      4.858473
  H      -7.913065     -2.231499      5.145204
  N      -5.162692      3.039115      3.811372
  N      -6.031746      3.196127      2.857035
  H      -5.601787      3.315596      1.929406
  H      -6.854077      2.475929      2.886187
90
Coordinates from ORCA-job orca E -6141.228138450153
  N      -2.697611      1.690916      4.453240
  Mo     -4.199907      2.705564      5.243588
  N      -5.484399      1.658801      6.315764
  C      -5.175366      1.319766      7.698560
  C      -3.670092      1.133481      7.836797
  N      -2.968550      2.228970      7.121188
  C      -1.627151      1.815582      6.638418
  C      -1.779540      1.006893      5.361724
  C      -2.923833      3.485058      7.910738
  C      -2.821697      4.679240      6.973114
  N      -3.815441      4.542698      5.911153
  H      -0.787397      0.904119      4.885684
  H      -2.121961     -0.022251      5.590123
  H      -1.062245      2.731311      6.415517
  H      -1.086131      1.255036      7.421340
  H      -3.007103      5.599527      7.556362
  H      -1.793990      4.768274      6.568001
  H      -3.869302      3.555569      8.466031
  H      -2.092789      3.456612      8.637762
  H      -5.679687      0.382220      7.990918
  H      -5.537728      2.101154      8.396356
  H      -3.383780      0.191198      7.349819
  H      -3.350732      1.091850      8.893094
  C      -2.485964      1.350709      3.048278
  C      -3.116066      0.002767      2.627857
  C      -4.318764      0.126404      1.717429
  N      -4.402319      1.212251      0.945944
  C      -5.464279      1.313125      0.114058
  N      -6.466049      0.460599     -0.031159
  C      -6.393918     -0.677376      0.727413
  C      -7.419515     -1.644720      0.612600
  C      -7.367959     -2.811944      1.354049
  C      -6.290443     -3.050546      2.230939
  C      -5.277082     -2.116701      2.371070
  C      -5.304394     -0.906745      1.631807
  C      -4.275201      5.806074      5.361171
  C      -3.278444      6.548768      4.429952
  C      -3.223473      5.941884      3.059523
  N      -4.272367      6.208101      2.275514
  C      -4.284777      5.656025      1.040758
  N      -3.361488      4.885067      0.486606
  C      -2.266105      4.615560      1.259899
  C      -1.220835      3.826113      0.722931
  C      -0.102044      3.541071      1.483691
  C       0.006786      4.018232      2.808124
  C      -1.001032      4.789548      3.358603
  C      -2.152273      5.117184      2.599088
  C      -6.799476      1.263075      5.808800
  C      -6.676245      0.202682      4.689812
  C      -7.863370      0.170658      3.781433
  N      -8.032910      1.275901      3.017615
  C      -9.062237      1.299322      2.148235
  N      -9.981429      0.366225      1.969189
  C      -9.865167     -0.755349      2.756063
  C     -10.812633     -1.789511      2.616632
  C     -10.711695     -2.949334      3.377048
  C      -9.658169     -3.104904      4.294436
  C      -8.707910     -2.105100      4.449025
  C      -8.788678     -0.905856      3.696083
  H      -2.908569      2.142045      2.420142
  H      -1.400546      1.331093      2.853628
  H      -3.388044     -0.566224      3.528465
  H      -2.364797     -0.613263      2.100269
  H      -5.489165      2.217048     -0.505362
  H      -8.250021     -1.429680     -0.060751
  H      -8.171529     -3.546775      1.277492
  H      -6.262745     -3.975243      2.809800
  H      -4.450806     -2.316287      3.054645
  H      -5.198654      5.634862      4.792609
  H      -4.517012      6.487203      6.199005
  H      -3.657652      7.574920      4.315581
  H      -2.289474      6.607154      4.903063
  H      -5.165909      5.885222      0.431730
  H      -1.335506      3.451102     -0.294754
  H       0.701807      2.934783      1.061962
  H       0.891947      3.775553      3.398983
  H      -0.908172      5.152984      4.382400
  H      -7.419124      0.871548      6.633145
  H      -7.324080      2.139858      5.400322
  H      -5.798751      0.486413      4.085524
  H      -6.459792     -0.782063      5.122181
  H      -9.126229      2.191301      1.516200
  H     -11.616807     -1.649874      1.892549
  H     -11.452129     -3.741596      3.257797
  H      -9.580506     -4.020975      4.883042
  H      -7.890610     -2.244503      5.157043
  N      -5.198597      3.044678      3.820057
  N      -6.067005      3.199486      2.865113
  H      -5.637727      3.324045      1.938031
  H      -6.883248      2.473778      2.893934
90
Coordinates from ORCA-job orca E -6141.228345671318
  N      -2.722559      1.707445      4.444897
  Mo     -4.223095      2.710358      5.246489
  N      -5.493397      1.649379      6.320715
  C      -5.173104      1.300084      7.698383
  C      -3.665398      1.127249      7.826318
  N      -2.979217      2.235523      7.115117
  C      -1.635783      1.841322      6.621987
  C      -1.785682      1.034873      5.343255
  C      -2.945344      3.486055      7.913971
  C      -2.860249      4.688819      6.986016
  N      -3.848276      4.548078      5.919710
  H      -0.796350      0.950517      4.858235
  H      -2.110321     -0.000221      5.570070
  H      -1.084941      2.765425      6.398181
  H      -1.082122      1.285901      7.399710
  H      -3.062294      5.601273      7.576731
  H      -1.832988      4.799173      6.585321
  H      -3.888475      3.540877      8.474925
  H      -2.110644      3.462119      8.636870
  H      -5.667468      0.355534      7.984912
  H      -5.538467      2.071924      8.405131
  H      -3.372067      0.191374      7.331330
  H      -3.339767      1.080970      8.880523
  C      -2.512388      1.381886      3.036039
  C      -3.125542      0.029821      2.602880
  C      -4.335843      0.146903      1.701971
  N      -4.431360      1.235902      0.935777
  C      -5.497920      1.332688      0.110114
  N      -6.495118      0.473822     -0.032867
  C      -6.410910     -0.667006      0.720102
  C      -7.430949     -1.640344      0.607800
  C      -7.368091     -2.810429      1.344704
  C      -6.283618     -3.046065      2.213167
  C      -5.274452     -2.106530      2.350235
  C      -5.313982     -0.893290      1.616917
  C      -4.282380      5.810274      5.345063
  C      -3.260358      6.528145      4.422134
  C      -3.190280      5.915622      3.054262
  N      -4.233803      6.173031      2.259656
  C      -4.224618      5.630462      1.020966
  N      -3.285711      4.874283      0.472305
  C      -2.199845      4.606747      1.259094
  C      -1.143539      3.824803      0.732414
  C      -0.034768      3.538740      1.507311
  C       0.054531      4.010310      2.835181
  C      -0.963157      4.776035      3.375357
  C      -2.106633      5.101730      2.602828
  C      -6.807615      1.247593      5.817064
  C      -6.683480      0.194432      4.691780
  C      -7.875829      0.161227      3.790166
  N      -8.054916      1.266739      3.029813
  C      -9.093717      1.289575      2.171939
  N     -10.011626      0.353519      1.999492
  C      -9.884220     -0.769166      2.782289
  C     -10.828931     -1.807288      2.648921
  C     -10.716769     -2.967444      3.406555
  C      -9.655281     -3.120098      4.315550
  C      -8.707845     -2.117039      4.463622
  C      -8.799198     -0.917498      3.712511
  H      -2.947469      2.173468      2.416891
  H      -1.427758      1.379123      2.837318
  H      -3.381430     -0.556160      3.497342
  H      -2.367405     -0.565072      2.061423
  H      -5.532456      2.238322     -0.506327
  H      -8.266891     -1.427921     -0.059612
  H      -8.168473     -3.548939      1.270290
  H      -6.246164     -3.972787      2.788225
  H      -4.442505     -2.304297      3.027438
  H      -5.198794      5.643241      4.764130
  H      -4.528436      6.505583      6.170085
  H      -3.621514      7.559705      4.296560
  H      -2.277543      6.575704      4.908653
  H      -5.099753      5.855977      0.401835
  H      -1.242659      3.454668     -0.288718
  H       0.776871      2.937263      1.093703
  H       0.932741      3.768640      3.436725
  H      -0.884884      5.135032      4.401881
  H      -7.421504      0.849027      6.642401
  H      -7.339620      2.122878      5.415013
  H      -5.811201      0.486668      4.084549
  H      -6.459659     -0.791938      5.116447
  H      -9.168664      2.183452      1.543782
  H     -11.639587     -1.669896      1.931707
  H     -11.454123     -3.763279      3.292012
  H      -9.569270     -4.036625      4.902181
  H      -7.884351     -2.254174      5.164818
  N      -5.228186      3.044379      3.826899
  N      -6.093822      3.198543      2.869602
  H      -5.664706      3.331555      1.944013
  H      -6.906417      2.471162      2.896476
90
Coordinates from ORCA-job orca E -6141.228504172177
  N      -2.744187      1.715887      4.440333
  Mo     -4.240772      2.714628      5.248162
  N      -5.503112      1.646358      6.323465
  C      -5.176390      1.290190      7.698105
  C      -3.667519      1.125364      7.819744
  N      -2.990634      2.241063      7.111209
  C      -1.646257      1.858078      6.612006
  C      -1.794877      1.051370      5.332581
  C      -2.963443      3.487879      7.916410
  C      -2.889418      4.695986      6.994694
  N      -3.870808      4.552257      5.922883
  H      -0.807630      0.978844      4.841822
  H      -2.108157      0.012761      5.558895
  H      -1.104312      2.786876      6.385910
  H      -1.084653      1.307487      7.387467
  H      -3.104271      5.603441      7.589161
  H      -1.861948      4.821434      6.599270
  H      -3.904418      3.532049      8.481917
  H      -2.126061      3.467032      8.636225
  H      -5.664395      0.341067      7.980222
  H      -5.544429      2.055712      8.410262
  H      -3.370515      0.193213      7.319967
  H      -3.337606      1.075792      8.872480
  C      -2.535675      1.400001      3.028773
  C      -3.142813      0.048005      2.587448
  C      -4.355790      0.168625      1.690523
  N      -4.448119      1.259343      0.925726
  C      -5.513279      1.360031      0.099617
  N      -6.513696      0.504733     -0.044533
  C      -6.433440     -0.636981      0.707450
  C      -7.456984     -1.606404      0.594447
  C      -7.398447     -2.777796      1.329904
  C      -6.314604     -3.018564      2.197573
  C      -5.301441     -2.083210      2.334976
  C      -5.336559     -0.868602      1.603575
  C      -4.285015      5.813647      5.329810
  C      -3.242200      6.509539      4.414455
  C      -3.158601      5.894409      3.047883
  N      -4.197343      6.144135      2.244042
  C      -4.165579      5.616678      0.999608
  N      -3.209852      4.879995      0.453200
  C      -2.134616      4.610316      1.253251
  C      -1.068186      3.836404      0.734989
  C       0.029565      3.544640      1.523402
  C       0.098786      4.005567      2.856237
  C      -0.928118      4.764874      3.388100
  C      -2.062689      5.093183      2.603074
  C      -6.815630      1.236721      5.821998
  C      -6.687140      0.184562      4.696055
  C      -7.882987      0.142646      3.799357
  N      -8.072619      1.243360      3.035169
  C      -9.118028      1.255995      2.184781
  N     -10.029479      0.312181      2.019934
  C      -9.889391     -0.806768      2.805254
  C     -10.825544     -1.853922      2.678869
  C     -10.701082     -3.009449      3.441136
  C      -9.636093     -3.148703      4.348553
  C      -8.696977     -2.137103      4.489383
  C      -8.800123     -0.942306      3.732146
  H      -2.975723      2.192981      2.414869
  H      -1.451566      1.404661      2.827887
  H      -3.391119     -0.548169      3.477227
  H      -2.382414     -0.535836      2.037168
  H      -5.544730      2.265691     -0.517124
  H      -8.291949     -1.390613     -0.073186
  H      -8.202164     -3.512493      1.253955
  H      -6.279834     -3.946099      2.771581
  H      -4.469862     -2.285515      3.011305
  H      -5.196274      5.650926      4.739661
  H      -4.533093      6.519872      6.144945
  H      -3.585931      7.546267      4.280431
  H      -2.264716      6.546429      4.912265
  H      -5.034868      5.839551      0.371288
  H      -1.152056      3.475826     -0.290982
  H       0.848234      2.948121      1.116462
  H       0.969276      3.761769      3.468127
  H      -0.864604      5.115573      4.418484
  H      -7.425160      0.834028      6.648607
  H      -7.354149      2.108562      5.421223
  H      -5.819143      0.482639      4.085586
  H      -6.455409     -0.800518      5.119453
  H      -9.205941      2.148075      1.555979
  H     -11.639472     -1.726550      1.963478
  H     -11.430980     -3.812987      3.332192
  H      -9.541183     -4.061541      4.939565
  H      -7.870621     -2.263532      5.189274
  N      -5.251115      3.044675      3.831796
  N      -6.114942      3.198522      2.873303
  H      -5.685769      3.337578      1.948806
  H      -6.920931      2.467003      2.896671
90
Coordinates from ORCA-job orca E -6141.228673599128
  N      -2.757360      1.733435      4.424277
  Mo     -4.255782      2.715485      5.243427
  N      -5.502019      1.629630      6.319382
  C      -5.162985      1.261477      7.687906
  C      -3.651581      1.114934      7.799120
  N      -2.993975      2.246498      7.097411
  C      -1.646482      1.888012      6.589042
  C      -1.788373      1.083671      5.306827
  C      -2.983124      3.486640      7.913545
  C      -2.930294      4.704546      7.003435
  N      -3.902598      4.553684      5.924833
  H      -0.803427      1.033108      4.809082
  H      -2.080350      0.038286      5.529950
  H      -1.121906      2.826695      6.362884
  H      -1.070979      1.344749      7.359464
  H      -3.166257      5.601978      7.605631
  H      -1.903590      4.856307      6.615227
  H      -3.921893      3.509888      8.483907
  H      -2.142823      3.472841      8.630016
  H      -5.637723      0.303249      7.961697
  H      -5.536731      2.014148      8.410702
  H      -3.344892      0.191448      7.289326
  H      -3.314850      1.059584      8.849444
  C      -2.551944      1.430986      3.009090
  C      -3.141663      0.074313      2.558922
  C      -4.365078      0.187001      1.675330
  N      -4.470353      1.278721      0.913283
  C      -5.540784      1.373115      0.093789
  N      -6.536113      0.511014     -0.045530
  C      -6.443436     -0.630978      0.704637
  C      -7.461446     -1.606745      0.597544
  C      -7.390708     -2.778556      1.331375
  C      -6.299598     -3.013572      2.191285
  C      -5.291217     -2.072195      2.322518
  C      -5.338868     -0.856834      1.593130
  C      -4.302372      5.811095      5.312425
  C      -3.242470      6.488263      4.403864
  C      -3.138191      5.862082      3.043209
  N      -4.171655      6.091002      2.225903
  C      -4.110960      5.569967      0.980250
  N      -3.132397      4.855285      0.444495
  C      -2.068251      4.596040      1.262397
  C      -0.985754      3.833044      0.761350
  C       0.100193      3.547674      1.568419
  C       0.142347      4.007420      2.902711
  C      -0.899595      4.758050      3.417463
  C      -2.024193      5.077266      2.614242
  C      -6.816499      1.217772      5.824863
  C      -6.695822      0.175904      4.688678
  C      -7.902438      0.138816      3.805941
  N      -8.102233      1.242757      3.049757
  C      -9.161196      1.260527      2.216415
  N     -10.073885      0.316664      2.058300
  C      -9.921538     -0.806988      2.834227
  C     -10.858056     -1.854962      2.714130
  C     -10.723941     -3.012856      3.470635
  C      -9.648682     -3.154205      4.365958
  C      -8.708717     -2.142756      4.499559
  C      -8.820840     -0.945725      3.746969
  H      -3.006205      2.221830      2.402770
  H      -1.469047      1.452884      2.802900
  H      -3.368904     -0.537624      3.443523
  H      -2.377120     -0.488226      1.992509
  H      -5.582688      2.279054     -0.521951
  H      -8.301932     -1.396147     -0.064774
  H      -8.190677     -3.517506      1.259284
  H      -6.254714     -3.941285      2.764262
  H      -4.453821     -2.270352      2.992823
  H      -5.207002      5.646699      4.712665
  H      -4.556492      6.528300      6.116023
  H      -3.575229      7.526839      4.255036
  H      -2.271744      6.524844      4.914495
  H      -4.974970      5.778480      0.339595
  H      -1.048696      3.474184     -0.266740
  H       0.930232      2.957699      1.175294
  H       1.004230      3.770544      3.529313
  H      -0.855987      5.107946      4.449058
  H      -7.417211      0.805969      6.653473
  H      -7.362020      2.090672      5.436085
  H      -5.835402      0.481289      4.071239
  H      -6.457375     -0.812440      5.100431
  H      -9.260960      2.157627      1.596406
  H     -11.680611     -1.725176      2.009152
  H     -11.453899     -3.817240      3.367512
  H      -9.547255     -4.068578      4.953433
  H      -7.875006     -2.270491      5.190406
  N      -5.275570      3.038883      3.832149
  N      -6.140969      3.192211      2.875599
  H      -5.718703      3.342408      1.949890
  H      -6.949715      2.467451      2.903726
90
Coordinates from ORCA-job orca E -6141.228817972779
  N      -2.767528      1.747645      4.400396
  Mo     -4.267233      2.714703      5.231776
  N      -5.498684      1.613438      6.309213
  C      -5.146928      1.234607      7.671627
  C      -3.633354      1.104338      7.771846
  N      -2.993825      2.249930      7.076222
  C      -1.644154      1.914091      6.558503
  C      -1.780378      1.112116      5.273583
  C      -2.997448      3.483499      7.902641
  C      -2.964316      4.709979      7.003320
  N      -3.929295      4.552939      5.919299
  H      -0.797940      1.081757      4.769412
  H      -2.052125      0.060645      5.493644
  H      -1.135971      2.861671      6.331792
  H      -1.055252      1.378004      7.323867
  H      -3.217935      5.598033      7.612554
  H      -1.938815      4.884422      6.621134
  H      -3.933704      3.487395      8.477607
  H      -2.154211      3.475693      8.615706
  H      -5.608886      0.267983      7.937788
  H      -5.525356      1.974951      8.404735
  H      -3.318921      0.189030      7.252174
  H      -3.289003      1.043476      8.819440
  C      -2.568833      1.455650      2.982054
  C      -3.146978      0.095421      2.529005
  C      -4.381153      0.203061      1.659745
  N      -4.497338      1.295382      0.899949
  C      -5.573743      1.386031      0.088146
  N      -6.566234      0.519780     -0.044864
  C      -6.463645     -0.621863      0.704715
  C      -7.478929     -1.601318      0.605319
  C      -7.398390     -2.772784      1.338382
  C      -6.300067     -3.004044      2.190247
  C      -5.294269     -2.059297      2.313762
  C      -5.351568     -0.844108      1.584829
  C      -4.322720      5.806726      5.295177
  C      -3.251195      6.472280      4.393464
  C      -3.120125      5.833401      3.040643
  N      -4.144502      6.037838      2.205204
  C      -4.048301      5.520864      0.960366
  N      -3.042100      4.832917      0.440300
  C      -1.991129      4.590057      1.279941
  C      -0.885114      3.846960      0.800192
  C       0.186166      3.573038      1.630850
  C       0.190707      4.027778      2.967495
  C      -0.872984      4.762414      3.460589
  C      -1.984427      5.068014      2.633803
  C      -6.815908      1.198515      5.824262
  C      -6.704323      0.161089      4.682832
  C      -7.919915      0.127052      3.812251
  N      -8.125009      1.230865      3.057736
  C      -9.194290      1.250760      2.237359
  N     -10.109323      0.307923      2.087747
  C      -9.950083     -0.816441      2.861104
  C     -10.888780     -1.863597      2.749714
  C     -10.750626     -3.020107      3.507315
  C      -9.668738     -3.161022      4.395107
  C      -8.725969     -2.151122      4.519150
  C      -8.841481     -0.955737      3.764071
  H      -3.036694      2.243744      2.382413
  H      -1.487782      1.491061      2.768100
  H      -3.354913     -0.526935      3.410937
  H      -2.382606     -0.452370      1.947887
  H      -5.624167      2.292167     -0.526797
  H      -8.324898     -1.394317     -0.051192
  H      -8.196538     -3.514119      1.271623
  H      -6.247322     -3.931410      2.763157
  H      -4.451224     -2.254572      2.977832
  H      -5.221694      5.638618      4.687916
  H      -4.583613      6.530766      6.090390
  H      -3.580822      7.509671      4.228098
  H      -2.288068      6.516895      4.917680
  H      -4.904522      5.710840      0.303539
  H      -0.919048      3.492399     -0.230910
  H       1.033348      2.996415      1.254787
  H       1.041574      3.801512      3.612883
  H      -0.856901      5.109578      4.493905
  H      -7.406970      0.780909      6.656889
  H      -7.368060      2.071261      5.444632
  H      -5.849524      0.468147      4.058190
  H      -6.462379     -0.828877      5.088651
  H      -9.301676      2.149471      1.620943
  H     -11.717060     -1.733290      2.051513
  H     -11.482226     -3.824113      3.411797
  H      -9.565145     -4.073928      4.984551
  H      -7.887740     -2.278171      5.204707
  N      -5.296418      3.035473      3.826954
  N      -6.164549      3.190266      2.873356
  H      -5.745111      3.345806      1.947368
  H      -6.968484      2.463822      2.901611
90
Coordinates from ORCA-job orca E -6141.228967842681
  N      -2.767963      1.756710      4.372509
  Mo     -4.270672      2.709735      5.213700
  N      -5.490720      1.596585      6.292133
  C      -5.128174      1.206853      7.648766
  C      -3.612935      1.091614      7.739821
  N      -2.989758      2.250065      7.050816
  C      -1.637638      1.934886      6.526681
  C      -1.766436      1.134668      5.239193
  C      -3.008445      3.477508      7.886329
  C      -2.991150      4.710879      6.995788
  N      -3.947523      4.548142      5.905114
  H      -0.785287      1.122726      4.731610
  H      -2.019809      0.077850      5.455908
  H      -1.144087      2.890077      6.299513
  H      -1.037443      1.405895      7.288260
  H      -3.259499      5.591375      7.609767
  H      -1.966172      4.902627      6.620266
  H      -3.943352      3.463865      8.463311
  H      -2.164052      3.475430      8.598092
  H      -5.578086      0.232230      7.906588
  H      -5.511711      1.934728      8.391753
  H      -3.291776      0.184473      7.210044
  H      -3.261700      1.024578      8.784791
  C      -2.576429      1.470319      2.952176
  C      -3.152063      0.108947      2.500428
  C      -4.396624      0.214914      1.645422
  N      -4.521991      1.307797      0.888023
  C      -5.604119      1.396147      0.083409
  N      -6.594197      0.526729     -0.044519
  C      -6.483755     -0.614375      0.704851
  C      -7.497151     -1.596554      0.611893
  C      -7.408701     -2.767413      1.344357
  C      -6.304947     -2.995460      2.190444
  C      -5.301325     -2.048216      2.307563
  C      -5.365802     -0.833765      1.577990
  C      -4.346558      5.798788      5.277338
  C      -3.272550      6.463356      4.379743
  C      -3.108972      5.807749      3.038421
  N      -4.122440      5.980825      2.182493
  C      -3.987659      5.462618      0.941896
  N      -2.951284      4.804465      0.442689
  C      -1.913917      4.586817      1.306000
  C      -0.781383      3.868123      0.852022
  C       0.273938      3.611389      1.708639
  C       0.235895      4.062674      3.045898
  C      -0.852624      4.778029      3.512859
  C      -1.949288      5.064276      2.659579
  C      -6.812333      1.183100      5.817618
  C      -6.712540      0.152326      4.668699
  C      -7.939780      0.120266      3.814619
  N      -8.153935      1.224179      3.063157
  C      -9.235155      1.244474      2.258012
  N     -10.151346      0.301279      2.118743
  C      -9.982385     -0.823288      2.889806
  C     -10.923172     -1.870000      2.791094
  C     -10.779100     -3.023824      3.551582
  C      -9.688292     -3.162625      4.429264
  C      -8.742431     -2.154081      4.539405
  C      -8.863482     -0.961655      3.780104
  H      -3.052691      2.256715      2.356946
  H      -1.496867      1.511665      2.730761
  H      -3.344797     -0.518881      3.381751
  H      -2.392283     -0.431605      1.906398
  H      -5.661805      2.302688     -0.530271
  H      -8.347187     -1.392744     -0.040408
  H      -8.204865     -3.511020      1.281188
  H      -6.246200     -3.922352      2.763603
  H      -4.454076     -2.240643      2.967131
  H      -5.241693      5.623987      4.666214
  H      -4.614955      6.523991      6.068890
  H      -3.610341      7.494885      4.193510
  H      -2.317804      6.529084      4.917050
  H      -4.836241      5.625316      0.267749
  H      -0.783205      3.516651     -0.180664
  H       1.140880      3.051495      1.352848
  H       1.074089      3.850624      3.712440
  H      -0.867954      5.123400      4.546876
  H      -7.393783      0.758669      6.653502
  H      -7.369058      2.057891      5.449591
  H      -5.866122      0.463620      4.034539
  H      -6.463995     -0.839216      5.066821
  H      -9.352389      2.144917      1.645708
  H     -11.759074     -1.740183      2.101878
  H     -11.512964     -3.827308      3.467525
  H      -9.581379     -4.072706      5.022540
  H      -7.898253     -2.278815      5.218181
  N      -5.309414      3.028311      3.815217
  N      -6.184214      3.185363      2.868117
  H      -5.772400      3.347688      1.939232
  H      -6.990480      2.466123      2.902320
90
Coordinates from ORCA-job orca E -6141.229113972475
  N      -2.753765      1.760426      4.338674
  Mo     -4.264944      2.696415      5.188225
  N      -5.475220      1.572934      6.269144
  C      -5.101200      1.171874      7.619115
  C      -3.584458      1.073505      7.701331
  N      -2.978903      2.245168      7.019712
  C      -1.623021      1.952757      6.492383
  C      -1.739630      1.154821      5.201696
  C      -3.016871      3.467247      7.862196
  C      -3.011369      4.705949      6.978377
  N      -3.958058      4.536216      5.880154
  H      -0.758310      1.163679      4.694087
  H      -1.971630      0.091983      5.414019
  H      -1.144850      2.916059      6.266820
  H      -1.012633      1.431241      7.251058
  H      -3.292720      5.580120      7.595080
  H      -1.985950      4.910465      6.610419
  H      -3.953744      3.436976      8.435259
  H      -2.175169      3.471357      8.577191
  H      -5.536977      0.188073      7.866824
  H      -5.491185      1.884626      8.373480
  H      -3.255385      0.175719      7.160552
  H      -3.226412      1.000787      8.743597
  C      -2.569838      1.473624      2.917832
  C      -3.149637      0.111891      2.474774
  C      -4.404195      0.219801      1.633946
  N      -4.536265      1.312884      0.878446
  C      -5.624716      1.401611      0.081633
  N      -6.614578      0.532029     -0.039909
  C      -6.499203     -0.608020      0.710598
  C      -7.513973     -1.589737      0.625824
  C      -7.420291     -2.759343      1.358273
  C      -6.310896     -2.986974      2.197911
  C      -5.306833     -2.040482      2.306857
  C      -5.375599     -0.827366      1.575581
  C      -4.376961      5.782389      5.257155
  C      -3.313368      6.462957      4.359954
  C      -3.109584      5.789318      3.033262
  N      -4.110045      5.922255      2.155026
  C      -3.936453      5.389119      0.925526
  N      -2.869420      4.760042      0.454202
  C      -1.843719      4.583820      1.341099
  C      -0.680780      3.895295      0.918304
  C       0.360257      3.671235      1.801468
  C       0.277191      4.128770      3.134276
  C      -0.840060      4.819777      3.569484
  C      -1.923443      5.071344      2.688949
  C      -6.803986      1.165028      5.809345
  C      -6.722578      0.138344      4.654854
  C      -7.961891      0.113077      3.818817
  N      -8.178830      1.219097      3.071379
  C      -9.270090      1.245786      2.279414
  N     -10.192053      0.307569      2.148860
  C     -10.020788     -0.818589      2.917849
  C     -10.969754     -1.858500      2.830782
  C     -10.827337     -3.011404      3.593318
  C      -9.728772     -3.155657      4.460611
  C      -8.773676     -2.154362      4.558134
  C      -8.893057     -0.963154      3.796097
  H      -3.052095      2.257042      2.323561
  H      -1.491792      1.515693      2.688513
  H      -3.331957     -0.513741      3.359563
  H      -2.399258     -0.432115      1.871521
  H      -5.687716      2.309204     -0.529970
  H      -8.368100     -1.386866     -0.021427
  H      -8.216347     -3.503359      1.300585
  H      -6.248901     -3.913106      2.771920
  H      -4.455643     -2.231400      2.961735
  H      -5.269566      5.594382      4.646092
  H      -4.656378      6.502110      6.049673
  H      -3.678266      7.480659      4.149708
  H      -2.368650      6.568809      4.909149
  H      -4.778155      5.511658      0.234448
  H      -0.648326      3.538677     -0.112087
  H       1.250397      3.133246      1.470090
  H       1.103814      3.942465      3.822638
  H      -0.887430      5.171867      4.600578
  H      -7.375054      0.736614      6.650200
  H      -7.362458      2.043787      5.453609
  H      -5.883790      0.448820      4.009768
  H      -6.471300     -0.854948      5.047026
  H      -9.390364      2.148723      1.671293
  H     -11.811970     -1.723355      2.150308
  H     -11.568630     -3.809203      3.519723
  H      -9.624100     -4.064251      5.056636
  H      -7.924395     -2.282872      5.229904
  N      -5.313439      3.014349      3.797168
  N      -6.198337      3.174551      2.859531
  H      -5.791675      3.329397      1.926714
  H      -7.006298      2.460730      2.902154
90
Coordinates from ORCA-job orca E -6141.229201276474
  N      -2.740531      1.763496      4.311431
  Mo     -4.258616      2.688018      5.164944
  N      -5.462512      1.558299      6.248175
  C      -5.079741      1.147429      7.592668
  C      -3.561869      1.061463      7.668386
  N      -2.969071      2.242777      6.992817
  C      -1.610134      1.967492      6.464177
  C      -1.717491      1.170974      5.171818
  C      -3.021981      3.460431      7.840127
  C      -3.022180      4.702308      6.960744
  N      -3.961739      4.528366      5.857089
  H      -0.736523      1.195568      4.663770
  H      -1.933246      0.104070      5.381618
  H      -1.143159      2.936598      6.240135
  H      -0.992852      1.451187      7.220802
  H      -3.311599      5.572740      7.578589
  H      -1.996376      4.913259      6.597641
  H      -3.962137      3.419707      8.406977
  H      -2.184394      3.468615      8.559920
  H      -5.505033      0.156852      7.831999
  H      -5.474323      1.848147      8.355913
  H      -3.227701      0.170977      7.118701
  H      -3.198722      0.983779      8.708487
  C      -2.564746      1.469973      2.891300
  C      -3.153457      0.108935      2.458305
  C      -4.412043      0.218878      1.623291
  N      -4.545433      1.310706      0.866519
  C      -5.636293      1.399402      0.072607
  N      -6.627100      0.530704     -0.044709
  C      -6.511088     -0.607820      0.708244
  C      -7.527432     -1.588502      0.628353
  C      -7.431861     -2.757254      1.361510
  C      -6.320240     -2.984605      2.198512
  C      -5.315504     -2.038786      2.303177
  C      -5.385334     -0.827016      1.569848
  C      -4.397169      5.772654      5.242229
  C      -3.340777      6.472810      4.352360
  C      -3.104889      5.790582      3.035860
  N      -4.092010      5.902645      2.140037
  C      -3.893474      5.356295      0.920245
  N      -2.811262      4.736565      0.472790
  C      -1.797332      4.584144      1.377411
  C      -0.619419      3.906854      0.979777
  C       0.409084      3.701976      1.882052
  C       0.298229      4.170044      3.209069
  C      -0.833815      4.852475      3.619183
  C      -1.905093      5.083251      2.718840
  C      -6.797090      1.156398      5.799930
  C      -6.728672      0.133416      4.641000
  C      -7.977014      0.109325      3.818727
  N      -8.199603      1.215228      3.072854
  C      -9.298054      1.242268      2.290672
  N     -10.222393      0.305483      2.169605
  C     -10.047155     -0.818917      2.940370
  C     -11.001388     -1.854858      2.867461
  C     -10.857254     -3.004344      3.634901
  C      -9.750504     -3.149502      4.491612
  C      -8.789534     -2.152411      4.574430
  C      -8.911460     -0.964208      3.808116
  H      -3.047588      2.252337      2.295840
  H      -1.487816      1.506701      2.655654
  H      -3.334876     -0.510092      3.347908
  H      -2.410546     -0.443972      1.853886
  H      -5.699663      2.305985     -0.540473
  H      -8.382908     -1.386145     -0.017220
  H      -8.227438     -3.501825      1.306242
  H      -6.257468     -3.910125      2.773331
  H      -4.462825     -2.228448      2.956410
  H      -5.285722      5.576801      4.627703
  H      -4.687590      6.483085      6.039091
  H      -3.728304      7.478829      4.127275
  H      -2.406662      6.607718      4.913614
  H      -4.726834      5.457327      0.215822
  H      -0.566047      3.542625     -0.046874
  H       1.311118      3.172455      1.569904
  H       1.115043      3.999129      3.912904
  H      -0.900666      5.213886      4.646093
  H      -7.361419      0.725519      6.643994
  H      -7.355917      2.038573      5.453345
  H      -5.897213      0.446641      3.988054
  H      -6.472137     -0.860410      5.028589
  H      -9.422188      2.144782      1.682857
  H     -11.849989     -1.718715      2.195226
  H     -11.604097     -3.798074      3.574036
  H      -9.644878     -4.055139      5.091887
  H      -7.934524     -2.281030      5.238875
  N      -5.315277      3.004838      3.779060
  N      -6.209211      3.166604      2.849735
  H      -5.808329      3.315006      1.912651
  H      -7.021319      2.459239      2.900811
90
Coordinates from ORCA-job orca E -6141.229288805162
  N      -2.731620      1.770788      4.276513
  Mo     -4.257215      2.678166      5.138325
  N      -5.448032      1.538818      6.228594
  C      -5.048637      1.112796      7.562997
  C      -3.529166      1.046343      7.625740
  N      -2.957840      2.242545      6.958579
  C      -1.595724      1.994790      6.424563
  C      -1.691767      1.200094      5.130096
  C      -3.033179      3.453286      7.813445
  C      -3.044915      4.700952      6.942201
  N      -3.974185      4.520677      5.830811
  H      -0.713799      1.250010      4.617873
  H      -1.880390      0.127260      5.336856
  H      -1.147901      2.973101      6.201721
  H      -0.965748      1.487417      7.176753
  H      -3.349542      5.563386      7.563672
  H      -2.019667      4.926844      6.587301
  H      -3.977689      3.395486      8.371374
  H      -2.201521      3.468088      8.539959
  H      -5.457757      0.112371      7.789930
  H      -5.447481      1.794878      8.340870
  H      -3.187190      0.167211      7.062735
  H      -3.156905      0.962305      8.662100
  C      -2.568952      1.467815      2.856784
  C      -3.167361      0.106975      2.436239
  C      -4.429734      0.218290      1.606341
  N      -4.564045      1.308721      0.847908
  C      -5.657033      1.397566      0.056524
  N      -6.649710      0.530679     -0.055485
  C      -6.533528     -0.606298      0.700019
  C      -7.552416     -1.584829      0.625826
  C      -7.455648     -2.753054      1.359555
  C      -6.341118     -2.981475      2.192456
  C      -5.334374     -2.037280      2.291919
  C      -5.405010     -0.826437      1.557329
  C      -4.420536      5.761286      5.218381
  C      -3.367297      6.482029      4.340528
  C      -3.089562      5.791339      3.036714
  N      -4.057953      5.876890      2.117971
  C      -3.827010      5.312157      0.912218
  N      -2.727080      4.700903      0.497914
  C      -1.729649      4.579565      1.425140
  C      -0.533202      3.914832      1.062524
  C       0.478470      3.738688      1.989483
  C       0.333391      4.227132      3.305721
  C      -0.816706      4.899640      3.680766
  C      -1.872958      5.097688      2.755873
  C      -6.789785      1.143921      5.796923
  C      -6.737163      0.124833      4.633977
  C      -7.994752      0.102748      3.826671
  N      -8.222352      1.208484      3.082373
  C      -9.327534      1.236659      2.309877
  N     -10.254719      0.301626      2.198661
  C     -10.076093     -0.821029      2.971391
  C     -11.035476     -1.852967      2.912635
  C     -10.888631     -2.999661      3.683849
  C      -9.773241     -3.146534      4.528833
  C      -8.806811     -2.153619      4.597203
  C      -8.932383     -0.967675      3.828157
  H      -3.054101      2.248027      2.260087
  H      -1.494097      1.499091      2.611747
  H      -3.348531     -0.503568      3.331891
  H      -2.432285     -0.456753      1.832394
  H      -5.719827      2.302795     -0.558654
  H      -8.409663     -1.381826     -0.017129
  H      -8.251842     -3.497185      1.307974
  H      -6.277996     -3.906669      2.767666
  H      -4.479522     -2.226727      2.942319
  H      -5.300760      5.555692      4.595164
  H      -4.727453      6.464234      6.015832
  H      -3.779857      7.473626      4.097584
  H      -2.448329      6.648962      4.918263
  H      -4.647460      5.387938      0.189850
  H      -0.451940      3.536329      0.042806
  H       1.395038      3.219043      1.704318
  H       1.138305      4.081141      4.028560
  H      -0.907044      5.279874      4.698895
  H      -7.345371      0.711742      6.646074
  H      -7.349279      2.029715      5.460812
  H      -5.914021      0.441030      3.972510
  H      -6.475061     -0.869799      5.015750
  H      -9.454806      2.138648      1.701953
  H     -11.890640     -1.715695      2.249084
  H     -11.640483     -3.789444      3.635180
  H      -9.665481     -4.050108      5.131760
  H      -7.945218     -2.283404      5.252843
  N      -5.325268      2.990702      3.760614
  N      -6.229142      3.153539      2.839903
  H      -5.831904      3.280869      1.898221
  H      -7.043937      2.450406      2.903172
90
Coordinates from ORCA-job orca E -6141.229372164521
  N      -2.732374      1.783638      4.250176
  Mo     -4.261842      2.677890      5.118967
  N      -5.442200      1.530489      6.213934
  C      -5.028909      1.088099      7.538355
  C      -3.508443      1.036974      7.590174
  N      -2.954105      2.245961      6.932307
  C      -1.589878      2.021524      6.393167
  C      -1.677633      1.230037      5.095985
  C      -3.047055      3.449419      7.795302
  C      -3.065218      4.702822      6.932486
  N      -3.984929      4.521105      5.813150
  H      -0.703782      1.302259      4.578561
  H      -1.843360      0.152599      5.298793
  H      -1.158402      3.007499      6.172257
  H      -0.949541      1.520731      7.140949
  H      -3.383022      5.557944      7.557529
  H      -2.040230      4.941076      6.586269
  H      -3.996045      3.378603      8.343907
  H      -2.221721      3.467440      8.528853
  H      -5.425637      0.079784      7.752477
  H      -5.430065      1.753244      8.329580
  H      -3.160848      0.168157      7.014789
  H      -3.128862      0.945522      8.623225
  C      -2.583192      1.471726      2.830512
  C      -3.190053      0.111180      2.419735
  C      -4.452297      0.221195      1.589072
  N      -4.588050      1.310539      0.829072
  C      -5.681486      1.397133      0.038107
  N      -6.674646      0.530088     -0.070307
  C      -6.556748     -0.606195      0.686030
  C      -7.575791     -1.584713      0.615415
  C      -7.476844     -2.753000      1.349474
  C      -6.359574     -2.981202      2.178282
  C      -5.352374     -2.036455      2.274462
  C      -5.425932     -0.825434      1.540602
  C      -4.428003      5.761888      5.199868
  C      -3.366861      6.493876      4.339402
  C      -3.060858      5.801235      3.042868
  N      -4.013180      5.878223      2.106920
  C      -3.762252      5.301497      0.910884
  N      -2.657326      4.682589      0.522751
  C      -1.674610      4.573160      1.466512
  C      -0.472981      3.903453      1.131078
  C       0.525886      3.743140      2.074464
  C       0.363657      4.254377      3.380062
  C      -0.792717      4.930278      3.728848
  C      -1.837696      5.109035      2.787808
  C      -6.788338      1.139672      5.793498
  C      -6.744724      0.121487      4.629669
  C      -8.008046      0.095098      3.831971
  N      -8.243689      1.197129      3.084849
  C      -9.353896      1.218970      2.319632
  N     -10.280022      0.281320      2.220136
  C     -10.094648     -0.835905      2.998632
  C     -11.053536     -1.869205      2.954751
  C     -10.898168     -3.010992      3.731442
  C      -9.774726     -3.152261      4.566431
  C      -8.808881     -2.158026      4.620032
  C      -8.943725     -0.976400      3.846342
  H      -3.069067      2.251350      2.233316
  H      -1.510330      1.497286      2.577140
  H      -3.375313     -0.491341      3.320277
  H      -2.458344     -0.461696      1.820795
  H      -5.744378      2.300542     -0.579661
  H      -8.434741     -1.381830     -0.025203
  H      -8.272864     -3.497541      1.300758
  H      -6.294676     -3.906502      2.753030
  H      -4.495344     -2.225144      2.922170
  H      -5.298459      5.555311      4.563514
  H      -4.748762      6.460054      5.996358
  H      -3.789276      7.478769      4.087357
  H      -2.459918      6.672289      4.932255
  H      -4.569726      5.371738      0.173806
  H      -0.377031      3.509064      0.118725
  H       1.446772      3.220260      1.809940
  H       1.159952      4.123195      4.115089
  H      -0.895462      5.329806      4.737925
  H      -7.338795      0.709003      6.646794
  H      -7.348521      2.026771      5.462172
  H      -5.928407      0.441496      3.962353
  H      -6.476209     -0.872501      5.008559
  H      -9.486845      2.116713      1.706961
  H     -11.914792     -1.737118      2.298160
  H     -11.649951     -3.801362      3.694681
  H      -9.659994     -4.052507      5.172914
  H      -7.940624     -2.283433      5.267623
  N      -5.338595      2.986210      3.746782
  N      -6.247948      3.148845      2.830251
  H      -5.852699      3.265092      1.886071
  H      -7.063032      2.445304      2.898234
90
Coordinates from ORCA-job orca E -6141.229442021637
  N      -2.743090      1.799360      4.225355
  Mo     -4.272193      2.681829      5.104067
  N      -5.438575      1.526084      6.205923
  C      -5.008565      1.066443      7.518750
  C      -3.487266      1.031629      7.556703
  N      -2.951749      2.253536      6.907418
  C      -1.587322      2.052835      6.359563
  C      -1.669653      1.264706      5.059615
  C      -3.059496      3.449562      7.779371
  C      -3.088934      4.709427      6.926174
  N      -4.000509      4.525423      5.800489
  H      -0.702603      1.361436      4.533596
  H      -1.810317      0.182869      5.257962
  H      -1.173871      3.046503      6.139328
  H      -0.934527      1.559663      7.101575
  H      -3.421604      5.555606      7.555992
  H      -2.065732      4.964221      6.587164
  H      -4.009924      3.364393      8.323398
  H      -2.237164      3.471219      8.516116
  H      -5.392450      0.050502      7.720122
  H      -5.410033      1.714331      8.324031
  H      -3.134864      0.173336      6.968616
  H      -3.098307      0.932789      8.585616
  C      -2.609588      1.479461      2.804925
  C      -3.223166      0.118730      2.403077
  C      -4.483785      0.226254      1.569319
  N      -4.620878      1.315185      0.808449
  C      -5.714146      1.399490      0.017222
  N      -6.707666      0.532103     -0.088709
  C      -6.588170     -0.603966      0.667647
  C      -7.607082     -1.582547      0.599383
  C      -7.506565     -2.751387      1.333239
  C      -6.386770     -2.979974      2.157993
  C      -5.378921     -2.034712      2.251923
  C      -5.455080     -0.822777      1.519809
  C      -4.434460      5.764837      5.179163
  C      -3.361509      6.498000      4.332979
  C      -3.028790      5.798220      3.046325
  N      -3.965023      5.860390      2.093012
  C      -3.688982      5.274154      0.906950
  N      -2.575733      4.653347      0.546191
  C      -1.609053      4.559306      1.507700
  C      -0.398481      3.890951      1.201482
  C       0.586255      3.750682      2.162749
  C       0.401610      4.281810      3.457443
  C      -0.764244      4.955417      3.777925
  C      -1.796524      5.111886      2.818864
  C      -6.787572      1.136092      5.796078
  C      -6.750439      0.118479      4.632220
  C      -8.018570      0.087906      3.843096
  N      -8.264093      1.188021      3.096716
  C      -9.380005      1.204486      2.339979
  N     -10.303184      0.262476      2.249039
  C     -10.107626     -0.852584      3.027658
  C     -11.062381     -1.890529      2.993355
  C     -10.894716     -3.030466      3.770030
  C      -9.763841     -3.165653      4.595911
  C      -8.802502     -2.166912      4.640180
  C      -8.949681     -0.986998      3.866414
  H      -3.097731      2.258293      2.208414
  H      -1.539108      1.500792      2.542037
  H      -3.413177     -0.476408      3.307822
  H      -2.492501     -0.461552      1.810349
  H      -5.777319      2.301168     -0.603012
  H      -8.467567     -1.379391     -0.039107
  H      -8.303140     -3.495549      1.286581
  H      -6.320053     -3.905765      2.731799
  H      -4.519737     -2.223722      2.896719
  H      -5.294457      5.556280      4.529449
  H      -4.768016      6.464643      5.969216
  H      -3.788195      7.477743      4.068842
  H      -2.465319      6.684695      4.938923
  H      -4.481209      5.337502      0.152974
  H      -0.282907      3.482896      0.196362
  H       1.513944      3.228879      1.920654
  H       1.188017      4.168311      4.205943
  H      -0.884817      5.371580      4.778108
  H      -7.332704      0.707246      6.653812
  H      -7.349923      2.022835      5.467783
  H      -5.940510      0.442505      3.959665
  H      -6.475791     -0.874992      5.007819
  H      -9.522064      2.100854      1.727227
  H     -11.929639     -1.763777      2.343642
  H     -11.642709     -3.824696      3.740322
  H      -9.639361     -4.064942      5.201866
  H      -7.927965     -2.287745      5.280120
  N      -5.359876      2.983721      3.739184
  N      -6.273238      3.144934      2.825469
  H      -5.879642      3.246370      1.879184
  H      -7.086983      2.439861      2.898806
90
Coordinates from ORCA-job orca E -6141.229443800000
  N      -2.744123      1.824401      4.182730
  Mo     -4.274792      2.689829      5.073718
  N      -5.427606      1.521023      6.177254
  C      -4.978256      1.032931      7.472899
  C      -3.456139      1.018454      7.496316
  N      -2.942565      2.258875      6.865098
  C      -1.577091      2.090309      6.309056
  C      -1.649786      1.311437      5.002828
  C      -3.070472      3.441250      7.752915
  C      -3.111435      4.712618      6.917264
  N      -4.009958      4.530715      5.780798
  H      -0.690813      1.440282      4.468940
  H      -1.759425      0.224215      5.191315
  H      -1.185815      3.093944      6.094407
  H      -0.910519      1.604184      7.043363
  H      -3.463514      5.544578      7.555664
  H      -2.089858      4.988496      6.590868
  H      -4.023913      3.336085      8.288033
  H      -2.253805      3.463500      8.495843
  H      -5.346307      0.006866      7.651670
  H      -5.381022      1.654133      8.298331
  H      -3.097218      0.176639      6.888664
  H      -3.057042      0.905309      8.519895
  C      -2.634128      1.487375      2.763075
  C      -3.261007      0.125728      2.383193
  C      -4.527904      0.226494      1.557653
  N      -4.678964      1.314119      0.796971
  C      -5.782782      1.392492      0.019887
  N      -6.776205      0.522618     -0.069057
  C      -6.642379     -0.612274      0.686716
  C      -7.659918     -1.593093      0.636057
  C      -7.544568     -2.762093      1.368553
  C      -6.410468     -2.987838      2.173689
  C      -5.403231     -2.039361      2.250979
  C      -5.494871     -0.827365      1.520647
  C      -4.441329      5.770181      5.159118
  C      -3.362834      6.511188      4.325619
  C      -2.995549      5.795765      3.056925
  N      -3.916186      5.821037      2.086753
  C      -3.613095      5.205576      0.922093
  N      -2.489715      4.581681      0.600037
  C      -1.537686      4.527296      1.578857
  C      -0.316521      3.860146      1.314100
  C       0.655450      3.763737      2.293671
  C       0.447675      4.339029      3.565876
  C      -0.730144      5.009626      3.846142
  C      -1.750835      5.119937      2.868213
  C      -6.781313      1.136600      5.779397
  C      -6.756381      0.125295      4.610230
  C      -8.034209      0.091920      3.837521
  N      -8.298767      1.195253      3.102883
  C      -9.425113      1.208357      2.361967
  N     -10.342385      0.259409      2.277887
  C     -10.127729     -0.858795      3.046467
  C     -11.075321     -1.903979      3.020503
  C     -10.886515     -3.047369      3.787041
  C      -9.741585     -3.179650      4.593830
  C      -8.787587     -2.173820      4.629701
  C      -8.956663     -0.989832      3.867040
  H      -3.125546      2.263209      2.165209
  H      -1.567716      1.499115      2.484427
  H      -3.449796     -0.455328      3.297698
  H      -2.537884     -0.468015      1.794962
  H      -5.856764      2.291694     -0.602737
  H      -8.531096     -1.392171      0.011480
  H      -8.339889     -3.508282      1.334777
  H      -6.331700     -3.913715      2.745880
  H      -4.532617     -2.225980      2.881024
  H      -5.291237      5.558470      4.497389
  H      -4.788738      6.467241      5.945932
  H      -3.803014      7.479044      4.041245
  H      -2.480713      6.718984      4.944683
  H      -4.391779      5.240988      0.152434
  H      -0.181170      3.419063      0.325400
  H       1.591458      3.242974      2.083313
  H       1.224986      4.261544      4.328342
  H      -0.869749      5.460651      4.828389
  H      -7.319339      0.706151      6.640934
  H      -7.345015      2.025767      5.460585
  H      -5.957858      0.458154      3.929232
  H      -6.471523     -0.868940      4.975829
  H      -9.583178      2.107711      1.757389
  H     -11.953655     -1.780093      2.385279
  H     -11.629002     -3.847041      3.764259
  H      -9.600256     -4.082257      5.191058
  H      -7.901873     -2.292356      5.254512
  N      -5.371178      2.992020      3.716077
  N      -6.286541      3.157327      2.804204
  H      -5.890832      3.249496      1.857874
  H      -7.098355      2.448558      2.874466
90
Coordinates from ORCA-job orca E -6141.229384854883
  N      -2.760195      1.826862      4.156443
  Mo     -4.280356      2.694710      5.061508
  N      -5.427525      1.525097      6.169304
  C      -4.967325      1.022719      7.455751
  C      -3.445027      1.007741      7.466321
  N      -2.935591      2.252395      6.840418
  C      -1.574326      2.088368      6.273247
  C      -1.655829      1.315153      4.964425
  C      -3.057654      3.428712      7.737054
  C      -3.103126      4.706025      6.911252
  N      -4.003283      4.531503      5.775078
  H      -0.702626      1.450352      4.421862
  H      -1.759890      0.226706      5.148618
  H      -1.186877      3.093597      6.059405
  H      -0.901425      1.600443      7.000495
  H      -3.456543      5.532107      7.556661
  H      -2.083132      4.987804      6.584709
  H      -4.007798      3.319813      8.277308
  H      -2.236619      3.445673      8.475289
  H      -5.334302     -0.004977      7.627090
  H      -5.362841      1.635989      8.290516
  H      -3.091414      0.170384      6.849398
  H      -3.037707      0.886141      8.485715
  C      -2.668532      1.478296      2.737376
  C      -3.293765      0.110474      2.376726
  C      -4.564504      0.191257      1.555061
  N      -4.737754      1.275036      0.793114
  C      -5.847420      1.332848      0.022572
  N      -6.827061      0.446423     -0.058734
  C      -6.669028     -0.685520      0.696819
  C      -7.668920     -1.684490      0.652628
  C      -7.527884     -2.851703      1.384050
  C      -6.384523     -3.057133      2.181162
  C      -5.394142     -2.090237      2.252656
  C      -5.512606     -0.879583      1.523774
  C      -4.436421      5.775333      5.162056
  C      -3.356841      6.527742      4.339794
  C      -2.971371      5.818329      3.073484
  N      -3.884322      5.830634      2.095773
  C      -3.562218      5.219691      0.933876
  N      -2.429314      4.607335      0.623239
  C      -1.484665      4.567069      1.609892
  C      -0.254234      3.912690      1.357931
  C       0.712660      3.834371      2.344318
  C       0.489126      4.413750      3.612070
  C      -0.699826      5.068870      3.881138
  C      -1.715307      5.161065      2.895291
  C      -6.783857      1.143573      5.777285
  C      -6.767085      0.131349      4.608689
  C      -8.045863      0.106882      3.836900
  N      -8.303735      1.211688      3.102145
  C      -9.431531      1.232274      2.363376
  N     -10.355134      0.289145      2.280522
  C     -10.145689     -0.831221      3.046975
  C     -11.097815     -1.872405      3.018802
  C     -10.912725     -3.019065      3.781170
  C      -9.767738     -3.158585      4.586871
  C      -8.809759     -2.156717      4.625111
  C      -8.974367     -0.969876      3.865892
  H      -3.167986      2.248502      2.139084
  H      -1.605584      1.489521      2.445932
  H      -3.476879     -0.460280      3.299033
  H      -2.569324     -0.487237      1.794135
  H      -5.940896      2.229377     -0.601296
  H      -8.547658     -1.499190      0.033764
  H      -8.310262     -3.611706      1.355097
  H      -6.284831     -3.981733      2.752242
  H      -4.515831     -2.261783      2.876349
  H      -5.282646      5.566543      4.494742
  H      -4.789912      6.464842      5.952815
  H      -3.802884      7.492860      4.055024
  H      -2.481253      6.740362      4.966125
  H      -4.333904      5.245094      0.156815
  H      -0.106848      3.467986      0.372730
  H       1.656272      3.323700      2.143304
  H       1.262000      4.350040      4.380336
  H      -0.854583      5.521283      4.860467
  H      -7.319800      0.716435      6.641855
  H      -7.346157      2.033803      5.459308
  H      -5.967435      0.458514      3.926322
  H      -6.488724     -0.864894      4.973643
  H      -9.585430      2.132620      1.759237
  H     -11.976011     -1.743205      2.384384
  H     -11.657904     -3.816169      3.755696
  H      -9.629277     -4.063941      5.180653
  H      -7.923788     -2.281095      5.248428
  N      -5.387405      3.003945      3.714143
  N      -6.307414      3.176190      2.808423
  H      -5.920192      3.247099      1.856297
  H      -7.135676      2.489054      2.896892
90
Coordinates from ORCA-job orca E -6141.229447451527
  N      -2.762787      1.823494      4.184003
  Mo     -4.283571      2.698130      5.080919
  N      -5.430430      1.535393      6.194255
  C      -4.979067      1.061162      7.494751
  C      -3.457510      1.039382      7.512923
  N      -2.939495      2.270028      6.866771
  C      -1.580277      2.083933      6.302105
  C      -1.669957      1.299335      5.000788
  C      -3.048146      3.459824      7.747609
  C      -3.097971      4.726059      6.905255
  N      -4.009545      4.540832      5.780002
  H      -0.712289      1.412072      4.461003
  H      -1.794294      0.214798      5.194688
  H      -1.180246      3.082379      6.079092
  H      -0.914138      1.595727      7.035399
  H      -3.442167      5.561690      7.543280
  H      -2.079933      5.000715      6.565502
  H      -3.991170      3.361751      8.302415
  H      -2.217857      3.483966      8.475333
  H      -5.351925      0.039668      7.688199
  H      -5.375013      1.696513      8.312582
  H      -3.104991      0.188296      6.914326
  H      -3.055163      0.935186      8.536240
  C      -2.650334      1.494426      2.762339
  C      -3.277302      0.135639      2.376967
  C      -4.537305      0.240031      1.542515
  N      -4.688381      1.333245      0.789301
  C      -5.789457      1.412911      0.008459
  N      -6.778982      0.540105     -0.092484
  C      -6.644338     -0.599957      0.655352
  C      -7.657779     -1.584171      0.593427
  C      -7.542397     -2.756759      1.319871
  C      -6.411329     -2.983330      2.129250
  C      -5.408012     -2.032188      2.217483
  C      -5.500268     -0.816015      1.493982
  C      -4.442056      5.779904      5.155017
  C      -3.360080      6.512054      4.319173
  C      -2.993723      5.793752      3.052503
  N      -3.909262      5.822917      2.077520
  C      -3.598699      5.212400      0.912404
  N      -2.475549      4.584732      0.596121
  C      -1.530718      4.522727      1.581932
  C      -0.313442      3.845813      1.326404
  C       0.651822      3.742847      2.312311
  C       0.438536      4.317748      3.583754
  C      -0.737040      4.994974      3.856540
  C      -1.749594      5.115445      2.870018
  C      -6.780181      1.135754      5.795019
  C      -6.749877      0.110302      4.637776
  C      -8.023365      0.076064      3.856681
  N      -8.276819      1.173673      3.109314
  C      -9.399899      1.185607      2.362471
  N     -10.321269      0.240681      2.280474
  C     -10.114059     -0.874394      3.055406
  C     -11.061530     -1.919365      3.023379
  C     -10.879512     -3.061555      3.793190
  C      -9.742722     -3.191293      4.612234
  C      -8.789050     -2.185257      4.654642
  C      -8.949349     -1.003800      3.885595
  H      -3.138588      2.274398      2.167802
  H      -1.582899      1.505359      2.486567
  H      -3.474880     -0.446639      3.288807
  H      -2.549335     -0.458242      1.794212
  H      -5.866163      2.317314     -0.606318
  H      -8.527218     -1.382352     -0.033461
  H      -8.336386     -3.504090      1.278343
  H      -6.331367     -3.912181      2.696644
  H      -4.539840     -2.220710      2.850457
  H      -5.293797      5.568192      4.495600
  H      -4.786540      6.480702      5.939482
  H      -3.789641      7.484934      4.034353
  H      -2.476097      6.712856      4.937812
  H      -4.371017      5.253901      0.136479
  H      -0.175130      3.403774      0.338744
  H       1.585291      3.214910      2.108520
  H       1.208850      4.232482      4.352568
  H      -0.885807      5.440403      4.840228
  H      -7.317701      0.712707      6.660585
  H      -7.348160      2.017452      5.463509
  H      -5.944741      0.429452      3.956953
  H      -6.473728     -0.881513      5.016212
  H      -9.551820      2.080893      1.750477
  H     -11.933588     -1.797009      2.379116
  H     -11.620069     -3.862781      3.762891
  H      -9.606808     -4.092767      5.212620
  H      -7.909216     -2.302617      5.287933
  N      -5.389765      2.989335      3.729292
  N      -6.307977      3.143969      2.819881
  H      -5.922693      3.223945      1.867739
  H      -7.125713      2.447360      2.911823
90
Coordinates from ORCA-job orca E -6141.228895453123
  N      -2.741540      1.790948      4.207723
  Mo     -4.269787      2.672744      5.086463
  N      -5.430234      1.516888      6.191424
  C      -4.994022      1.054319      7.501864
  C      -3.473088      1.024597      7.536560
  N      -2.943401      2.248782      6.887464
  C      -1.580301      2.050529      6.337314
  C      -1.664485      1.258527      5.040691
  C      -3.051592      3.444026      7.760618
  C      -3.094910      4.705668      6.910491
  N      -4.002036      4.517218      5.782001
  H      -0.698803      1.353438      4.511952
  H      -1.805946      0.177319      5.241294
  H      -1.170190      3.044667      6.112627
  H      -0.925021      1.561880      7.080092
  H      -3.438704      5.545670      7.542739
  H      -2.074386      4.975220      6.573985
  H      -3.995054      3.351618      8.315719
  H      -2.222099      3.469900      8.489306
  H      -5.375556      0.037757      7.703579
  H      -5.393515      1.702083      8.308132
  H      -3.118148      0.167077      6.948607
  H      -3.081919      0.926494      8.564803
  C      -2.609458      1.461689      2.788798
  C      -3.231346      0.101901      2.403458
  C      -4.487469      0.206520      1.563982
  N      -4.629853      1.293629      0.800597
  C      -5.726544      1.370839      0.013061
  N      -6.717627      0.500557     -0.087800
  C      -6.592874     -0.632195      0.672844
  C      -7.610596     -1.612276      0.615056
  C      -7.506589     -2.775400      1.357150
  C      -6.383129     -2.997062      2.178989
  C      -5.375980     -2.050742      2.262460
  C      -5.456246     -0.843923      1.522142
  C      -4.448821      5.755048      5.162829
  C      -3.378199      6.500144      4.324865
  C      -3.019610      5.802966      3.044440
  N      -3.946189      5.840593      2.080355
  C      -3.641082      5.259362      0.899224
  N      -2.510868      4.660009      0.554555
  C      -1.553959      4.589582      1.528523
  C      -0.328713      3.940252      1.242154
  C       0.648678      3.826388      2.214831
  C       0.439612      4.364116      3.502892
  C      -0.742681      5.016553      3.805402
  C      -1.768269      5.146509      2.833389
  C      -6.783402      1.129479      5.788679
  C      -6.769936      0.119272      4.617300
  C      -8.055454      0.103050      3.854319
  N      -8.318800      1.219026      3.137776
  C      -9.454116      1.250882      2.409855
  N     -10.378676      0.310577      2.319449
  C     -10.161217     -0.823896      3.063352
  C     -11.112232     -1.864759      3.020872
  C     -10.923321     -3.025230      3.761258
  C      -9.775299     -3.176836      4.560759
  C      -8.817449     -2.174878      4.612482
  C      -8.984096     -0.975572      3.872473
  H      -3.093114      2.239307      2.187598
  H      -1.538691      1.474002      2.525700
  H      -3.433367     -0.477888      3.315620
  H      -2.500474     -0.493763      1.825594
  H      -5.796932      2.270805     -0.609043
  H      -8.474510     -1.414226     -0.020612
  H      -8.304043     -3.519097      1.318950
  H      -6.312077     -3.918656      2.759253
  H      -4.514178     -2.235599      2.905073
  H      -5.303504      5.539004      4.508559
  H      -4.794523      6.448909      5.952573
  H      -3.811512      7.475990      4.055653
  H      -2.490051      6.698858      4.938742
  H      -4.423768      5.304815      0.133820
  H      -0.194448      3.527200      0.241524
  H       1.588595      3.320174      1.987131
  H       1.219310      4.271091      4.261286
  H      -0.886985      5.434053      4.801959
  H      -7.320150      0.697900      6.650392
  H      -7.346371      2.019701      5.471656
  H      -5.971731      0.442670      3.929408
  H      -6.494716     -0.878996      4.979323
  H      -9.613410      2.161194      1.822478
  H     -11.993323     -1.724211      2.392811
  H     -11.666918     -3.823332      3.723002
  H      -9.634330     -4.091936      5.138988
  H      -7.929507     -2.309168      5.230927
  N      -5.361736      2.955390      3.721714
  N      -6.270083      3.098833      2.801880
  H      -5.874973      3.227833      1.859198
  H      -7.055744      2.365041      2.860270
90
Coordinates from ORCA-job orca E -6141.229119428181
  N      -2.755511      1.802287      4.205247
  Mo     -4.276776      2.693537      5.085447
  N      -5.451294      1.539507      6.179452
  C      -5.022907      1.062314      7.486658
  C      -3.502140      1.020849      7.525327
  N      -2.960366      2.245575      6.887719
  C      -1.596699      2.043574      6.339487
  C      -1.681110      1.261800      5.036215
  C      -3.064088      3.434076      7.770475
  C      -3.090220      4.703091      6.931502
  N      -3.990683      4.530689      5.795456
  H      -0.714806      1.359445      4.509341
  H      -1.824638      0.179217      5.228081
  H      -1.181081      3.037165      6.123096
  H      -0.945779      1.545832      7.080122
  H      -3.433170      5.539874      7.568719
  H      -2.065617      4.968171      6.605638
  H      -4.013362      3.345219      8.316073
  H      -2.240687      3.446341      8.506308
  H      -5.411107      0.045895      7.676136
  H      -5.421840      1.703607      8.298453
  H      -3.151923      0.165781      6.931163
  H      -3.115117      0.911287      8.554003
  C      -2.630953      1.467722      2.785937
  C      -3.268462      0.113187      2.403273
  C      -4.517790      0.226894      1.554158
  N      -4.637611      1.307037      0.777090
  C      -5.726024      1.391458     -0.021044
  N      -6.730819      0.536187     -0.117991
  C      -6.629519     -0.589729      0.656230
  C      -7.661833     -1.554492      0.601139
  C      -7.579930     -2.713088      1.353731
  C      -6.464903     -2.944579      2.183860
  C      -5.443544     -2.012484      2.265191
  C      -5.501139     -0.810833      1.514378
  C      -4.415071      5.775945      5.177909
  C      -3.334552      6.509724      4.340905
  C      -2.985012      5.809162      3.058794
  N      -3.919265      5.843149      2.101783
  C      -3.626235      5.251349      0.922473
  N      -2.501408      4.644387      0.573268
  C      -1.536031      4.579237      1.538850
  C      -0.313118      3.927339      1.245608
  C       0.673590      3.821869      2.209585
  C       0.478770      4.373647      3.493987
  C      -0.700083      5.029676      3.802169
  C      -1.737063      5.147533      2.841174
  C      -6.797618      1.145324      5.762766
  C      -6.759026      0.108839      4.615550
  C      -8.032449      0.057113      3.835045
  N      -8.295626      1.146160      3.078984
  C      -9.420028      1.143786      2.334165
  N     -10.335199      0.192299      2.262927
  C     -10.118739     -0.914448      3.047843
  C     -11.062781     -1.962745      3.032662
  C     -10.874799     -3.094178      3.816984
  C      -9.733927     -3.210088      4.632264
  C      -8.783437     -2.200413      4.658441
  C      -8.951057     -1.028627      3.876181
  H      -3.106137      2.249363      2.182895
  H      -1.560814      1.467280      2.521485
  H      -3.483896     -0.458012      3.317920
  H      -2.541814     -0.495852      1.834665
  H      -5.776297      2.284085     -0.655587
  H      -8.518138     -1.349379     -0.042505
  H      -8.387485     -3.445772      1.315903
  H      -6.411281     -3.862382      2.771909
  H      -4.588175     -2.204794      2.914118
  H      -5.270790      5.572308      4.521140
  H      -4.753561      6.473656      5.967725
  H      -3.761022      7.488640      4.072941
  H      -2.443798      6.699333      4.953645
  H      -4.414167      5.296041      0.162574
  H      -0.187485      3.505741      0.246972
  H       1.611226      3.313598      1.977017
  H       1.267718      4.290785      4.243934
  H      -0.830967      5.462564      4.793635
  H      -7.347249      0.730084      6.624422
  H      -7.357418      2.027464      5.418757
  H      -5.954580      0.424597      3.932307
  H      -6.478509     -0.877489      5.005039
  H      -9.578878      2.032685      1.714441
  H     -11.938308     -1.850573      2.391313
  H     -11.614143     -3.897038      3.801581
  H      -9.593212     -4.102940      5.244254
  H      -7.901649     -2.306387      5.291057
  N      -5.358841      3.005989      3.720105
  N      -6.260007      3.176633      2.796907
  H      -5.855870      3.278178      1.855738
  H      -7.074649      2.472582      2.856954
90
Coordinates from ORCA-job orca E -6141.227300984958
  N      -2.794274      1.895821      4.139917
  Mo     -4.297272      2.761722      5.078608
  N      -5.430372      1.585510      6.192484
  C      -4.957874      1.085078      7.475614
  C      -3.435713      1.061337      7.467292
  N      -2.926099      2.302367      6.834292
  C      -1.575885      2.128429      6.243646
  C      -1.684923      1.366545      4.930460
  C      -3.018298      3.475930      7.737140
  C      -3.069979      4.754274      6.914746
  N      -3.997290      4.590930      5.799496
  H      -0.736827      1.492547      4.376957
  H      -1.800499      0.278302      5.108890
  H      -1.181628      3.131508      6.030790
  H      -0.895782      1.629420      6.956622
  H      -3.397089      5.584441      7.568395
  H      -2.053923      5.022062      6.564515
  H      -3.954598      3.373162      8.302013
  H      -2.178095      3.483488      8.453720
  H      -5.327660      0.059703      7.653873
  H      -5.340946      1.702823      8.312868
  H      -3.095350      0.221558      6.846305
  H      -3.015525      0.937207      8.481129
  C      -2.711181      1.571435      2.714133
  C      -3.299772      0.189248      2.344244
  C      -4.577021      0.235847      1.530434
  N      -4.787079      1.317398      0.775305
  C      -5.897292      1.340826      0.003210
  N      -6.844098      0.420149     -0.085886
  C      -6.646821     -0.710864      0.662368
  C      -7.607459     -1.747562      0.605712
  C      -7.420927     -2.916786      1.323045
  C      -6.271349     -3.086454      2.120034
  C      -5.321340     -2.081782      2.205736
  C      -5.486172     -0.868331      1.490295
  C      -4.417119      5.839746      5.187744
  C      -3.329280      6.541541      4.336381
  C      -2.985515      5.783660      3.086806
  N      -3.901166      5.817360      2.112215
  C      -3.619738      5.154088      0.968693
  N      -2.526377      4.467189      0.674569
  C      -1.584527      4.396943      1.662458
  C      -0.402069      3.653900      1.431614
  C       0.556684      3.536421      2.422117
  C       0.371982      4.164568      3.672778
  C      -0.768787      4.907837      3.920145
  C      -1.773764      5.044085      2.928645
  C      -6.782279      1.184927      5.805307
  C      -6.750245      0.186898      4.625422
  C      -8.031230      0.150971      3.858284
  N      -8.315327      1.268838      3.154300
  C      -9.446865      1.283749      2.420571
  N     -10.347251      0.321447      2.311594
  C     -10.107518     -0.816301      3.043042
  C     -11.032217     -1.880230      2.982116
  C     -10.818710     -3.044001      3.710229
  C      -9.670621     -3.177750      4.512788
  C      -8.738769     -2.153101      4.582377
  C      -8.933103     -0.948692      3.858423
  H      -3.237465      2.336760      2.132349
  H      -1.652128      1.614686      2.410906
  H      -3.458564     -0.394169      3.262716
  H      -2.562470     -0.382830      1.752018
  H      -6.023181      2.238648     -0.613070
  H      -8.491179     -1.590968     -0.013935
  H      -8.171968     -3.707269      1.282928
  H      -6.135836     -4.012752      2.680656
  H      -4.438240     -2.226137      2.829335
  H      -5.280725      5.645129      4.538642
  H      -4.736600      6.546147      5.977751
  H      -3.739795      7.517017      4.033602
  H      -2.439301      6.735496      4.948789
  H      -4.391145      5.200502      0.192606
  H      -0.287388      3.171702      0.460163
  H       1.462946      2.956654      2.237812
  H       1.136845      4.067656      4.445548
  H      -0.894091      5.394462      4.887424
  H      -7.305629      0.737185      6.667078
  H      -7.360760      2.068734      5.498838
  H      -5.959263      0.536674      3.944224
  H      -6.452545     -0.808700      4.977027
  H      -9.625539      2.197684      1.844601
  H     -11.913321     -1.753902      2.351202
  H     -11.543395     -3.858595      3.660194
  H      -9.509984     -4.096069      5.080462
  H      -7.850540     -2.273055      5.203470
  N      -5.428216      3.092917      3.756381
  N      -6.366968      3.280152      2.872368
  H      -6.003339      3.384794      1.913433
  H      -7.203797      2.609511      2.967107
90
Coordinates from ORCA-job orca E -6141.229286533186
  N      -2.754658      1.802797      4.197400
  Mo     -4.277258      2.685336      5.085575
  N      -5.432459      1.532135      6.200189
  C      -4.985363      1.056039      7.501603
  C      -3.463652      1.031485      7.523886
  N      -2.941554      2.260337      6.877213
  C      -1.579812      2.072164      6.318589
  C      -1.664544      1.282809      5.019813
  C      -3.053170      3.452071      7.754100
  C      -3.093828      4.716074      6.907472
  N      -3.998741      4.530159      5.776801
  H      -0.705053      1.394485      4.483267
  H      -1.788448      0.198767      5.217317
  H      -1.178606      3.069692      6.093491
  H      -0.916159      1.586316      7.055700
  H      -3.439229      5.554503      7.540980
  H      -2.072814      4.985242      6.573470
  H      -4.000339      3.357771      8.302098
  H      -2.227856      3.475889      8.487465
  H      -5.360572      0.035057      7.693261
  H      -5.382930      1.691059      8.318847
  H      -3.111314      0.179442      6.926691
  H      -3.063994      0.927535      8.548247
  C      -2.645746      1.461406      2.778854
  C      -3.276296      0.100974      2.404350
  C      -4.539119      0.205745      1.574846
  N      -4.697497      1.304662      0.832166
  C      -5.802255      1.386979      0.056622
  N      -6.789279      0.511495     -0.046091
  C      -6.647062     -0.634841      0.691072
  C      -7.656330     -1.623330      0.624055
  C      -7.529050     -2.804817      1.333910
  C      -6.391215     -3.035717      2.132582
  C      -5.393732     -2.079286      2.227990
  C      -5.497774     -0.854438      1.520933
  C      -4.436949      5.770303      5.157847
  C      -3.363473      6.517615      4.324094
  C      -2.997232      5.813277      3.049759
  N      -3.919508      5.846533      2.081314
  C      -3.616007      5.246108      0.909482
  N      -2.493103      4.626042      0.580055
  C      -1.539906      4.562964      1.557360
  C      -0.321460      3.896177      1.284766
  C       0.654973      3.793587      2.259474
  C       0.452130      4.361603      3.535672
  C      -0.725475      5.028562      3.825204
  C      -1.750286      5.144880      2.851686
  C      -6.783271      1.139808      5.800126
  C      -6.752582      0.122746      4.636812
  C      -8.023729      0.099437      3.852521
  N      -8.271989      1.206918      3.118685
  C      -9.391993      1.228950      2.367432
  N     -10.314100      0.286261      2.269843
  C     -10.112525     -0.837541      3.033206
  C     -11.063679     -1.878645      2.988285
  C     -10.889158     -3.027732      3.749255
  C      -9.754863     -3.169551      4.569718
  C      -8.797410     -2.167862      4.623996
  C      -8.951697     -0.978414      3.866469
  H      -3.136276      2.237769      2.180990
  H      -1.579860      1.470626      2.498469
  H      -3.473652     -0.474163      3.320734
  H      -2.553326     -0.499958      1.823104
  H      -5.884568      2.295995     -0.550305
  H      -8.529924     -1.419239      0.003898
  H      -8.317463     -3.557533      1.286412
  H      -6.302323     -3.971553      2.686685
  H      -4.520660     -2.270568      2.853081
  H      -5.290258      5.559304      4.500297
  H      -4.782318      6.463365      5.948809
  H      -3.803326      7.487946      4.047154
  H      -2.480199      6.723567      4.942125
  H      -4.394167      5.290160      0.139997
  H      -0.192924      3.459888      0.293634
  H       1.589732      3.273492      2.042358
  H       1.232060      4.279376      4.294913
  H      -0.863681      5.471732      4.811160
  H      -7.324514      0.714262      6.662088
  H      -7.345956      2.025869      5.471514
  H      -5.945940      0.446624      3.960850
  H      -6.478949     -0.872376      5.008683
  H      -9.540509      2.131415      1.765691
  H     -11.933561     -1.746598      2.343180
  H     -11.634350     -3.824227      3.711512
  H      -9.624813     -4.076385      5.163062
  H      -7.920192     -2.294126      5.259189
  N      -5.378964      2.970786      3.728217
  N      -6.294839      3.121722      2.813500
  H      -5.906027      3.192858      1.861493
  H      -7.121058      2.441391      2.909326
90
Coordinates from ORCA-job orca E -6141.228970933691
  N      -2.749773      1.819648      4.183983
  Mo     -4.269827      2.702511      5.074339
  N      -5.443173      1.538745      6.158507
  C      -5.008838      1.043403      7.457372
  C      -3.487635      1.004312      7.492015
  N      -2.949766      2.238482      6.869245
  C      -1.586421      2.047270      6.317205
  C      -1.669922      1.277499      5.007132
  C      -3.055244      3.417268      7.765206
  C      -3.086025      4.696106      6.940607
  N      -3.986655      4.533012      5.803434
  H      -0.705494      1.384628      4.478583
  H      -1.807746      0.192450      5.189000
  H      -1.175070      3.044541      6.109794
  H      -0.932581      1.545178      7.052297
  H      -3.432711      5.523632      7.587935
  H      -2.062573      4.970520      6.617058
  H      -4.003160      3.319449      8.311871
  H      -2.230459      3.423564      8.499672
  H      -5.395388      0.024122      7.634272
  H      -5.405597      1.673263      8.279142
  H      -3.136474      0.157321      6.886761
  H      -3.098353      0.882727      8.518560
  C      -2.634290      1.482575      2.764142
  C      -3.255878      0.117626      2.394008
  C      -4.511974      0.204133      1.551013
  N      -4.663333      1.279134      0.772064
  C      -5.761302      1.336143     -0.015793
  N      -6.746332      0.457560     -0.102893
  C      -6.611544     -0.663941      0.672379
  C      -7.621563     -1.652371      0.629262
  C      -7.507198     -2.805397      1.386041
  C      -6.379935     -3.008098      2.207328
  C      -5.379250     -2.052896      2.276078
  C      -5.471078     -0.855885      1.521481
  C      -4.414385      5.781960      5.195865
  C      -3.341096      6.519466      4.353760
  C      -2.989688      5.814546      3.074855
  N      -3.927066      5.831734      2.120313
  C      -3.632672      5.229376      0.946598
  N      -2.504376      4.625582      0.601185
  C      -1.535657      4.577873      1.565042
  C      -0.308483      3.930904      1.276938
  C       0.679750      3.840685      2.241161
  C       0.481453      4.401052      3.521348
  C      -0.701312      5.052174      3.824572
  C      -1.738572      5.157843      2.861907
  C      -6.795980      1.157908      5.745874
  C      -6.783713      0.131696      4.588091
  C      -8.071619      0.096799      3.828586
  N      -8.341051      1.194899      3.087639
  C      -9.476097      1.205657      2.359058
  N     -10.396300      0.258969      2.290043
  C     -10.173038     -0.857752      3.059069
  C     -11.118168     -1.904990      3.039728
  C     -10.921027     -3.048832      3.803559
  C      -9.771112     -3.177179      4.604277
  C      -8.819289     -2.168879      4.633854
  C      -8.994189     -0.986041      3.869830
  H      -3.125520      2.255534      2.163290
  H      -1.566522      1.495140      2.490027
  H      -3.459855     -0.448799      3.314553
  H      -2.523053     -0.487202      1.828539
  H      -5.837694      2.225127     -0.653032
  H      -8.488625     -1.468750     -0.006556
  H      -8.299589     -3.555133      1.359685
  H      -6.300212     -3.921981      2.798746
  H      -4.514082     -2.223172      2.918413
  H      -5.273864      5.580510      4.543225
  H      -4.748921      6.476110      5.990485
  H      -3.775184      7.494422      4.082970
  H      -2.449628      6.717798      4.962762
  H      -4.424698      5.256847      0.189509
  H      -0.180084      3.501512      0.281651
  H       1.620387      3.335956      2.012756
  H       1.270825      4.328683      4.272037
  H      -0.836499      5.490527      4.813498
  H      -7.341106      0.739401      6.608804
  H      -7.351364      2.048332      5.416443
  H      -5.987971      0.445986      3.893534
  H      -6.505440     -0.860461      4.963967
  H      -9.638667      2.101837      1.750117
  H     -12.000624     -1.783138      2.409590
  H     -11.659389     -3.852419      3.782318
  H      -9.623164     -4.079888      5.200075
  H      -7.929258     -2.285980      5.252811
  N      -5.350576      3.024241      3.711280
  N      -6.245421      3.200087      2.785106
  H      -5.835195      3.291278      1.846610
  H      -7.056564      2.493351      2.844183
90
Coordinates from ORCA-job orca E -6141.229409540207
  N      -2.743620      1.823578      4.170713
  Mo     -4.271001      2.690001      5.067815
  N      -5.422325      1.519301      6.168682
  C      -4.971573      1.028610      7.463427
  C      -3.449587      1.012131      7.485119
  N      -2.935082      2.252710      6.855231
  C      -1.571727      2.081481      6.295617
  C      -1.650232      1.304205      4.989209
  C      -3.056165      3.432517      7.746798
  C      -3.101865      4.706387      6.915267
  N      -4.003066      4.528325      5.780397
  H      -0.690936      1.427045      4.454568
  H      -1.766478      0.217450      5.176583
  H      -1.177953      3.084338      6.080883
  H      -0.904678      1.593174      7.028072
  H      -3.453280      5.535138      7.558103
  H      -2.081490      4.985325      6.587036
  H      -4.004114      3.325711      8.291279
  H      -2.232661      3.452114      8.482389
  H      -5.340679      0.002914      7.641388
  H      -5.372492      1.649987      8.289577
  H      -3.092135      0.170222      6.876626
  H      -3.049238      0.897122      8.508044
  C      -2.638267      1.478661      2.752616
  C      -3.270670      0.115763      2.391427
  C      -4.526940      0.209781      1.549461
  N      -4.664608      1.280467      0.762621
  C      -5.759512      1.344380     -0.028904
  N      -6.755505      0.477465     -0.109314
  C      -6.636072     -0.639294      0.675646
  C      -7.659008     -1.614988      0.639833
  C      -7.557944     -2.764921      1.403258
  C      -6.433116     -2.976471      2.225488
  C      -5.421074     -2.032926      2.288205
  C      -5.498494     -0.839692      1.526112
  C      -4.443285      5.771778      5.171172
  C      -3.369003      6.523657      4.343391
  C      -2.997273      5.822170      3.068834
  N      -3.911507      5.864208      2.093300
  C      -3.602053      5.266096      0.921656
  N      -2.477827      4.645249      0.596990
  C      -1.532343      4.573644      1.581399
  C      -0.312501      3.905798      1.314555
  C       0.652987      3.790139      2.298560
  C       0.438782      4.347041      3.577754
  C      -0.737957      5.018315      3.860581
  C      -1.752405      5.147648      2.877873
  C      -6.774663      1.129485      5.768859
  C      -6.751179      0.111984      4.604618
  C      -8.029494      0.082543      3.831248
  N      -8.284513      1.183932      3.090649
  C      -9.410318      1.200140      2.347998
  N     -10.334189      0.257922      2.267063
  C     -10.127728     -0.858781      3.040144
  C     -11.083312     -1.896402      3.017402
  C     -10.905575     -3.037243      3.790184
  C      -9.763161     -3.174073      4.600135
  C      -8.801098     -2.175713      4.632698
  C      -8.958675     -0.994321      3.863115
  H      -3.129891      2.251465      2.151152
  H      -1.572429      1.485467      2.471086
  H      -3.478377     -0.442785      3.315868
  H      -2.545735     -0.499388      1.827399
  H      -5.823256      2.229156     -0.673107
  H      -8.522969     -1.425333      0.001799
  H      -8.357367     -3.507007      1.380156
  H      -6.364850     -3.887793      2.821937
  H      -4.558298     -2.208594      2.931997
  H      -5.295365      5.563621      4.510958
  H      -4.790265      6.459429      5.966150
  H      -3.809611      7.494003      4.067540
  H      -2.488324      6.729709      4.965489
  H      -4.375301      5.315050      0.147171
  H      -0.173493      3.479559      0.320016
  H       1.588453      3.269291      2.086193
  H       1.210611      4.255057      4.344178
  H      -0.883450      5.453978      4.848924
  H      -7.313404      0.702308      6.631551
  H      -7.337543      2.017164      5.444861
  H      -5.950481      0.435943      3.921132
  H      -6.472554     -0.881957      4.975912
  H      -9.561644      2.097312      1.738613
  H     -11.959556     -1.768097      2.380147
  H     -11.654653     -3.830880      3.770125
  H      -9.630687     -4.074321      5.202977
  H      -7.918272     -2.297800      5.260908
  N      -5.373925      2.988307      3.715196
  N      -6.289378      3.148486      2.802963
  H      -5.895708      3.245749      1.855999
  H      -7.094206      2.439116      2.874907
90
Coordinates from ORCA-job orca E -6141.228904123834
  N      -2.782129      1.807057      4.216250
  Mo     -4.293105      2.708455      5.102608
  N      -5.451356      1.571089      6.228256
  C      -5.006633      1.108474      7.535491
  C      -3.485592      1.071176      7.555935
  N      -2.953026      2.286909      6.893465
  C      -1.596444      2.076556      6.330691
  C      -1.695171      1.278629      5.038292
  C      -3.044594      3.488889      7.759404
  C      -3.083197      4.745084      6.901562
  N      -3.997757      4.556017      5.779467
  H      -0.736400      1.375196      4.497465
  H      -1.832385      0.197619      5.242817
  H      -1.184797      3.067433      6.095477
  H      -0.935705      1.589749      7.069798
  H      -3.418819      5.591535      7.529852
  H      -2.062943      5.005649      6.557871
  H      -3.985269      3.408299      8.320730
  H      -2.210279      3.512731      8.482508
  H      -5.390406      0.093602      7.741534
  H      -5.397264      1.758857      8.343871
  H      -3.141571      0.208229      6.969620
  H      -3.085335      0.976214      8.580956
  C      -2.667373      1.476544      2.794847
  C      -3.301865      0.123234      2.400860
  C      -4.555588      0.246762      1.561224
  N      -4.713060      1.371131      0.857162
  C      -5.815032      1.478557      0.081122
  N      -6.800336      0.605323     -0.055311
  C      -6.658113     -0.566837      0.640367
  C      -7.664722     -1.554645      0.533890
  C      -7.537100     -2.761341      1.200131
  C      -6.400798     -3.019031      1.992642
  C      -5.406385     -2.064012      2.127516
  C      -5.511269     -0.813380      1.466544
  C      -4.422507      5.792943      5.143623
  C      -3.337785      6.507068      4.296237
  C      -2.984865      5.775370      3.033722
  N      -3.909569      5.797108      2.067033
  C      -3.610998      5.175527      0.904919
  N      -2.493610      4.540218      0.584992
  C      -1.539940      4.485796      1.562515
  C      -0.328247      3.802558      1.301778
  C       0.649648      3.711619      2.276486
  C       0.453569      4.305313      3.542127
  C      -0.718275      4.986589      3.820662
  C      -1.743346      5.094199      2.845580
  C      -6.797919      1.167558      5.826376
  C      -6.752717      0.134217      4.678665
  C      -8.020978      0.086819      3.890950
  N      -8.285000      1.185947      3.150576
  C      -9.404097      1.185835      2.397384
  N     -10.308637      0.225965      2.299867
  C     -10.087825     -0.892452      3.065533
  C     -11.014252     -1.955478      3.012913
  C     -10.817420     -3.101729      3.772544
  C      -9.686784     -3.217448      4.602383
  C      -8.753810     -2.193458      4.664880
  C      -8.929331     -1.007781      3.905859
  H      -3.149242      2.262194      2.202201
  H      -1.599839      1.483238      2.520362
  H      -3.510841     -0.462338      3.307780
  H      -2.575622     -0.473201      1.818957
  H      -5.899168      2.409357     -0.491388
  H      -8.537268     -1.329812     -0.080670
  H      -8.325392     -3.512131      1.123978
  H      -6.310805     -3.974409      2.512230
  H      -4.534517     -2.277548      2.747007
  H      -5.279481      5.582513      4.490561
  H      -4.757398      6.504027      5.922883
  H      -3.757491      7.482564      4.005743
  H      -2.448505      6.703821      4.908453
  H      -4.388601      5.213724      0.134637
  H      -0.205448      3.345549      0.319466
  H       1.579201      3.178546      2.068523
  H       1.233301      4.229757      4.302405
  H      -0.855124      5.446210      4.799437
  H      -7.341980      0.752273      6.691701
  H      -7.362864      2.045402      5.480376
  H      -5.947286      0.456571      4.000332
  H      -6.470536     -0.853329      5.063904
  H      -9.568945      2.083966      1.793508
  H     -11.881821     -1.843414      2.360831
  H     -11.541043     -3.917294      3.725595
  H      -9.539372     -4.122132      5.195088
  H      -7.877960     -2.300392      5.305570
  N      -5.394224      2.988531      3.744003
  N      -6.305159      3.135172      2.822409
  H      -5.914947      3.199827      1.869509
  H      -7.138914      2.464146      2.921737
90
Coordinates from ORCA-job orca E -6141.229533798721
  N      -2.757788      1.824704      4.179553
  Mo     -4.277975      2.701733      5.077098
  N      -5.433522      1.538973      6.180990
  C      -4.984758      1.050040      7.477125
  C      -3.462965      1.025032      7.498031
  N      -2.941205      2.260248      6.863574
  C      -1.580137      2.078252      6.301692
  C      -1.665760      1.299631      4.996617
  C      -3.051923      3.443272      7.752623
  C      -3.093769      4.715669      6.918840
  N      -3.997733      4.539743      5.785980
  H      -0.706940      1.415951      4.459743
  H      -1.788777      0.213943      5.185432
  H      -1.180337      3.078074      6.084309
  H      -0.915152      1.587135      7.034139
  H      -3.440870      5.547083      7.560711
  H      -2.072963      4.990226      6.588563
  H      -3.997818      3.343057      8.301968
  H      -2.225084      3.460025      8.484513
  H      -5.359807      0.027251      7.659007
  H      -5.381368      1.677189      8.300946
  H      -3.110604      0.178702      6.892706
  H      -3.062872      0.911236      8.521210
  C      -2.652228      1.485109      2.759785
  C      -3.281654      0.122669      2.390656
  C      -4.541642      0.217665      1.554719
  N      -4.700530      1.306687      0.797534
  C      -5.803583      1.376392      0.018024
  N      -6.788230      0.497750     -0.076937
  C      -6.645453     -0.638676      0.675186
  C      -7.652996     -1.629286      0.618987
  C      -7.526940     -2.799886      1.346774
  C      -6.391837     -3.017300      2.153066
  C      -5.394974     -2.059036      2.236551
  C      -5.497868     -0.845126      1.510803
  C      -4.430206      5.783325      5.170871
  C      -3.352406      6.521499      4.334985
  C      -2.988731      5.807285      3.065011
  N      -3.911371      5.832808      2.096664
  C      -3.609217      5.219883      0.930710
  N      -2.486650      4.595789      0.606195
  C      -1.532958      4.540323      1.583791
  C      -0.314154      3.870514      1.317197
  C       0.661009      3.774206      2.293822
  C       0.457314      4.351977      3.565460
  C      -0.719072      5.023700      3.848277
  C      -1.743229      5.134012      2.872972
  C      -6.784712      1.147577      5.778526
  C      -6.757762      0.127118      4.617070
  C      -8.034826      0.093866      3.841465
  N      -8.293496      1.194453      3.100876
  C      -9.419080      1.206574      2.357731
  N     -10.338227      0.259724      2.274346
  C     -10.126351     -0.857648      3.044800
  C     -11.074141     -1.902422      3.015650
  C     -10.889458     -3.045081      3.784037
  C      -9.748373     -3.176294      4.596843
  C      -8.794235     -2.170688      4.635970
  C      -8.958396     -0.987811      3.870078
  H      -3.144478      2.260579      2.162425
  H      -1.586574      1.494822      2.477875
  H      -3.483954     -0.444480      3.311049
  H      -2.555631     -0.484410      1.819433
  H      -5.885897      2.277123     -0.601448
  H      -8.525269     -1.435017     -0.006244
  H      -8.314981     -3.553490      1.308124
  H      -6.303588     -3.944675      2.721500
  H      -4.523726     -2.240212      2.867305
  H      -5.284693      5.576460      4.513457
  H      -4.771634      6.478519      5.961678
  H      -3.786401      7.493245      4.053558
  H      -2.467981      6.725109      4.952354
  H      -4.388241      5.256735      0.161377
  H      -0.183111      3.428073      0.328643
  H       1.595778      3.252023      2.081595
  H       1.236486      4.274887      4.326118
  H      -0.857902      5.474840      4.830570
  H      -7.325438      0.723129      6.641349
  H      -7.347099      2.033804      5.449991
  H      -5.956551      0.450601      3.934133
  H      -6.478535     -0.865849      4.990446
  H      -9.575026      2.104075      1.749960
  H     -11.949485     -1.778466      2.376264
  H     -11.631612     -3.844990      3.757980
  H      -9.610429     -4.078025      5.196258
  H      -7.912013     -2.288713      5.265832
  N      -5.379848      3.002402      3.724320
  N      -6.292232      3.164639      2.809399
  H      -5.898437      3.249479      1.861486
  H      -7.108514      2.468404      2.888998
90
Coordinates from ORCA-job orca E -6141.229531389470
  N      -2.760269      1.829844      4.162335
  Mo     -4.281304      2.700751      5.064117
  N      -5.428080      1.534208      6.173411
  C      -4.970174      1.041820      7.464989
  C      -3.448237      1.025761      7.478778
  N      -2.937202      2.266049      6.845729
  C      -1.576632      2.095007      6.279552
  C      -1.660280      1.314998      4.975134
  C      -3.055043      3.446778      7.736959
  C      -3.105081      4.720406      6.905322
  N      -4.006606      4.540321      5.771106
  H      -0.704694      1.440343      4.434478
  H      -1.772401      0.228145      5.164338
  H      -1.185935      3.097957      6.060117
  H      -0.905181      1.609686      7.009950
  H      -3.458495      5.548368      7.548249
  H      -2.085821      5.002692      6.576478
  H      -4.000220      3.339443      8.286220
  H      -2.228212      3.467551      8.468759
  H      -5.338306      0.015986      7.643961
  H      -5.366612      1.662758      8.293585
  H      -3.093381      0.183486      6.869233
  H      -3.042864      0.911341      8.499824
  C      -2.660993      1.485246      2.743236
  C      -3.297944      0.124769      2.381218
  C      -4.557307      0.224289      1.544908
  N      -4.710660      1.312463      0.785211
  C      -5.812652      1.385337      0.004475
  N      -6.801493      0.511357     -0.088960
  C      -6.665150     -0.623564      0.666728
  C      -7.678820     -1.608072      0.614329
  C      -7.561184     -2.775601      1.348430
  C      -6.427750     -2.996653      2.156013
  C      -5.424387     -2.044763      2.235000
  C      -5.519274     -0.833452      1.503864
  C      -4.438907      5.781747      5.151763
  C      -3.356504      6.522906      4.324499
  C      -2.972678      5.804703      3.062712
  N      -3.880367      5.824094      2.080174
  C      -3.557611      5.209281      0.920686
  N      -2.427922      4.587958      0.615615
  C      -1.489500      4.538259      1.608251
  C      -0.264552      3.871012      1.363351
  C       0.694709      3.779593      2.356180
  C       0.468808      4.360214      3.622746
  C      -0.713625      5.029948      3.884322
  C      -1.722169      5.134937      2.892177
  C      -6.780922      1.140810      5.778674
  C      -6.759230      0.120733      4.616767
  C      -8.041631      0.083608      3.850494
  N      -8.310279      1.185111      3.114869
  C      -9.441001      1.194653      2.379641
  N     -10.356348      0.243856      2.299690
  C     -10.134552     -0.874676      3.065832
  C     -11.076662     -1.924575      3.038239
  C     -10.880728     -3.069432      3.800616
  C      -9.734420     -3.197268      4.606572
  C      -8.785522     -2.186603      4.643800
  C      -8.960576     -1.001945      3.883055
  H      -3.152265      2.260596      2.144868
  H      -1.596327      1.489803      2.457627
  H      -3.504264     -0.436090      3.304662
  H      -2.575727     -0.490116      1.813435
  H      -5.890322      2.285011     -0.617116
  H      -8.549822     -1.410830     -0.011774
  H      -8.354946     -3.523522      1.314170
  H      -6.345949     -3.921711      2.729232
  H      -4.554571     -2.228598      2.867015
  H      -5.287283      5.571205      4.487607
  H      -4.788895      6.476668      5.939076
  H      -3.793574      7.490519      4.033649
  H      -2.480614      6.735019      4.951087
  H      -4.324409      5.241828      0.138885
  H      -0.115589      3.426713      0.378088
  H       1.634151      3.259214      2.160690
  H       1.235629      4.287161      4.396283
  H      -0.869706      5.483210      4.863136
  H      -7.315809      0.715369      6.644632
  H      -7.346622      2.026338      5.453970
  H      -5.964260      0.447472      3.927979
  H      -6.473858     -0.871452      4.987445
  H      -9.604802      2.093171      1.775392
  H     -11.956159     -1.803324      2.404016
  H     -11.617771     -3.873994      3.774665
  H      -9.587606     -4.100888      5.201063
  H      -7.898344     -2.302660      5.267034
  N      -5.389239      2.994396      3.715034
  N      -6.304361      3.152324      2.801863
  H      -5.911731      3.230708      1.852800
  H      -7.117924      2.451921      2.885336
90
Coordinates from ORCA-job orca E -6141.229533776374
  N      -2.749849      1.821921      4.181288
  Mo     -4.273582      2.695242      5.076545
  N      -5.425381      1.530286      6.181885
  C      -4.974716      1.043714      7.478311
  C      -3.452959      1.024296      7.499398
  N      -2.935955      2.260995      6.864048
  C      -1.574104      2.083434      6.303082
  C      -1.656565      1.301805      4.999839
  C      -3.051610      3.444453      7.751815
  C      -3.098470      4.715997      6.916905
  N      -4.000320      4.535140      5.783142
  H      -0.697820      1.420040      4.463208
  H      -1.776269      0.216085      5.190741
  H      -1.178252      3.084344      6.083582
  H      -0.907453      1.596461      7.036769
  H      -3.450351      5.546131      7.557823
  H      -2.078516      4.995361      6.587736
  H      -3.997002      3.340734      8.301388
  H      -2.224870      3.465288      8.483720
  H      -5.346173      0.019773      7.660988
  H      -5.373411      1.670188      8.301590
  H      -3.097259      0.178713      6.894956
  H      -3.052595      0.912953      8.522749
  C      -2.643093      1.478266      2.762640
  C      -3.280605      0.118992      2.397700
  C      -4.534384      0.220739      1.553422
  N      -4.677778      1.305607      0.787043
  C      -5.773701      1.378722     -0.002192
  N      -6.765242      0.508129     -0.098511
  C      -6.639328     -0.623062      0.664611
  C      -7.656607     -1.603753      0.610154
  C      -7.549629     -2.767128      1.352397
  C      -6.423742     -2.987729      2.170564
  C      -5.416936     -2.039729      2.251348
  C      -5.500763     -0.832829      1.511601
  C      -4.439617      5.776579      5.167910
  C      -3.365988      6.519306      4.330888
  C      -3.000119      5.805679      3.061406
  N      -3.923038      5.827468      2.093266
  C      -3.619056      5.214788      0.927713
  N      -2.494980      4.592956      0.603975
  C      -1.541179      4.540808      1.581723
  C      -0.321835      3.871429      1.316807
  C       0.653069      3.777347      2.294025
  C       0.448339      4.356959      3.564632
  C      -0.728842      5.027915      3.845936
  C      -1.752791      5.135852      2.869998
  C      -6.776180      1.135815      5.781249
  C      -6.749600      0.113859      4.621065
  C      -8.025633      0.084146      3.843882
  N      -8.280006      1.186816      3.104804
  C      -9.405258      1.204455      2.361281
  N     -10.328154      0.261494      2.276705
  C     -10.121121     -0.857665      3.046103
  C     -11.072995     -1.898522      3.014976
  C     -10.892967     -3.043395      3.781274
  C      -9.752645     -3.180490      4.594181
  C      -8.794371     -2.178767      4.635108
  C      -8.953583     -0.993973      3.871095
  H      -3.129846      2.254622      2.161970
  H      -1.576834      1.481167      2.482987
  H      -3.494273     -0.440214      3.320470
  H      -2.556276     -0.498429      1.835371
  H      -5.843545      2.275809     -0.628431
  H      -8.521803     -1.406890     -0.024061
  H      -8.345895     -3.512194      1.316018
  H      -6.350369     -3.909449      2.750256
  H      -4.552914     -2.223345      2.891326
  H      -5.293818      5.565439      4.511475
  H      -4.783562      6.470362      5.958821
  H      -3.804118      7.489106      4.048965
  H      -2.482181      6.727414      4.947705
  H      -4.398586      5.248010      0.158702
  H      -0.190106      3.427406      0.329140
  H       1.588265      3.255393      2.083076
  H       1.227016      4.281312      4.325969
  H      -0.868970      5.479475      4.827926
  H      -7.315386      0.711793      6.645211
  H      -7.339974      2.020995      5.452284
  H      -5.946929      0.434786      3.938420
  H      -6.473359     -0.879431      4.995708
  H      -9.557167      2.103253      1.754466
  H     -11.947541     -1.770053      2.375360
  H     -11.637997     -3.840557      3.753160
  H      -9.618225     -4.084017      5.191729
  H      -7.912420     -2.301679      5.264420
  N      -5.375865      2.987733      3.722543
  N      -6.286808      3.143169      2.804949
  H      -5.890284      3.226563      1.857610
  H      -7.100201      2.441458      2.883815
90
Coordinates from ORCA-job orca E -6141.229542725720
  N      -2.753231      1.827491      4.174352
  Mo     -4.275041      2.701141      5.072935
  N      -5.428303      1.535713      6.176505
  C      -4.976728      1.043509      7.470469
  C      -3.454843      1.022586      7.489935
  N      -2.937238      2.260969      6.858352
  C      -1.575595      2.085149      6.296055
  C      -1.658427      1.307048      4.990579
  C      -3.052431      3.441711      7.749691
  C      -3.096917      4.715652      6.918349
  N      -3.997925      4.538990      5.783271
  H      -0.700373      1.427890      4.453317
  H      -1.776450      0.220651      5.178767
  H      -1.180133      3.086771      6.079100
  H      -0.908284      1.596319      7.027918
  H      -3.448089      5.544579      7.561189
  H      -2.076308      4.994236      6.590796
  H      -3.998619      3.337464      8.297751
  H      -2.226457      3.459387      8.482545
  H      -5.348784      0.019077      7.649238
  H      -5.374259      1.666733      8.296803
  H      -3.100589      0.178897      6.882044
  H      -3.053561      0.907207      8.512476
  C      -2.650623      1.482918      2.755515
  C      -3.283558      0.120431      2.393170
  C      -4.543438      0.215187      1.557029
  N      -4.701906      1.303111      0.798096
  C      -5.804890      1.371860      0.018308
  N      -6.789879      0.493511     -0.075172
  C      -6.648124     -0.641307      0.679717
  C      -7.656955     -1.630787      0.626492
  C      -7.532657     -2.799075      1.358272
  C      -6.397795     -3.015576      2.165066
  C      -5.399504     -2.058539      2.245300
  C      -5.500755     -0.846785      1.515740
  C      -4.433695      5.782522      5.170211
  C      -3.357262      6.524566      4.336129
  C      -2.990438      5.811608      3.066424
  N      -3.910707      5.838500      2.095936
  C      -3.606502      5.225777      0.930417
  N      -2.483958      4.600394      0.608439
  C      -1.532808      4.543168      1.588412
  C      -0.314888      3.870532      1.324968
  C       0.657330      3.771464      2.304271
  C       0.451754      4.349964      3.575244
  C      -0.723649      5.024746      3.854864
  C      -1.745216      5.137194      2.877065
  C      -6.780256      1.144564      5.776346
  C      -6.755330      0.124357      4.614540
  C      -8.032592      0.092976      3.839211
  N      -8.289165      1.194016      3.098365
  C      -9.414449      1.208341      2.354830
  N     -10.335290      0.263288      2.271327
  C     -10.125738     -0.854488      3.041985
  C     -11.075467     -1.897370      3.012449
  C     -10.893181     -3.040566      3.780713
  C      -9.752655     -3.174000      4.593885
  C      -8.796546     -2.170194      4.633392
  C      -8.958279     -0.986880      3.867673
  H      -3.142631      2.257084      2.156232
  H      -1.585495      1.489917      2.471704
  H      -3.488217     -0.440670      3.316794
  H      -2.559578     -0.492695      1.825819
  H      -5.887000      2.271833     -0.602277
  H      -8.529033     -1.437288      0.000747
  H      -8.321993     -3.551481      1.322499
  H      -6.310951     -3.941117      2.736689
  H      -4.528475     -2.238907      2.876591
  H      -5.287436      5.574611      4.512166
  H      -4.777078      6.475413      5.962177
  H      -3.793538      7.495233      4.054488
  H      -2.474364      6.730626      4.954963
  H      -4.383590      5.263981      0.159218
  H      -0.182136      3.428022      0.336699
  H       1.591382      3.247027      2.094476
  H       1.228699      4.271034      4.337988
  H      -0.863650      5.476316      4.836817
  H      -7.319418      0.719719      6.639943
  H      -7.342937      2.031140      5.449305
  H      -5.954215      0.447075      3.931151
  H      -6.477113     -0.868974      4.987633
  H      -9.568310      2.106156      1.747024
  H     -11.950271     -1.771711      2.372660
  H     -11.636629     -3.839232      3.753949
  H      -9.616534     -4.076164      5.193066
  H      -7.914564     -2.290083      5.263240
  N      -5.378345      2.999709      3.721098
  N      -6.290399      3.160437      2.805586
  H      -5.895070      3.240543      1.857620
  H      -7.107262      2.463289      2.886522
90
Coordinates from ORCA-job orca E -6141.229547131536
  N      -2.758121      1.826503      4.172866
  Mo     -4.278094      2.701627      5.072724
  N      -5.429045      1.537645      6.179935
  C      -4.975176      1.047412      7.473890
  C      -3.453334      1.026803      7.490879
  N      -2.936993      2.264237      6.856445
  C      -1.576541      2.087258      6.291867
  C      -1.661880      1.306975      4.987872
  C      -3.050299      3.446418      7.746278
  C      -3.097317      4.719236      6.913282
  N      -4.000088      4.540524      5.779940
  H      -0.704822      1.426896      4.448623
  H      -1.779843      0.220875      5.177785
  H      -1.181538      3.088510      6.072365
  H      -0.907896      1.599770      7.023403
  H      -3.448166      5.548724      7.555610
  H      -2.077461      4.998524      6.583648
  H      -3.994868      3.342613      8.297234
  H      -2.222356      3.465496      8.476885
  H      -5.346827      0.023244      7.654942
  H      -5.371325      1.672038      8.299820
  H      -3.099887      0.182095      6.883913
  H      -3.050364      0.913144      8.512959
  C      -2.656153      1.482056      2.753851
  C      -3.291795      0.121141      2.390947
  C      -4.548392      0.219234      1.550357
  N      -4.700637      1.306994      0.789811
  C      -5.800399      1.378312      0.005752
  N      -6.787746      0.502946     -0.090642
  C      -6.652460     -0.631488      0.666024
  C      -7.664558     -1.617479      0.610628
  C      -7.547329     -2.784864      1.345003
  C      -6.416075     -3.004193      2.156106
  C      -5.414553     -2.050719      2.238319
  C      -5.508914     -0.839653      1.506679
  C      -4.435098      5.782916      5.163757
  C      -3.356979      6.522858      4.330139
  C      -2.985394      5.806225      3.063949
  N      -3.902785      5.827280      2.090568
  C      -3.592615      5.212508      0.927695
  N      -2.467066      4.589594      0.611161
  C      -1.518961      4.537994      1.594471
  C      -0.298062      3.868386      1.337160
  C       0.671315      3.775459      2.319957
  C       0.459489      4.356657      3.588691
  C      -0.719103      5.028225      3.862470
  C      -1.737557      5.135048      2.880658
  C      -6.780958      1.144203      5.781774
  C      -6.756411      0.123299      4.620581
  C      -8.035252      0.089267      3.847972
  N      -8.296996      1.190978      3.109940
  C      -9.424138      1.203340      2.369168
  N     -10.341895      0.255312      2.285371
  C     -10.126685     -0.863711      3.052675
  C     -11.071749     -1.910744      3.020899
  C     -10.883133     -3.055828      3.784812
  C      -9.741137     -3.186709      4.596367
  C      -8.789471     -2.178762      4.637947
  C      -8.957234     -0.993849      3.875950
  H      -3.146338      2.257426      2.154673
  H      -1.590927      1.486938      2.470344
  H      -3.501294     -0.438491      3.314396
  H      -2.567614     -0.494629      1.826652
  H      -5.877542      2.277963     -0.615931
  H      -8.533815     -1.421764     -0.018369
  H      -8.339712     -3.534068      1.308072
  H      -6.334588     -3.929046      2.729669
  H      -4.546448     -2.233334      2.873017
  H      -5.287760      5.573545      4.504747
  H      -4.779801      6.477568      5.953572
  H      -3.792721      7.492614      4.044391
  H      -2.475795      6.731201      4.950611
  H      -4.367276      5.246091      0.153792
  H      -0.160550      3.423383      0.350669
  H       1.607674      3.253247      2.114885
  H       1.233955      4.282118      4.354418
  H      -0.864550      5.481445      4.842939
  H      -7.318267      0.719348      6.646524
  H      -7.345328      2.029711      5.454786
  H      -5.957358      0.447194      3.935217
  H      -6.475601     -0.869414      4.993352
  H      -9.582438      2.102049      1.763810
  H     -11.947821     -1.786995      2.382446
  H     -11.622537     -3.858130      3.755683
  H      -9.600077     -4.090358      5.192192
  H      -7.905954     -2.296952      5.265970
  N      -5.383731      2.996730      3.722165
  N      -6.296400      3.154861      2.806842
  H      -5.901976      3.233890      1.858346
  H      -7.112093      2.456501      2.889643
90
Coordinates from ORCA-job orca E -6141.229548211272
  N      -2.753781      1.828823      4.168903
  Mo     -4.276250      2.699571      5.068880
  N      -5.425459      1.532213      6.174566
  C      -4.970177      1.039405      7.467013
  C      -3.448241      1.022775      7.483904
  N      -2.935315      2.263176      6.852531
  C      -1.573874      2.091962      6.288496
  C      -1.655666      1.312880      4.983538
  C      -3.053553      3.443257      7.744444
  C      -3.102470      4.717528      6.913707
  N      -4.002431      4.538303      5.778182
  H      -0.698987      1.437521      4.444680
  H      -1.769060      0.226027      5.172069
  H      -1.182506      3.094928      6.070322
  H      -0.903767      1.606022      7.019725
  H      -3.457011      5.544800      7.556873
  H      -2.082773      5.000278      6.586741
  H      -3.999027      3.335776      8.293124
  H      -2.227183      3.463214      8.476801
  H      -5.339092      0.013714      7.645075
  H      -5.367984      1.660466      8.294837
  H      -3.092466      0.180593      6.874793
  H      -3.045016      0.907712      8.505727
  C      -2.653053      1.482569      2.750283
  C      -3.290478      0.121831      2.390093
  C      -4.547851      0.220094      1.550587
  N      -4.700498      1.307263      0.789260
  C      -5.801000      1.378258      0.006169
  N      -6.788870      0.503298     -0.088296
  C      -6.653395     -0.630390      0.669470
  C      -7.666165     -1.615785      0.616345
  C      -7.549021     -2.782229      1.352276
  C      -6.417239     -3.001134      2.162697
  C      -5.414854     -2.048291      2.242437
  C      -5.509067     -0.838277      1.509091
  C      -4.438730      5.780522      5.162791
  C      -3.361039      6.523488      4.331183
  C      -2.986298      5.807789      3.065323
  N      -3.902170      5.828120      2.090516
  C      -3.590059      5.212963      0.928350
  N      -2.463879      4.590169      0.613861
  C      -1.517100      4.539640      1.598465
  C      -0.295604      3.870183      1.343303
  C       0.672323      3.778074      2.327585
  C       0.458704      4.360438      3.595481
  C      -0.720414      5.031993      3.867079
  C      -1.737758      5.137331      2.884022
  C      -6.777743      1.139334      5.777294
  C      -6.754537      0.117674      4.616710
  C      -8.033154      0.085098      3.843836
  N      -8.291641      1.185876      3.103274
  C      -9.418666      1.199968      2.362443
  N     -10.339651      0.254809      2.281529
  C     -10.128352     -0.862611      3.052318
  C     -11.077859     -1.905745      3.025098
  C     -10.893528     -3.048791      3.793144
  C      -9.751298     -3.181691      4.603995
  C      -8.795286     -2.177682      4.641069
  C      -8.958826     -0.994722      3.875162
  H      -3.143345      2.257460      2.150527
  H      -1.588118      1.486432      2.465786
  H      -3.500345     -0.435510      3.314905
  H      -2.567681     -0.496366      1.826721
  H      -5.878198      2.277243     -0.616475
  H      -8.535879     -1.420348     -0.012095
  H      -8.341796     -3.531069      1.317016
  H      -6.335872     -3.925259      2.737450
  H      -4.546189     -2.230558      2.876479
  H      -5.290146      5.570313      4.502447
  H      -4.785663      6.473694      5.952963
  H      -3.799026      7.492081      4.045033
  H      -2.481329      6.733878      4.953059
  H      -4.363672      5.245830      0.153368
  H      -0.156427      3.424593      0.357271
  H       1.609129      3.256010      2.124180
  H       1.232270      4.286991      4.362220
  H      -0.866908      5.486441      4.846775
  H      -7.314896      0.715250      6.642503
  H      -7.341704      2.025121      5.450353
  H      -5.954934      0.439930      3.931258
  H      -6.475330     -0.875165      4.990341
  H      -9.573839      2.097513      1.754531
  H     -11.954037     -1.780514      2.387086
  H     -11.636623     -3.847829      3.767910
  H      -9.613584     -4.083745      5.203003
  H      -7.911793     -2.297295      5.268853
  N      -5.381887      2.993484      3.718142
  N      -6.294002      3.150884      2.801977
  H      -5.897854      3.229864      1.854229
  H      -7.107985      2.449712      2.882654
90
Coordinates from ORCA-job orca E -6141.229549605539
  N      -2.754438      1.826943      4.173580
  Mo     -4.275838      2.700869      5.072537
  N      -5.427377      1.535687      6.177899
  C      -4.974319      1.045007      7.471996
  C      -3.452470      1.025152      7.490350
  N      -2.936237      2.263305      6.857238
  C      -1.575115      2.087609      6.293837
  C      -1.658755      1.307790      4.989507
  C      -3.051107      3.444780      7.747714
  C      -3.098026      4.718064      6.915412
  N      -3.999522      4.539488      5.781031
  H      -0.701198      1.428266      4.451268
  H      -1.776331      0.221565      5.179037
  H      -1.180618      3.089239      6.075121
  H      -0.906754      1.600276      7.025738
  H      -3.449980      5.546949      7.557891
  H      -2.077967      4.998033      6.587075
  H      -3.996121      3.340069      8.297724
  H      -2.223843      3.463850      8.479092
  H      -5.345587      0.020543      7.652146
  H      -5.371527      1.668944      8.297929
  H      -3.098010      0.181041      6.883145
  H      -3.050380      0.911057      8.512724
  C      -2.652059      1.481445      2.754951
  C      -3.288156      0.120363      2.393684
  C      -4.545076      0.218111      1.553512
  N      -4.697773      1.305386      0.792400
  C      -5.797903      1.376120      0.008755
  N      -6.785178      0.500610     -0.086669
  C      -6.649579     -0.633233      0.670854
  C      -7.661694     -1.619275      0.616653
  C      -7.544261     -2.785910      1.352171
  C      -6.412923     -3.004370      2.163384
  C      -5.411327     -2.050878      2.244285
  C      -5.505774     -0.840679      1.511249
  C      -4.435875      5.782182      5.166344
  C      -3.358849      6.523684      4.332750
  C      -2.989265      5.809202      3.064748
  N      -3.907657      5.833819      2.092423
  C      -3.600058      5.220600      0.928058
  N      -2.476046      4.596216      0.609081
  C      -1.526914      4.541043      1.591197
  C      -0.307830      3.869152      1.331296
  C       0.662302      3.772023      2.312923
  C       0.453193      4.351490      3.582884
  C      -0.723525      5.025346      3.859157
  C      -1.742867      5.136127      2.878755
  C      -6.779115      1.142390      5.779008
  C      -6.754244      0.121508      4.617752
  C      -8.032214      0.088844      3.843688
  N      -8.291281      1.190586      3.104701
  C      -9.417691      1.204618      2.362871
  N     -10.337368      0.258476      2.279231
  C     -10.125228     -0.860235      3.047917
  C     -11.073110     -1.904711      3.017285
  C     -10.888033     -3.049151      3.783076
  C      -9.746584     -3.182045      4.595038
  C      -8.792140     -2.176653      4.635476
  C      -8.956487     -0.992282      3.871902
  H      -3.142237      2.256314      2.155106
  H      -1.586820      1.486112      2.471522
  H      -3.498013     -0.437642      3.318059
  H      -2.564563     -0.496954      1.830352
  H      -5.875364      2.275432     -0.613379
  H      -8.531076     -1.424230     -0.012367
  H      -8.336478     -3.535295      1.315999
  H      -6.331349     -3.928624      2.737891
  H      -4.543060     -2.232819      2.878955
  H      -5.288928      5.572951      4.507804
  H      -4.780428      6.475656      5.957254
  H      -3.794790      7.493956      4.049092
  H      -2.477007      6.731060      4.952663
  H      -4.375676      5.256873      0.155247
  H      -0.172439      3.425665      0.343832
  H       1.597261      3.248106      2.105854
  H       1.228311      4.273815      4.347632
  H      -0.866633      5.477178      4.840593
  H      -7.316869      0.717398      6.643396
  H      -7.343127      2.028102      5.451961
  H      -5.954154      0.444571      3.933229
  H      -6.474902     -0.871463      4.990969
  H      -9.573481      2.103145      1.756606
  H     -11.948687     -1.779383      2.378469
  H     -11.629877     -3.849260      3.755177
  H      -9.608271     -4.085146      5.192327
  H      -7.909252     -2.296262      5.264118
  N      -5.380423      2.995721      3.721141
  N      -6.291920      3.153391      2.804534
  H      -5.895842      3.232207      1.856700
  H      -7.107600      2.454424      2.886133
90
Coordinates from ORCA-job orca E -6141.229549087629
  N      -2.756055      1.828676      4.169825
  Mo     -4.276871      2.701553      5.070713
  N      -5.426879      1.535575      6.176873
  C      -4.971591      1.042549      7.469279
  C      -3.449673      1.024190      7.485590
  N      -2.935446      2.263777      6.853665
  C      -1.574606      2.090626      6.288797
  C      -1.658163      1.311498      4.984002
  C      -3.051376      3.444153      7.745479
  C      -3.099496      4.718355      6.914581
  N      -4.000338      4.539964      5.779635
  H      -0.701613      1.434718      4.444593
  H      -1.772936      0.224830      5.172775
  H      -1.182091      3.093055      6.070249
  H      -0.904664      1.603967      7.019697
  H      -3.452746      5.546106      7.557831
  H      -2.079683      4.999951      6.586976
  H      -3.996358      3.337929      8.295241
  H      -2.224200      3.463206      8.476953
  H      -5.341577      0.017318      7.647748
  H      -5.368382      1.664303      8.297062
  H      -3.095150      0.181398      6.876597
  H      -3.046177      0.908883      8.507278
  C      -2.656035      1.482151      2.751165
  C      -3.292859      0.120944      2.391412
  C      -4.549701      0.217905      1.550967
  N      -4.703400      1.305215      0.790057
  C      -5.803793      1.375233      0.006706
  N      -6.790585      0.499115     -0.088388
  C      -6.653893     -0.634825      0.668801
  C      -7.665380     -1.621510      0.614873
  C      -7.546656     -2.788447      1.349780
  C      -6.414568     -3.006538      2.160002
  C      -5.413602     -2.052297      2.240762
  C      -5.509455     -0.841760      1.508475
  C      -4.436251      5.782603      5.164632
  C      -3.358736      6.524337      4.331790
  C      -2.985683      5.807534      3.066077
  N      -3.903114      5.826602      2.092726
  C      -3.592955      5.209795      0.930925
  N      -2.467356      4.586502      0.615471
  C      -1.518970      4.537324      1.598598
  C      -0.297933      3.867575      1.342279
  C       0.671835      3.777137      2.324901
  C       0.460479      4.361494      3.592255
  C      -0.718255      5.033253      3.864992
  C      -1.737395      5.136966      2.883616
  C      -6.779193      1.142814      5.779529
  C      -6.755603      0.122234      4.618000
  C      -8.034251      0.089359      3.845096
  N      -8.294083      1.190807      3.105950
  C      -9.420887      1.204266      2.364730
  N     -10.340245      0.257718      2.281785
  C     -10.127278     -0.860715      3.050607
  C     -11.074635     -1.905710      3.020602
  C     -10.888504     -3.049956      3.786414
  C      -9.746594     -3.182150      4.597834
  C      -8.792685     -2.176253      4.637658
  C      -8.958095     -0.992064      3.874054
  H      -3.146803      2.256853      2.151552
  H      -1.591229      1.486403      2.466183
  H      -3.503225     -0.435728      3.316506
  H      -2.569485     -0.497550      1.829126
  H      -5.882011      2.274489     -0.615409
  H      -8.535285     -1.426790     -0.013522
  H      -8.338415     -3.538337      1.313841
  H      -6.331947     -3.931026      2.733978
  H      -4.544775     -2.233892      2.874762
  H      -5.288529      5.573030      4.505204
  H      -4.781837      6.476106      5.955094
  H      -3.796001      7.493192      4.045412
  H      -2.478343      6.734390      4.952821
  H      -4.367767      5.241711      0.157130
  H      -0.160601      3.420481      0.356700
  H       1.608327      3.254879      2.120580
  H       1.235437      4.289337      4.357704
  H      -0.863043      5.489203      4.844245
  H      -7.316165      0.717877      6.644437
  H      -7.343286      2.028742      5.453240
  H      -5.956341      0.445716      3.932777
  H      -6.475641     -0.870777      4.990625
  H      -9.577343      2.102590      1.758327
  H     -11.950577     -1.780985      2.382174
  H     -11.629873     -3.850507      3.758917
  H      -9.607451     -4.085136      5.195098
  H      -7.909362     -2.295343      5.265785
  N      -5.383228      2.996259      3.720775
  N      -6.295416      3.154282      2.804814
  H      -5.899761      3.230844      1.856604
  H      -7.111449      2.455893      2.887600
90
Coordinates from ORCA-job orca E -6141.229550285614
  N      -2.755634      1.828194      4.170937
  Mo     -4.276575      2.701481      5.071254
  N      -5.427062      1.535637      6.176978
  C      -4.972605      1.043786      7.470153
  C      -3.450720      1.024803      7.487243
  N      -2.935690      2.263785      6.854777
  C      -1.574821      2.089566      6.290315
  C      -1.658580      1.310153      4.985729
  C      -3.050963      3.444583      7.746120
  C      -3.098958      4.718449      6.914719
  N      -4.000217      4.539926      5.780139
  H      -0.701666      1.432174      4.446693
  H      -1.774559      0.223673      5.174827
  H      -1.181545      3.091679      6.071634
  H      -0.905417      1.602669      7.021554
  H      -3.451741      5.546560      7.557760
  H      -2.079130      4.999621      6.586692
  H      -3.995709      3.338879      8.296394
  H      -2.223459      3.463678      8.477226
  H      -5.343122      0.018908      7.649502
  H      -5.369513      1.666604      8.297077
  H      -3.096234      0.181421      6.879044
  H      -3.047775      0.910043      8.509211
  C      -2.654777      1.482090      2.752274
  C      -3.291457      0.120983      2.392082
  C      -4.548022      0.218357      1.551299
  N      -4.701156      1.305716      0.790355
  C      -5.801291      1.376078      0.006665
  N      -6.788274      0.500234     -0.088802
  C      -6.652207     -0.633697      0.668514
  C      -7.663977     -1.620076      0.614279
  C      -7.545959     -2.786898      1.349449
  C      -6.414330     -3.005201      2.160274
  C      -5.413076     -2.051313      2.241276
  C      -5.508180     -0.840910      1.508671
  C      -4.436254      5.782635      5.165248
  C      -3.358658      6.524240      4.332491
  C      -2.986755      5.808610      3.065794
  N      -3.904188      5.830405      2.092505
  C      -3.594616      5.215542      0.929518
  N      -2.469603      4.591769      0.612868
  C      -1.521367      4.539572      1.596004
  C      -0.301144      3.868780      1.338553
  C       0.668295      3.775042      2.321199
  C       0.457337      4.356896      3.589771
  C      -0.720575      5.029626      3.863662
  C      -1.739270      5.136898      2.882190
  C      -6.779069      1.142317      5.779049
  C      -6.754941      0.120952      4.618199
  C      -8.033234      0.087926      3.844700
  N      -8.292334      1.189028      3.104763
  C      -9.418910      1.202539      2.363183
  N     -10.338716      0.256412      2.280597
  C     -10.126510     -0.861647      3.050202
  C     -11.074438     -1.906121      3.020649
  C     -10.889217     -3.049931      3.787347
  C      -9.747626     -3.182177      4.599209
  C      -8.793146     -2.176792      4.638597
  C      -8.957607     -0.993062      3.874056
  H      -3.145357      2.256874      2.152639
  H      -1.589827      1.486520      2.467798
  H      -3.502226     -0.435753      3.317042
  H      -2.567953     -0.497557      1.829998
  H      -5.879070      2.275396     -0.615417
  H      -8.533564     -1.425186     -0.014508
  H      -8.337947     -3.536530      1.313271
  H      -6.332266     -3.929598      2.734480
  H      -4.544583     -2.233114      2.875680
  H      -5.288706      5.573222      4.505987
  H      -4.781600      6.476062      5.955864
  H      -3.795023      7.493871      4.047313
  H      -2.477790      6.732884      4.953337
  H      -4.369411      5.249679      0.155786
  H      -0.164233      3.423497      0.352097
  H       1.604140      3.251963      2.116013
  H       1.231950      4.281979      4.355308
  H      -0.865138      5.483411      4.843979
  H      -7.316346      0.717740      6.643938
  H      -7.343173      2.027962      5.451996
  H      -5.955214      0.443680      3.933124
  H      -6.475487     -0.871877      4.991692
  H      -9.574735      2.100564      1.756170
  H     -11.950131     -1.781320      2.381889
  H     -11.631052     -3.850072      3.760220
  H      -9.609197     -4.084794      5.197203
  H      -7.910116     -2.295906      5.267134
  N      -5.382317      2.995893      3.720785
  N      -6.293830      3.153409      2.804114
  H      -5.897499      3.231413      1.856304
  H      -7.109160      2.454038      2.885749
90
Coordinates from ORCA-job orca E -6141.229550713709
  N      -2.754966      1.828232      4.171023
  Mo     -4.276110      2.701496      5.071174
  N      -5.426748      1.535583      6.176663
  C      -4.972290      1.043541      7.469779
  C      -3.450404      1.024756      7.487028
  N      -2.935473      2.263910      6.854818
  C      -1.574496      2.089972      6.290532
  C      -1.657943      1.310468      4.985997
  C      -3.051084      3.444589      7.746251
  C      -3.099083      4.718532      6.914934
  N      -3.999983      4.539946      5.780070
  H      -0.700963      1.432604      4.447098
  H      -1.773734      0.223973      5.175166
  H      -1.181409      3.092160      6.071855
  H      -0.905060      1.603245      7.021854
  H      -3.452175      5.546522      7.557950
  H      -2.079201      4.999868      6.587252
  H      -3.995911      3.338693      8.296348
  H      -2.223710      3.463720      8.477503
  H      -5.342670      0.018574      7.648901
  H      -5.369364      1.666128      8.296793
  H      -3.095731      0.181524      6.878729
  H      -3.047560      0.909890      8.509022
  C      -2.654248      1.481539      2.752531
  C      -3.291465      0.120499      2.393126
  C      -4.547859      0.218049      1.552111
  N      -4.700677      1.305306      0.790974
  C      -5.800736      1.375785      0.007166
  N      -6.787902      0.500165     -0.088222
  C      -6.652211     -0.633630      0.669381
  C      -7.664315     -1.619681      0.615396
  C      -7.546760     -2.786264      1.351013
  C      -6.415281     -3.004668      2.162022
  C      -5.413697     -2.051111      2.242738
  C      -5.508340     -0.840943      1.509693
  C      -4.436287      5.782653      5.165342
  C      -3.358915      6.524491      4.332528
  C      -2.987158      5.808890      3.065762
  N      -3.904709      5.830941      2.092593
  C      -3.595536      5.215898      0.929600
  N      -2.470758      4.591785      0.612810
  C      -1.522364      4.539401      1.595787
  C      -0.302418      3.868175      1.338164
  C       0.667127      3.774100      2.320674
  C       0.456603      4.356184      3.589204
  C      -0.721009      5.029396      3.863232
  C      -1.739873      5.136868      2.881976
  C      -6.778784      1.142325      5.778769
  C      -6.754695      0.121525      4.617409
  C      -8.033155      0.088507      3.844189
  N      -8.292852      1.190044      3.105101
  C      -9.419616      1.203687      2.363815
  N     -10.339094      0.257294      2.280782
  C     -10.126350     -0.861189      3.049642
  C     -11.073971     -1.905914      3.019678
  C     -10.888233     -3.050152      3.785624
  C      -9.746374     -3.182581      4.597071
  C      -8.792164     -2.176947      4.636829
  C      -8.957187     -0.992771      3.873101
  H      -3.144718      2.256200      2.152639
  H      -1.589333      1.485624      2.467934
  H      -3.502881     -0.435300      3.318511
  H      -2.568257     -0.499056      1.831789
  H      -5.878218      2.275011     -0.615085
  H      -8.533791     -1.424717     -0.013516
  H      -8.338987     -3.535654      1.315044
  H      -6.333591     -3.928886      2.736568
  H      -4.545320     -2.232959      2.877286
  H      -5.288794      5.573164      4.506179
  H      -4.781649      6.475904      5.956102
  H      -3.795411      7.494068      4.047369
  H      -2.478051      6.733309      4.953342
  H      -4.370481      5.250173      0.156024
  H      -0.165822      3.422816      0.351697
  H       1.602769      3.250711      2.115354
  H       1.231332      4.281093      4.354607
  H      -0.865124      5.483397      4.843508
  H      -7.315885      0.717267      6.643526
  H      -7.342973      2.028097      5.452222
  H      -5.955263      0.444850      3.932286
  H      -6.474862     -0.871407      4.990361
  H      -9.575837      2.102069      1.757436
  H     -11.949868     -1.780957      2.381229
  H     -11.629870     -3.850464      3.758219
  H      -9.607521     -4.085533      5.194461
  H      -7.908912     -2.296205      5.265028
  N      -5.381724      2.995514      3.720563
  N      -6.292804      3.152722      2.803377
  H      -5.895915      3.228999      1.855649
  H      -7.108710      2.454008      2.885581
