90
Coordinates from ORCA-job orca E -6140.941030108119
  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      -4.110748      2.835723      1.104482
  H      -5.726273      2.981552      1.750558
90
Coordinates from ORCA-job orca E -6140.919867175711
  N      -2.832731      0.594539      4.970507
  Mo     -3.476886      2.498617      5.038843
  N      -5.088235      2.259180      6.122985
  C      -4.946908      2.319232      7.563786
  C      -3.622342      1.652129      7.954604
  N      -2.530913      2.165804      7.092608
  C      -1.485372      1.149641      6.920699
  C      -2.028596      0.028835      6.035776
  C      -1.974698      3.428823      7.623529
  C      -1.907979      4.454054      6.474476
  N      -3.134165      4.310594      5.723659
  H      -1.179284     -0.539032      5.624714
  H      -2.619854     -0.677498      6.644226
  H      -0.638293      1.619911      6.407942
  H      -1.146620      0.754610      7.890441
  H      -1.777133      5.464722      6.882337
  H      -1.051707      4.225967      5.825777
  H      -2.647123      3.821692      8.392828
  H      -0.988113      3.267984      8.072803
  H      -5.772093      1.806813      8.080001
  H      -4.951141      3.369031      7.908059
  H      -3.732031      0.580181      7.772277
  H      -3.392699      1.806924      9.017279
  C      -2.641318     -0.089249      3.703279
  C      -3.628313     -1.292081      3.603363
  C      -4.763643     -1.226300      2.606071
  N      -4.913954     -0.147965      1.843554
  C      -5.920285     -0.157582      0.950027
  N      -6.767711     -1.117187      0.701086
  C      -6.667512     -2.226181      1.482279
  C      -7.578366     -3.278801      1.295682
  C      -7.501827     -4.403172      2.086976
  C      -6.513047     -4.509974      3.076269
  C      -5.603982     -3.495027      3.275572
  C      -5.653998     -2.327659      2.482273
  C      -4.113013      5.333534      6.003491
  C      -4.041241      6.590470      5.076040
  C      -4.340465      6.229413      3.660594
  N      -5.647176      6.149367      3.382863
  C      -6.007900      5.823658      2.142425
  N      -5.219273      5.543820      1.130078
  C      -3.876930      5.621609      1.373112
  C      -2.998200      5.346565      0.319396
  C      -1.636290      5.448887      0.508373
  C      -1.122138      5.813946      1.761743
  C      -1.964711      6.066139      2.822058
  C      -3.363734      5.974816      2.659541
  C      -6.383368      1.944479      5.563591
  C      -6.217038      0.789989      4.542822
  C      -7.095568      0.924333      3.341123
  N      -6.991436      2.100474      2.716735
  C      -7.741524      2.310731      1.628142
  N      -8.603016      1.487634      1.090632
  C      -8.731416      0.269534      1.687015
  C      -9.629674     -0.664666      1.135421
  C      -9.773169     -1.905915      1.710653
  C      -9.030207     -2.252346      2.850584
  C      -8.149777     -1.360578      3.413002
  C      -7.976572     -0.075069      2.854080
  H      -2.830490      0.607063      2.881687
  H      -1.607606     -0.461831      3.591968
  H      -4.074779     -1.431111      4.595646
  H      -3.067051     -2.202855      3.365659
  H      -6.014342      0.735111      0.336016
  H      -8.331651     -3.168054      0.526717
  H      -8.209125     -5.210514      1.942830
  H      -6.465849     -5.401237      3.689772
  H      -4.845429     -3.586643      4.042707
  H      -5.119274      4.914228      5.866402
  H      -3.997251      5.696358      7.037397
  H      -4.814569      7.289017      5.405331
  H      -3.059703      7.054977      5.185294
  H      -7.082065      5.771454      1.949836
  H      -3.433478      5.065473     -0.629476
  H      -0.960423      5.247885     -0.313483
  H      -0.050389      5.892173      1.895461
  H      -1.549818      6.337177      3.784140
  H      -7.119444      1.674675      6.335952
  H      -6.792552      2.816160      5.024932
  H      -5.181089      0.904611      4.202614
  H      -6.341915     -0.175493      5.037176
  H      -7.610160      3.286797      1.152850
  H     -10.185830     -0.370605      0.254803
  H     -10.459372     -2.625874      1.283867
  H      -9.152687     -3.234397      3.290106
  H      -7.583828     -1.647869      4.290477
  N      -4.218472      2.829845      3.116623
  N      -4.660966      3.039393      1.974163
  H      -4.041790      3.051770      1.150235
  H      -5.659698      3.199355      1.821842
90
Coordinates from ORCA-job orca E -6140.993489889504
  N      -2.716967      0.553996      5.080614
  Mo     -3.381588      2.451156      5.079449
  N      -5.049382      2.253382      6.093014
  C      -4.959189      2.365045      7.538470
  C      -3.662073      1.700238      8.011657
  N      -2.532641      2.185509      7.179973
  C      -1.473562      1.163961      7.081075
  C      -1.964347      0.013324      6.199959
  C      -2.008848      3.474004      7.698737
  C      -1.899869      4.469522      6.525465
  N      -3.096934      4.288813      5.724589
  H      -1.089471     -0.555760      5.846570
  H      -2.580391     -0.687639      6.792733
  H      -0.605648      1.626438      6.593108
  H      -1.176988      0.800129      8.078400
  H      -1.798647      5.493490      6.912304
  H      -1.011195      4.238107      5.920753
  H      -2.721405      3.881293      8.425370
  H      -1.042119      3.334446      8.199537
  H      -5.811548      1.878479      8.036264
  H      -4.965838      3.427355      7.847081
  H      -3.769130      0.620966      7.864521
  H      -3.476016      1.892367      9.078465
  C      -2.465896     -0.143323      3.818538
  C      -3.443630     -1.341745      3.625471
  C      -4.478639     -1.173612      2.532861
  N      -4.472261     -0.040706      1.840142
  C      -5.374570      0.101283      0.850187
  N      -6.256206     -0.773150      0.440831
  C      -6.320984     -1.936196      1.146490
  C      -7.298037     -2.883871      0.793742
  C      -7.418226     -4.050297      1.512693
  C      -6.549364     -4.317032      2.588712
  C      -5.571332     -3.410829      2.948487
  C      -5.432406     -2.193044      2.239660
  C      -4.119754      5.297908      5.931396
  C      -4.100291      6.543470      4.983093
  C      -4.391105      6.143914      3.571662
  N      -5.695651      5.986070      3.305358
  C      -6.051971      5.615604      2.066645
  N      -5.250685      5.362347      1.054098
  C      -3.913404      5.514776      1.290978
  C      -3.027002      5.245918      0.240065
  C      -1.668773      5.416516      0.416187
  C      -1.163667      5.844476      1.658766
  C      -2.012983      6.084877      2.719068
  C      -3.409351      5.921424      2.566804
  C      -6.362489      1.936377      5.545881
  C      -6.339121      0.711623      4.595732
  C      -7.270467      0.822614      3.428210
  N      -7.113240      1.908497      2.672173
  C      -7.909888      2.076346      1.603313
  N      -8.864388      1.269679      1.196450
  C      -9.046828      0.131982      1.932932
  C     -10.030362     -0.800596      1.531900
  C     -10.217328     -1.960634      2.254690
  C      -9.448642     -2.220871      3.403900
  C      -8.485991     -1.334332      3.818877
  C      -8.254548     -0.140903      3.098515
  H      -2.615627      0.553492      2.987587
  H      -1.424613     -0.508833      3.768069
  H      -3.969992     -1.506345      4.576157
  H      -2.886895     -2.262852      3.406313
  H      -5.333799      1.037710      0.294965
  H      -7.956152     -2.650887     -0.037105
  H      -8.197205     -4.760195      1.246550
  H      -6.656026     -5.243896      3.146080
  H      -4.911943     -3.622948      3.785345
  H      -5.108243      4.840704      5.781073
  H      -4.041713      5.683509      6.961485
  H      -4.911800      7.206527      5.301059
  H      -3.144037      7.064990      5.088135
  H      -7.126806      5.472954      1.882099
  H      -3.460574      4.907514     -0.693610
  H      -0.986336      5.219536     -0.406196
  H      -0.092363      5.976404      1.784153
  H      -1.605306      6.399398      3.675180
  H      -7.084744      1.739536      6.352706
  H      -6.741558      2.800240      4.973651
  H      -5.319323      0.701188      4.192670
  H      -6.517202     -0.199903      5.173554
  H      -7.723559      2.999347      1.026757
  H     -10.609711     -0.575060      0.641463
  H     -10.953790     -2.693065      1.939329
  H      -9.610604     -3.138642      3.961168
  H      -7.892807     -1.558597      4.700608
  N      -3.983600      2.717339      3.147961
  N      -4.348720      2.890845      1.974854
  H      -3.676936      2.879874      1.185774
  H      -5.338545      3.046386      1.759200
90
Coordinates from ORCA-job orca E -6141.018239393214
  N      -2.666262      0.553800      5.060479
  Mo     -3.373702      2.443513      5.079024
  N      -5.044017      2.241163      6.073797
  C      -4.957021      2.348506      7.524687
  C      -3.666313      1.681417      8.004673
  N      -2.527117      2.177024      7.179466
  C      -1.449789      1.163786      7.080220
  C      -1.914437      0.018396      6.188844
  C      -2.011987      3.473929      7.705076
  C      -1.903873      4.469325      6.536040
  N      -3.106918      4.294690      5.727112
  H      -1.028984     -0.537899      5.839580
  H      -2.527013     -0.695812      6.773001
  H      -0.583873      1.644906      6.602182
  H      -1.154108      0.801241      8.080196
  H      -1.805984      5.495333      6.922829
  H      -1.008826      4.244402      5.935651
  H      -2.730185      3.874121      8.432752
  H      -1.046038      3.333193      8.211528
  H      -5.815284      1.862120      8.013409
  H      -4.963571      3.410618      7.837904
  H      -3.766166      0.599833      7.853966
  H      -3.484987      1.871431      9.074478
  C      -2.400984     -0.159394      3.797523
  C      -3.376479     -1.358483      3.606165
  C      -4.411517     -1.189341      2.511962
  N      -4.401663     -0.062480      1.815810
  C      -5.318872      0.089800      0.829592
  N      -6.217187     -0.782375      0.430865
  C      -6.279881     -1.944203      1.145805
  C      -7.278359     -2.885884      0.816618
  C      -7.408787     -4.041256      1.555391
  C      -6.523896     -4.311142      2.624305
  C      -5.524643     -3.414965      2.957334
  C      -5.380281     -2.204333      2.232573
  C      -4.126455      5.318075      5.932728
  C      -4.105985      6.561143      4.985778
  C      -4.416838      6.170223      3.573819
  N      -5.720012      6.010817      3.315444
  C      -6.081131      5.628576      2.070290
  N      -5.278581      5.368673      1.055079
  C      -3.939929      5.519928      1.294788
  C      -3.039853      5.214452      0.255453
  C      -1.680232      5.374629      0.441223
  C      -1.179887      5.827661      1.683712
  C      -2.038606      6.094967      2.732201
  C      -3.437800      5.940372      2.568412
  C      -6.356058      1.935855      5.499506
  C      -6.356608      0.717857      4.541107
  C      -7.300227      0.851072      3.379651
  N      -7.139155      1.927498      2.608026
  C      -7.965356      2.097434      1.549975
  N      -8.937115      1.294002      1.162551
  C      -9.113264      0.163318      1.911780
  C     -10.103171     -0.774585      1.526922
  C     -10.282034     -1.931202      2.259707
  C      -9.506261     -2.181677      3.412910
  C      -8.537116     -1.290403      3.812412
  C      -8.306283     -0.104404      3.071901
  H      -2.548581      0.529443      2.959258
  H      -1.358383     -0.520976      3.755977
  H      -3.909412     -1.517234      4.557316
  H      -2.820049     -2.285351      3.395130
  H      -5.275602      1.029930      0.271522
  H      -7.950527     -2.650006     -0.007740
  H      -8.214645     -4.737304      1.315440
  H      -6.638717     -5.231328      3.199029
  H      -4.855028     -3.628276      3.791323
  H      -5.119384      4.865179      5.792459
  H      -4.038947      5.700764      6.964231
  H      -4.911779      7.229821      5.314839
  H      -3.142487      7.078587      5.083605
  H      -7.155627      5.476067      1.890099
  H      -3.470183      4.845072     -0.672123
  H      -0.988710      5.148241     -0.371550
  H      -0.104498      5.951460      1.817990
  H      -1.636634      6.420125      3.692149
  H      -7.078585      1.746435      6.307935
  H      -6.721551      2.808891      4.932355
  H      -5.340843      0.679501      4.124556
  H      -6.546319     -0.195300      5.115763
  H      -7.787176      3.017529      0.966965
  H     -10.690875     -0.558115      0.634458
  H     -11.015133     -2.675801      1.948835
  H      -9.664139     -3.099426      3.980059
  H      -7.932801     -1.509248      4.692058
  N      -3.957856      2.670091      3.245521
  N      -4.341063      2.843293      2.067284
  H      -3.691135      2.831179      1.261216
  H      -5.340177      2.996941      1.877480
90
Coordinates from ORCA-job orca E -6141.036612470251
  N      -2.650122      0.569166      5.030185
  Mo     -3.385707      2.453064      5.075083
  N      -5.050266      2.247076      6.063546
  C      -4.954042      2.349181      7.516355
  C      -3.663636      1.680640      7.992447
  N      -2.522475      2.184533      7.168089
  C      -1.432935      1.178624      7.057366
  C      -1.887269      0.038145      6.159057
  C      -2.007098      3.485339      7.697551
  C      -1.906603      4.480654      6.531654
  N      -3.121921      4.316970      5.727523
  H      -0.998251     -0.509127      5.804479
  H      -2.492226     -0.686192      6.740570
  H      -0.573948      1.676116      6.581579
  H      -1.129902      0.816498      8.055595
  H      -1.805401      5.507254      6.917301
  H      -1.012856      4.260026      5.926395
  H      -2.722320      3.879283      8.432476
  H      -1.039130      3.339004      8.200329
  H      -5.813453      1.861055      8.001958
  H      -4.960412      3.410130      7.832670
  H      -3.756612      0.598047      7.837418
  H      -3.478859      1.867059      9.062701
  C      -2.389075     -0.160630      3.769387
  C      -3.349728     -1.367909      3.588655
  C      -4.382120     -1.195578      2.491211
  N      -4.363775     -0.070636      1.795760
  C      -5.282681      0.093010      0.806412
  N      -6.190390     -0.773630      0.407402
  C      -6.257087     -1.937072      1.125182
  C      -7.264929     -2.874799      0.799357
  C      -7.403553     -4.027617      1.542546
  C      -6.517642     -4.302897      2.612213
  C      -5.510801     -3.413259      2.939923
  C      -5.359497     -2.205348      2.211694
  C      -4.137690      5.343087      5.936338
  C      -4.112230      6.571549      4.980482
  C      -4.441363      6.167120      3.572835
  N      -5.740262      6.008732      3.313995
  C      -6.093459      5.607380      2.064205
  N      -5.286473      5.331429      1.054273
  C      -3.949268      5.479677      1.302352
  C      -3.029140      5.146238      0.278651
  C      -1.672365      5.300280      0.483524
  C      -1.186128      5.775294      1.726831
  C      -2.059280      6.067201      2.756245
  C      -3.458395      5.918448      2.573989
  C      -6.359947      1.948844      5.478837
  C      -6.361219      0.732440      4.523493
  C      -7.303313      0.872766      3.360377
  N      -7.135477      1.938147      2.575715
  C      -7.973762      2.095683      1.517630
  N      -8.949300      1.290230      1.142384
  C      -9.125076      0.170755      1.905348
  C     -10.116938     -0.771282      1.531275
  C     -10.297675     -1.918413      2.276772
  C      -9.523586     -2.156851      3.437136
  C      -8.552039     -1.261108      3.826034
  C      -8.318033     -0.084157      3.067060
  H      -2.547396      0.516295      2.924283
  H      -1.343700     -0.510719      3.732250
  H      -3.884149     -1.528702      4.539907
  H      -2.789784     -2.295814      3.386250
  H      -5.231344      1.036893      0.252594
  H      -7.938440     -2.634985     -0.024586
  H      -8.218591     -4.716758      1.307812
  H      -6.638845     -5.221365      3.190441
  H      -4.840695     -3.630815      3.773966
  H      -5.132595      4.889453      5.810370
  H      -4.042098      5.727590      6.966686
  H      -4.909716      7.249983      5.313807
  H      -3.144137      7.085241      5.062097
  H      -7.164815      5.456518      1.881016
  H      -3.445832      4.756054     -0.649835
  H      -0.968182      5.052300     -0.313493
  H      -0.110996      5.894613      1.875230
  H      -1.670423      6.406247      3.717922
  H      -7.080806      1.765162      6.290362
  H      -6.718605      2.825641      4.913650
  H      -5.347053      0.675776      4.103642
  H      -6.556293     -0.180109      5.096782
  H      -7.800899      3.004867      0.924238
  H     -10.704632     -0.565780      0.634718
  H     -11.030213     -2.668465      1.971976
  H      -9.684193     -3.068762      4.015336
  H      -7.947955     -1.470799      4.708632
  N      -3.965463      2.647983      3.379208
  N      -4.392610      2.840257      2.199621
  H      -3.781023      2.834369      1.375143
  H      -5.403183      2.987606      2.061770
90
Coordinates from ORCA-job orca E -6141.043462383723
  N      -2.584103      0.591640      4.990159
  Mo     -3.385469      2.447865      5.067111
  N      -5.056432      2.202103      6.033101
  C      -4.962490      2.280810      7.487544
  C      -3.664694      1.630303      7.966515
  N      -2.523723      2.172018      7.167971
  C      -1.408705      1.195561      7.051510
  C      -1.824111      0.062646      6.124420
  C      -2.042386      3.479420      7.714088
  C      -1.943904      4.480875      6.553364
  N      -3.147742      4.323013      5.729101
  H      -0.919175     -0.460132      5.773866
  H      -2.420995     -0.685696      6.683249
  H      -0.558909      1.727820      6.597827
  H      -1.106527      0.825668      8.046615
  H      -1.856397      5.507396      6.942296
  H      -1.038471      4.276977      5.959510
  H      -2.772437      3.850986      8.445729
  H      -1.078853      3.342727      8.227773
  H      -5.819052      1.772242      7.957205
  H      -4.988812      3.336461      7.817704
  H      -3.727840      0.548368      7.793621
  H      -3.494774      1.804570      9.040901
  C      -2.323933     -0.140055      3.732948
  C      -3.269446     -1.357286      3.566318
  C      -4.323019     -1.191254      2.486554
  N      -4.323353     -0.070273      1.784345
  C      -5.273102      0.090860      0.824674
  N      -6.195526     -0.773342      0.460830
  C      -6.239445     -1.934186      1.184759
  C      -7.261122     -2.870032      0.899886
  C      -7.381204     -4.015082      1.657820
  C      -6.462620     -4.286433      2.699075
  C      -5.441923     -3.399734      2.984516
  C      -5.310250     -2.199778      2.242181
  C      -4.163337      5.349261      5.920880
  C      -4.112678      6.575724      4.966424
  C      -4.441301      6.192207      3.552127
  N      -5.737843      6.059886      3.277246
  C      -6.079638      5.678310      2.018312
  N      -5.267666      5.396694      1.016056
  C      -3.931699      5.506041      1.284549
  C      -3.002463      5.130199      0.283066
  C      -1.647054      5.236379      0.515203
  C      -1.168411      5.705103      1.762985
  C      -2.050600      6.031749      2.772392
  C      -3.449879      5.928623      2.563334
  C      -6.366734      1.917790      5.443668
  C      -6.378109      0.723961      4.462138
  C      -7.349653      0.891535      3.325728
  N      -7.205894      1.974729      2.562533
  C      -8.080159      2.155817      1.537390
  N      -9.057993      1.354775      1.169432
  C      -9.205142      0.214495      1.905160
  C     -10.196160     -0.725327      1.526619
  C     -10.350829     -1.892796      2.242827
  C      -9.552904     -2.153464      3.381589
  C      -8.580994     -1.259903      3.773607
  C      -8.369894     -0.063438      3.038677
  H      -2.499516      0.530413      2.886784
  H      -1.273911     -0.473372      3.693441
  H      -3.789836     -1.524842      4.523890
  H      -2.705488     -2.281574      3.362314
  H      -5.238906      1.034673      0.271616
  H      -7.961243     -2.632745      0.098719
  H      -8.208916     -4.699432      1.461266
  H      -6.569377     -5.198494      3.288356
  H      -4.745730     -3.613984      3.796595
  H      -5.158160      4.896435      5.791261
  H      -4.079715      5.732319      6.952818
  H      -4.899434      7.266983      5.299605
  H      -3.139893      7.076110      5.055338
  H      -7.150319      5.552720      1.822578
  H      -3.410962      4.735931     -0.646540
  H      -0.936265      4.954181     -0.263130
  H      -0.093686      5.787593      1.931148
  H      -1.670283      6.358094      3.740327
  H      -7.077977      1.720051      6.260543
  H      -6.729950      2.808837      4.904501
  H      -5.374663      0.670505      4.018823
  H      -6.559076     -0.204290      5.012557
  H      -7.935837      3.081130      0.966554
  H     -10.803375     -0.502105      0.648604
  H     -11.078981     -2.642431      1.929427
  H      -9.694046     -3.081065      3.937692
  H      -7.957145     -1.488808      4.636249
  N      -3.962745      2.612478      3.427729
  N      -4.416280      2.803229      2.245607
  H      -3.819223      2.808526      1.417403
  H      -5.434890      2.916981      2.140545
90
Coordinates from ORCA-job orca E -6141.048318765469
  N      -2.558397      0.619194      4.946973
  Mo     -3.401583      2.453185      5.077898
  N      -5.066566      2.184946      6.046142
  C      -4.962296      2.241552      7.500713
  C      -3.660326      1.589821      7.963899
  N      -2.521975      2.152036      7.176387
  C      -1.400797      1.187423      7.036821
  C      -1.803347      0.074577      6.078891
  C      -2.049209      3.457459      7.735126
  C      -1.949945      4.466632      6.580620
  N      -3.152543      4.327485      5.751073
  H      -0.892164     -0.434274      5.723495
  H      -2.398339     -0.692121      6.614482
  H      -0.556211      1.740645      6.598836
  H      -1.094249      0.798442      8.023248
  H      -1.857859      5.490984      6.975205
  H      -1.042000      4.268243      5.988094
  H      -2.781588      3.816432      8.470735
  H      -1.086293      3.317937      8.249572
  H      -5.815887      1.722929      7.965061
  H      -4.991535      3.292622      7.845602
  H      -3.713183      0.510478      7.772027
  H      -3.489919      1.746760      9.041042
  C      -2.306362     -0.117402      3.691356
  C      -3.248186     -1.340478      3.534390
  C      -4.303903     -1.209557      2.449164
  N      -4.306048     -0.118671      1.701354
  C      -5.261140      0.004269      0.740979
  N      -6.187222     -0.870224      0.417877
  C      -6.226661     -2.002418      1.184944
  C      -7.250891     -2.946874      0.943148
  C      -7.371416     -4.057765      1.749742
  C      -6.448250     -4.288833      2.796089
  C      -5.422937     -3.394529      3.038344
  C      -5.293140     -2.226301      2.247374
  C      -4.160814      5.360164      5.932306
  C      -4.101917      6.582791      4.975666
  C      -4.442199      6.211858      3.559740
  N      -5.740531      6.082321      3.291118
  C      -6.089002      5.710629      2.031379
  N      -5.284505      5.440712      1.021067
  C      -3.946903      5.538436      1.283120
  C      -3.025680      5.153270      0.278093
  C      -1.668829      5.236072      0.509397
  C      -1.180261      5.694281      1.756880
  C      -2.055255      6.031573      2.768828
  C      -3.456330      5.948915      2.562690
  C      -6.376012      1.925863      5.449605
  C      -6.383726      0.731461      4.472368
  C      -7.338371      0.905043      3.324005
  N      -7.150147      1.971525      2.547533
  C      -7.997943      2.159202      1.502244
  N      -8.978816      1.369595      1.120608
  C      -9.166910      0.241216      1.867737
  C     -10.156643     -0.691255      1.468932
  C     -10.351043     -1.845634      2.196721
  C      -9.600290     -2.095733      3.369009
  C      -8.629271     -1.210175      3.779557
  C      -8.372230     -0.032330      3.030231
  H      -2.480993      0.546754      2.839801
  H      -1.255468     -0.448400      3.657498
  H      -3.769421     -1.498440      4.493275
  H      -2.679694     -2.265639      3.348306
  H      -5.231015      0.927882      0.155009
  H      -7.955861     -2.739706      0.137882
  H      -8.206400     -4.743412      1.591810
  H      -6.555015     -5.175089      3.423407
  H      -4.722168     -3.577974      3.853927
  H      -5.157508      4.909696      5.807404
  H      -4.079570      5.745459      6.963858
  H      -4.879781      7.281048      5.316368
  H      -3.126177      7.077792      5.059108
  H      -7.162119      5.590446      1.842242
  H      -3.439489      4.763805     -0.652008
  H      -0.963453      4.944086     -0.270270
  H      -0.104003      5.761036      1.921996
  H      -1.668312      6.348552      3.737026
  H      -7.094902      1.736355      6.261865
  H      -6.722933      2.823927      4.911577
  H      -5.377359      0.658387      4.039377
  H      -6.577264     -0.195393      5.020899
  H      -7.824014      3.075819      0.924891
  H     -10.728886     -0.474960      0.566107
  H     -11.072159     -2.594078      1.865241
  H      -9.773751     -3.012115      3.934325
  H      -8.037877     -1.435312      4.665774
  N      -4.029969      2.632617      3.456102
  N      -4.531749      2.846705      2.293415
  H      -3.962687      2.855002      1.448402
  H      -5.557815      2.950189      2.239498
90
Coordinates from ORCA-job orca E -6141.052897525959
  N      -2.510664      0.660078      4.901212
  Mo     -3.408992      2.458015      5.076690
  N      -5.083491      2.150516      6.021425
  C      -4.984461      2.172713      7.477825
  C      -3.677281      1.532159      7.937043
  N      -2.538185      2.131661      7.182517
  C      -1.400007      1.191404      7.029768
  C      -1.767716      0.099489      6.033700
  C      -2.096050      3.436126      7.766254
  C      -1.983146      4.456401      6.624035
  N      -3.166638      4.329675      5.767789
  H      -0.842066     -0.386306      5.682223
  H      -2.359727     -0.691900      6.535681
  H      -0.561180      1.774350      6.620563
  H      -1.097042      0.781096      8.008542
  H      -1.899930      5.478125      7.028694
  H      -1.060796      4.270232      6.049519
  H      -2.846058      3.773494      8.494133
  H      -1.141136      3.301298      8.296855
  H      -5.834128      1.631321      7.923649
  H      -5.032501      3.215784      7.845672
  H      -3.704978      0.457169      7.717392
  H      -3.523720      1.665351      9.020176
  C      -2.269483     -0.068370      3.643662
  C      -3.199266     -1.300764      3.496801
  C      -4.283141     -1.182530      2.438877
  N      -4.317520     -0.096646      1.683706
  C      -5.309646      0.013556      0.759889
  N      -6.244822     -0.865225      0.481020
  C      -6.246396     -1.995890      1.251417
  C      -7.267767     -2.952051      1.049526
  C      -7.344738     -4.063098      1.861468
  C      -6.383665     -4.279543      2.875301
  C      -5.361105     -3.372471      3.078365
  C      -5.271923     -2.207106      2.278297
  C      -4.173400      5.364121      5.919526
  C      -4.083052      6.578717      4.959560
  C      -4.401275      6.214082      3.536992
  N      -5.695120      6.093788      3.244619
  C      -6.022922      5.735733      1.977197
  N      -5.204469      5.474341      0.976711
  C      -3.870560      5.553694      1.262303
  C      -2.935981      5.165379      0.271176
  C      -1.583158      5.220785      0.532793
  C      -1.112470      5.659777      1.793192
  C      -2.001814      6.005630      2.789624
  C      -3.399332      5.947528      2.555054
  C      -6.397729      1.915723      5.425468
  C      -6.414241      0.746743      4.418593
  C      -7.405608      0.924597      3.300417
  N      -7.267615      2.011650      2.542064
  C      -8.150514      2.200943      1.526770
  N      -9.116652      1.391633      1.154110
  C      -9.254712      0.242753      1.880984
  C     -10.228470     -0.707097      1.486398
  C     -10.377120     -1.878811      2.197127
  C      -9.593050     -2.129791      3.346582
  C      -8.635469     -1.227332      3.751240
  C      -8.425493     -0.030730      3.018361
  H      -2.461346      0.597559      2.796127
  H      -1.215330     -0.387537      3.599507
  H      -3.698683     -1.472583      4.464836
  H      -2.623798     -2.218853      3.297383
  H      -5.309589      0.937157      0.172758
  H      -8.003507     -2.755370      0.269642
  H      -8.174653     -4.761318      1.735539
  H      -6.456439     -5.166365      3.506441
  H      -4.627474     -3.547326      3.866196
  H      -5.168606      4.914683      5.778299
  H      -4.118699      5.754436      6.951222
  H      -4.858227      7.286573      5.287249
  H      -3.105422      7.067291      5.058148
  H      -7.094453      5.630664      1.771000
  H      -3.333179      4.791825     -0.673671
  H      -0.866485      4.923494     -0.234364
  H      -0.038802      5.708194      1.979409
  H      -1.629329      6.309856      3.767438
  H      -7.107099      1.704321      6.240999
  H      -6.750825      2.829757      4.919880
  H      -5.419152      0.690489      3.957783
  H      -6.579909     -0.197049      4.947907
  H      -8.021250      3.135154      0.967051
  H     -10.827861     -0.488402      0.602145
  H     -11.087657     -2.638120      1.867950
  H      -9.730571     -3.059845      3.899135
  H      -8.018300     -1.454135      4.619360
  N      -4.043258      2.653664      3.436257
  N      -4.552151      2.878836      2.277649
  H      -3.975282      2.890811      1.439453
  H      -5.586877      2.949613      2.234370
90
Coordinates from ORCA-job orca E -6141.057025189978
  N      -2.465298      0.698616      4.894174
  Mo     -3.424622      2.453992      5.102419
  N      -5.092280      2.115172      6.047876
  C      -4.988034      2.124278      7.505043
  C      -3.669848      1.503776      7.953237
  N      -2.541218      2.132147      7.207317
  C      -1.386264      1.215439      7.041892
  C      -1.726142      0.133423      6.027042
  C      -2.123676      3.443581      7.793446
  C      -2.007179      4.459631      6.649616
  N      -3.181669      4.331959      5.782305
  H      -0.787623     -0.330220      5.678099
  H      -2.308711     -0.677781      6.508382
  H      -0.557962      1.822186      6.645774
  H      -1.076441      0.795673      8.014549
  H      -1.927961      5.483733      7.050834
  H      -1.077444      4.276099      6.085624
  H      -2.884608      3.770500      8.514649
  H      -1.171915      3.321087      8.333311
  H      -5.827067      1.564085      7.948543
  H      -5.053213      3.163463      7.882725
  H      -3.674094      0.430987      7.720439
  H      -3.520375      1.626563      9.038654
  C      -2.231194     -0.025546      3.636586
  C      -3.155068     -1.259423      3.488154
  C      -4.240034     -1.133883      2.434772
  N      -4.264782     -0.049326      1.677235
  C      -5.259377      0.066897      0.754875
  N      -6.205608     -0.802962      0.483482
  C      -6.211972     -1.935598      1.252165
  C      -7.234016     -2.890366      1.046290
  C      -7.309270     -4.006904      1.851305
  C      -6.349604     -4.227126      2.865939
  C      -5.327158     -3.320331      3.073819
  C      -5.236439     -2.152689      2.276945
  C      -4.182085      5.376125      5.906002
  C      -4.066923      6.573403      4.930101
  C      -4.401675      6.201362      3.513927
  N      -5.700002      6.122876      3.228043
  C      -6.046456      5.775830      1.962194
  N      -5.242379      5.483503      0.958729
  C      -3.905212      5.508858      1.240771
  C      -2.990568      5.075401      0.250150
  C      -1.635878      5.070845      0.510469
  C      -1.143318      5.498094      1.766770
  C      -2.014680      5.891738      2.761838
  C      -3.413942      5.892189      2.529907
  C      -6.408327      1.894243      5.451836
  C      -6.424539      0.740516      4.430635
  C      -7.419102      0.934439      3.317495
  N      -7.277694      2.031237      2.573098
  C      -8.153385      2.231585      1.552584
  N      -9.112841      1.422446      1.162375
  C      -9.256882      0.266187      1.877345
  C     -10.225952     -0.680477      1.464186
  C     -10.384836     -1.856364      2.166741
  C      -9.613699     -2.115393      3.323425
  C      -8.658975     -1.217006      3.744461
  C      -8.439818     -0.015855      3.021843
  H      -2.432263      0.643726      2.792775
  H      -1.174925     -0.337418      3.585947
  H      -3.651713     -1.442685      4.455701
  H      -2.576805     -2.174533      3.280913
  H      -5.254065      0.991926      0.169111
  H      -7.969192     -2.690570      0.266254
  H      -8.136303     -4.708125      1.719839
  H      -6.421038     -5.118749      3.490938
  H      -4.591423     -3.501445      3.858554
  H      -5.182000      4.935487      5.768557
  H      -4.132982      5.782516      6.932126
  H      -4.821718      7.306516      5.251314
  H      -3.077948      7.041501      5.019059
  H      -7.123044      5.714838      1.762280
  H      -3.403532      4.714249     -0.692506
  H      -0.934164      4.735938     -0.255453
  H      -0.067800      5.501011      1.950210
  H      -1.627259      6.187445      3.736891
  H      -7.118503      1.675635      6.265037
  H      -6.757064      2.816135      4.958076
  H      -5.430941      0.687969      3.965106
  H      -6.584310     -0.213145      4.945073
  H      -8.021614      3.171899      1.003791
  H     -10.816354     -0.454635      0.575373
  H     -11.094618     -2.611344      1.825290
  H      -9.759414     -3.048492      3.869368
  H      -8.052244     -1.450808      4.618505
  N      -4.085278      2.625343      3.474426
  N      -4.622159      2.824383      2.323183
  H      -4.051828      2.823279      1.478224
  H      -5.663970      2.844685      2.303246
90
Coordinates from ORCA-job orca E -6141.060880106408
  N      -2.432689      0.748277      4.864488
  Mo     -3.443332      2.460269      5.119035
  N      -5.106328      2.086627      6.058452
  C      -5.002657      2.075918      7.517169
  C      -3.676621      1.467148      7.952712
  N      -2.554533      2.123162      7.220563
  C      -1.387346      1.225752      7.036681
  C      -1.702973      0.165452      5.994728
  C      -2.155070      3.433198      7.822169
  C      -2.025308      4.454950      6.688406
  N      -3.188044      4.335112      5.805982
  H      -0.753355     -0.277393      5.647003
  H      -2.280521     -0.665885      6.447254
  H      -0.565585      1.853993      6.660340
  H      -1.074332      0.785855      7.999562
  H      -1.947416      5.477135      7.096304
  H      -1.087323      4.274049      6.136548
  H      -2.927891      3.747728      8.536141
  H      -1.209105      3.313106      8.373728
  H      -5.832622      1.496298      7.953540
  H      -5.083703      3.108452      7.911009
  H      -3.663332      0.398756      7.699321
  H      -3.532301      1.570366      9.041430
  C      -2.203020      0.031569      3.603192
  C      -3.123189     -1.204612      3.455568
  C      -4.211049     -1.090580      2.405130
  N      -4.231929     -0.022623      1.625210
  C      -5.232569      0.078907      0.704042
  N      -6.186506     -0.790713      0.456858
  C      -6.192030     -1.909892      1.245698
  C      -7.214548     -2.868453      1.058219
  C      -7.285307     -3.973353      1.879912
  C      -6.322674     -4.176061      2.896375
  C      -5.300413     -3.264319      3.087341
  C      -5.212386     -2.109866      2.270441
  C      -4.177834      5.394301      5.904467
  C      -4.038988      6.575139      4.913165
  C      -4.376733      6.189161      3.501734
  N      -5.676186      6.119701      3.219286
  C      -6.030062      5.767967      1.955215
  N      -5.230377      5.465473      0.950871
  C      -3.892440      5.476996      1.232109
  C      -2.984161      5.033233      0.240420
  C      -1.629220      5.006238      0.501822
  C      -1.129802      5.426161      1.758749
  C      -1.995284      5.837953      2.752417
  C      -3.394470      5.859418      2.519666
  C      -6.424036      1.879265      5.456700
  C      -6.446970      0.729275      4.431190
  C      -7.447324      0.924210      3.321897
  N      -7.302479      2.017689      2.572265
  C      -8.173874      2.216962      1.545611
  N      -9.131306      1.404921      1.153940
  C      -9.281524      0.253305      1.876180
  C     -10.248461     -0.695544      1.462174
  C     -10.416840     -1.864643      2.175220
  C      -9.657043     -2.114333      3.342170
  C      -8.702476     -1.214893      3.762925
  C      -8.473165     -0.021684      3.029984
  H      -2.408329      0.705144      2.763430
  H      -1.145520     -0.276710      3.547408
  H      -3.616477     -1.392843      4.424098
  H      -2.539868     -2.116815      3.246761
  H      -5.224481      0.991333      0.098180
  H      -7.952235     -2.681842      0.276720
  H      -8.110616     -4.679541      1.760729
  H      -6.390531     -5.059092      3.534560
  H      -4.561029     -3.434304      3.871666
  H      -5.183157      4.966207      5.765994
  H      -4.135404      5.813320      6.926189
  H      -4.781248      7.327509      5.219983
  H      -3.042510      7.029060      4.999596
  H      -7.108578      5.715641      1.760225
  H      -3.400714      4.683980     -0.704706
  H      -0.932317      4.660594     -0.264338
  H      -0.053899      5.412989      1.942030
  H      -1.603517      6.132385      3.726690
  H      -7.138586      1.660778      6.266229
  H      -6.763894      2.806754      4.967478
  H      -5.455987      0.672874      3.959749
  H      -6.602413     -0.226567      4.943984
  H      -8.036953      3.155084      0.993254
  H     -10.831463     -0.476249      0.566382
  H     -11.126409     -2.620588      1.834416
  H      -9.811053     -3.041610      3.896588
  H      -8.104375     -1.442475      4.645008
  N      -4.109432      2.648193      3.515008
  N      -4.664451      2.853995      2.375347
  H      -4.094983      2.847450      1.527343
  H      -5.714316      2.840191      2.372917
90
Coordinates from ORCA-job orca E -6141.064673946320
  N      -2.402438      0.801718      4.839430
  Mo     -3.470283      2.461693      5.133599
  N      -5.119951      2.044904      6.081192
  C      -5.012717      2.017496      7.539822
  C      -3.672240      1.431840      7.957710
  N      -2.568662      2.120814      7.229729
  C      -1.384173      1.251269      7.027288
  C      -1.674122      0.206527      5.963547
  C      -2.194405      3.432194      7.841509
  C      -2.058548      4.458109      6.714094
  N      -3.208165      4.333614      5.817332
  H      -0.712990     -0.210707      5.614913
  H      -2.239356     -0.645628      6.391694
  H      -0.574863      1.903294      6.664935
  H      -1.061361      0.796788      7.980082
  H      -1.988443      5.478985      7.126272
  H      -1.112602      4.282833      6.173711
  H      -2.980910      3.732553      8.546245
  H      -1.253632      3.322887      8.404674
  H      -5.826537      1.413722      7.974125
  H      -5.115462      3.042388      7.948027
  H      -3.637180      0.368025      7.687321
  H      -3.526254      1.519525      9.047727
  C      -2.179334      0.097240      3.571621
  C      -3.085177     -1.148474      3.422802
  C      -4.179212     -1.039630      2.379675
  N      -4.200694      0.022716      1.591765
  C      -5.208379      0.120719      0.677182
  N      -6.168485     -0.745438      0.445478
  C      -6.170609     -1.860934      1.239678
  C      -7.195218     -2.818674      1.062380
  C      -7.259570     -3.922224      1.886234
  C      -6.290234     -4.121976      2.896704
  C      -5.267031     -3.209465      3.079084
  C      -5.183818     -2.057766      2.258017
  C      -4.193176      5.400663      5.883704
  C      -4.025567      6.567829      4.880139
  C      -4.354146      6.173645      3.468830
  N      -5.651061      6.124143      3.171238
  C      -5.995482      5.773700      1.903937
  N      -5.188895      5.455920      0.909730
  C      -3.854657      5.443205      1.208642
  C      -2.941898      4.977670      0.231160
  C      -1.591775      4.919811      0.513432
  C      -1.102137      5.331379      1.776497
  C      -1.972625      5.767873      2.755196
  C      -3.366878      5.820199      2.501679
  C      -6.442523      1.847844      5.485951
  C      -6.472571      0.706615      4.449916
  C      -7.479850      0.907226      3.348490
  N      -7.336987      2.004548      2.604121
  C      -8.207077      2.209725      1.577562
  N      -9.162684      1.398177      1.181139
  C      -9.314116      0.244789      1.899439
  C     -10.280004     -0.702563      1.481059
  C     -10.452104     -1.872133      2.192843
  C      -9.696451     -2.124049      3.361669
  C      -8.741306     -1.226756      3.785916
  C      -8.508270     -0.033731      3.054524
  H      -2.398801      0.775566      2.739533
  H      -1.118947     -0.198945      3.503428
  H      -3.567659     -1.351815      4.393344
  H      -2.491929     -2.051567      3.201987
  H      -5.200033      1.027246      0.062618
  H      -7.937927     -2.634178      0.285508
  H      -8.083548     -4.630371      1.772989
  H      -6.353137     -5.003749      3.536617
  H      -4.522503     -3.378693      3.858278
  H      -5.199828      4.979833      5.734045
  H      -4.167133      5.833010      6.900247
  H      -4.756388      7.337335      5.170302
  H      -3.022191      7.005563      4.971831
  H      -7.071647      5.739458      1.696960
  H      -3.350164      4.637448     -0.720451
  H      -0.891883      4.555846     -0.240987
  H      -0.030070      5.293381      1.976300
  H      -1.589290      6.057061      3.734135
  H      -7.155890      1.622258      6.294497
  H      -6.781194      2.781109      5.007268
  H      -5.484434      0.655958      3.971257
  H      -6.620401     -0.253917      4.956080
  H      -8.068857      3.149722      1.030274
  H     -10.860826     -0.481225      0.584745
  H     -11.162979     -2.625273      1.849776
  H      -9.854354     -3.050734      3.915480
  H      -8.146866     -1.455341      4.669883
  N      -4.157888      2.660828      3.535021
  N      -4.734044      2.859942      2.406253
  H      -4.168053      2.847687      1.556612
  H      -5.789642      2.799332      2.413407
90
Coordinates from ORCA-job orca E -6141.068337900533
  N      -2.371192      0.862786      4.814445
  Mo     -3.500938      2.463954      5.145451
  N      -5.133971      1.996034      6.102839
  C      -5.024872      1.951724      7.560865
  C      -3.667909      1.394285      7.963050
  N      -2.587589      2.119208      7.236979
  C      -1.382437      1.282382      7.018167
  C      -1.643317      0.254297      5.931257
  C      -2.241820      3.431689      7.859990
  C      -2.100174      4.464539      6.739710
  N      -3.233894      4.330529      5.825708
  H      -0.670413     -0.134209      5.581784
  H      -2.194067     -0.619122      6.333608
  H      -0.587419      1.959675      6.671661
  H      -1.049787      0.814271      7.960854
  H      -2.043432      5.483465      7.157449
  H      -1.145254      4.298148      6.212028
  H      -3.044489      3.716605      8.552658
  H      -1.308110      3.334373      8.437440
  H      -5.820307      1.321577      7.991705
  H      -5.152898      2.967803      7.983297
  H      -3.609370      0.335483      7.676969
  H      -3.517733      1.467766      9.053559
  C      -2.148830      0.177314      3.536404
  C      -3.039850     -1.077620      3.378761
  C      -4.141425     -0.969160      2.343653
  N      -4.164336      0.089738      1.550417
  C      -5.179828      0.187921      0.645082
  N      -6.148678     -0.671746      0.430003
  C      -6.147342     -1.785030      1.227216
  C      -7.177562     -2.738737      1.062471
  C      -7.235290     -3.842357      1.886765
  C      -6.255448     -4.043976      2.886169
  C      -5.228504     -3.134130      3.057402
  C      -5.150367     -1.983742      2.234559
  C      -4.214764      5.404142      5.855512
  C      -4.014821      6.556422      4.839110
  C      -4.325731      6.148991      3.427379
  N      -5.617502      6.114511      3.106771
  C      -5.942704      5.756350      1.836683
  N      -5.122503      5.420582      0.859639
  C      -3.794636      5.390107      1.184175
  C      -2.870351      4.902050      0.228889
  C      -1.527855      4.820261      0.540138
  C      -1.057543      5.230534      1.810326
  C      -1.939637      5.692176      2.766534
  C      -3.326631      5.769454      2.483335
  C      -6.460837      1.804337      5.514088
  C      -6.499920      0.671097      4.466524
  C      -7.520060      0.875801      3.378094
  N      -7.384640      1.975776      2.636260
  C      -8.259299      2.186363      1.615720
  N      -9.216396      1.376380      1.221996
  C      -9.364450      0.221984      1.938146
  C     -10.333886     -0.722768      1.523651
  C     -10.506047     -1.891887      2.235644
  C      -9.745769     -2.147142      3.400373
  C      -8.785349     -1.253184      3.820273
  C      -8.552918     -0.060536      3.088537
  H      -2.381553      0.864311      2.715468
  H      -1.085469     -0.105058      3.455675
  H      -3.510946     -1.299350      4.350392
  H      -2.436935     -1.970158      3.141641
  H      -5.172698      1.090515      0.024954
  H      -7.928108     -2.552735      0.293787
  H      -8.060236     -4.549931      1.781552
  H      -6.313084     -4.925394      3.526627
  H      -4.476470     -3.305746      3.828504
  H      -5.221226      4.989664      5.690136
  H      -4.207754      5.850063      6.866030
  H      -4.736522      7.342003      5.106927
  H      -3.005672      6.977837      4.940874
  H      -7.014900      5.732808      1.610457
  H      -3.263969      4.565346     -0.730140
  H      -0.819854      4.437829     -0.196961
  H       0.008737      5.172581      2.033625
  H      -1.572160      5.981678      3.751056
  H      -7.171346      1.569933      6.322436
  H      -6.801692      2.741901      5.045798
  H      -5.516246      0.629811      3.977149
  H      -6.637210     -0.293611      4.967137
  H      -8.121980      3.128117      1.071686
  H     -10.919439     -0.498794      0.631407
  H     -11.222938     -2.640648      1.896439
  H      -9.905197     -3.072550      3.955384
  H      -8.187941     -1.482453      4.701780
  N      -4.210204      2.678132      3.553283
  N      -4.809475      2.872437      2.435863
  H      -4.250942      2.859060      1.581641
  H      -5.867276      2.764310      2.450869
90
Coordinates from ORCA-job orca E -6141.071760753893
  N      -2.346851      0.930230      4.785419
  Mo     -3.536966      2.471155      5.154397
  N      -5.150233      1.949543      6.123142
  C      -5.035861      1.885450      7.579586
  C      -3.661982      1.357360      7.964647
  N      -2.608356      2.119731      7.239526
  C      -1.381533      1.318730      7.003056
  C      -1.614298      0.308817      5.892074
  C      -2.292167      3.432813      7.875090
  C      -2.147639      4.474477      6.762409
  N      -3.266217      4.331885      5.831480
  H      -0.631155     -0.049458      5.538999
  H      -2.148321     -0.585356      6.269686
  H      -0.603235      2.022443      6.672588
  H      -1.037278      0.838225      7.935116
  H      -2.106704      5.491187      7.186250
  H      -1.184442      4.319270      6.246234
  H      -3.110515      3.701467      8.555802
  H      -1.366010      3.346927      8.466600
  H      -5.811875      1.228168      8.005240
  H      -5.188939      2.891127      8.018099
  H      -3.579621      0.304654      7.661800
  H      -3.503989      1.416636      9.054832
  C      -2.125380      0.267776      3.494781
  C      -2.997390     -0.998850      3.324075
  C      -4.109650     -0.891047      2.299810
  N      -4.140301      0.166818      1.504841
  C      -5.166076      0.264938      0.612317
  N      -6.140624     -0.591587      0.412698
  C      -6.129389     -1.705413      1.208799
  C      -7.162478     -2.658261      1.056847
  C      -7.207904     -3.764267      1.878703
  C      -6.213719     -3.967952      2.863093
  C      -5.185415     -3.058113      3.022571
  C      -5.118828     -1.905811      2.201647
  C      -4.241562      5.411603      5.822982
  C      -4.004899      6.546876      4.794394
  C      -4.290863      6.121022      3.382730
  N      -5.574600      6.099029      3.031036
  C      -5.872287      5.725378      1.758950
  N      -5.032871      5.366807      0.806751
  C      -3.714117      5.321930      1.164903
  C      -2.773317      4.805602      0.241391
  C      -1.441550      4.704064      0.589756
  C      -0.998260      5.122098      1.866667
  C      -1.896929      5.612971      2.792010
  C      -3.274060      5.711453      2.470235
  C      -6.481364      1.762827      5.542286
  C      -6.527401      0.640323      4.481291
  C      -7.564455      0.847777      3.409936
  N      -7.443528      1.951234      2.670900
  C      -8.327984      2.164219      1.660669
  N      -9.285054      1.352293      1.273119
  C      -9.422350      0.195603      1.987192
  C     -10.393062     -0.750627      1.579848
  C     -10.557569     -1.920462      2.291896
  C      -9.787661     -2.176088      3.449967
  C      -8.824098     -1.281689      3.861869
  C      -8.599440     -0.088315      3.129094
  H      -2.374428      0.965101      2.687415
  H      -1.058506      0.003872      3.400031
  H      -3.454514     -1.244160      4.296261
  H      -2.382395     -1.877316      3.066338
  H      -5.164445      1.165331     -0.011067
  H      -7.923802     -2.470933      0.299245
  H      -8.032623     -4.473069      1.782492
  H      -6.261469     -4.851108      3.501790
  H      -4.422959     -3.231742      3.782706
  H      -5.246826      5.002644      5.639450
  H      -4.255371      5.870993      6.827034
  H      -4.718625      7.348148      5.035179
  H      -2.991024      6.952305      4.910346
  H      -6.939057      5.707374      1.507121
  H      -3.147127      4.464359     -0.723898
  H      -0.721610      4.299084     -0.123133
  H       0.060115      5.047142      2.120008
  H      -1.551533      5.909153      3.782299
  H      -7.186566      1.516547      6.351714
  H      -6.827936      2.704477      5.086845
  H      -5.549689      0.613035      3.978605
  H      -6.650400     -0.330231      4.974003
  H      -8.197781      3.109221      1.119984
  H     -10.987546     -0.526127      0.693797
  H     -11.278105     -2.668150      1.958652
  H      -9.942870     -3.101130      4.006533
  H      -8.219036     -1.509364      4.738462
  N      -4.272121      2.697709      3.574926
  N      -4.901237      2.889557      2.472589
  H      -4.358079      2.878376      1.608338
  H      -5.955617      2.728703      2.503460
90
Coordinates from ORCA-job orca E -6141.074959778551
  N      -2.325979      0.996210      4.760778
  Mo     -3.573469      2.478020      5.164722
  N      -5.166446      1.901640      6.143434
  C      -5.046277      1.817910      7.597925
  C      -3.656161      1.320610      7.966756
  N      -2.630054      2.119112      7.242572
  C      -1.382455      1.353886      6.990491
  C      -1.588168      0.362499      5.856743
  C      -2.343426      3.432762      7.889995
  C      -2.195594      4.483045      6.785087
  N      -3.298521      4.332972      5.836841
  H      -0.596221      0.033201      5.500236
  H      -2.106189     -0.550125      6.211130
  H      -0.621024      2.082764      6.676526
  H      -1.027663      0.862594      7.912719
  H      -2.172113      5.497568      7.214735
  H      -1.224262      4.339601      6.280712
  H      -3.177675      3.686422      8.557007
  H      -1.426248      3.357637      8.496934
  H      -5.802081      1.132943      8.016383
  H      -5.225439      2.811664      8.053371
  H      -3.549858      0.274875      7.647041
  H      -3.489251      1.366882      9.056145
  C      -2.103048      0.358486      3.457528
  C      -2.957302     -0.918049      3.270291
  C      -4.079049     -0.810409      2.256032
  N      -4.115970      0.245736      1.458716
  C      -5.149352      0.342571      0.576016
  N      -6.129557     -0.511038      0.390502
  C      -6.110903     -1.623983      1.187130
  C      -7.147924     -2.575024      1.048298
  C      -7.184027     -3.681715      1.869611
  C      -6.176928     -3.887549      2.840430
  C      -5.145964     -2.978987      2.987831
  C      -5.088501     -1.825523      2.167498
  C      -4.265441      5.420417      5.787722
  C      -3.991549      6.538628      4.748319
  C      -4.254190      6.095014      3.337628
  N      -5.529516      6.086766      2.956531
  C      -5.803227      5.697390      1.684064
  N      -4.947138      5.316566      0.755694
  C      -3.637509      5.256674      1.145043
  C      -2.684388      4.711489      0.251880
  C      -1.363718      4.590286      0.633674
  C      -0.943775      5.016304      1.915675
  C      -1.855251      5.535646      2.812391
  C      -3.222220      5.655203      2.455468
  C      -6.501368      1.716551      5.570735
  C      -6.552517      0.601014      4.501089
  C      -7.604921      0.810550      3.446093
  N      -7.493315      1.916240      2.710022
  C      -8.383720      2.135043      1.707860
  N      -9.342930      1.323980      1.324637
  C      -9.475109      0.165287      2.037322
  C     -10.449070     -0.779740      1.634867
  C     -10.611042     -1.949907      2.346714
  C      -9.835189     -2.207971      3.500346
  C      -8.866940     -1.315992      3.906438
  C      -8.644357     -0.122670      3.172895
  H      -2.365335      1.067162      2.664032
  H      -1.032932      0.112609      3.351573
  H      -3.402125     -1.186852      4.241613
  H      -2.330807     -1.782029      2.991986
  H      -5.151517      1.239994     -0.051909
  H      -7.918519     -2.386795      0.300291
  H      -8.009830     -4.390400      1.782734
  H      -6.216972     -4.771435      3.478684
  H      -4.374310     -3.154270      3.738164
  H      -5.269165      5.017333      5.585405
  H      -4.300019      5.893127      6.784919
  H      -4.696344      7.355080      4.962847
  H      -2.973431      6.928107      4.878836
  H      -6.865305      5.680846      1.409774
  H      -3.042309      4.364664     -0.717225
  H      -0.634870      4.162446     -0.056429
  H       0.106426      4.924559      2.196144
  H      -1.529026      5.838360      3.807155
  H      -7.201094      1.461084      6.382171
  H      -6.855065      2.659941      5.124752
  H      -5.580655      0.586317      3.986400
  H      -6.662674     -0.374314      4.987292
  H      -8.254683      3.083314      1.170680
  H     -11.049477     -0.553168      0.753322
  H     -11.336310     -2.694832      2.017683
  H      -9.990526     -3.132111      4.058342
  H      -8.257072     -1.543635      4.779774
  N      -4.326137      2.719830      3.596222
  N      -4.980346      2.914928      2.508477
  H      -4.451249      2.907125      1.634400
  H      -6.030626      2.710485      2.550269
90
Coordinates from ORCA-job orca E -6141.077953481674
  N      -2.302888      1.060266      4.744026
  Mo     -3.605936      2.482751      5.179940
  N      -5.179889      1.853104      6.163479
  C      -5.054202      1.748860      7.616197
  C      -3.649598      1.284027      7.970987
  N      -2.650422      2.118361      7.250531
  C      -1.382299      1.390303      6.986164
  C      -1.559666      0.417225      5.831131
  C      -2.395667      3.433263      7.908590
  C      -2.243544      4.490402      6.810606
  N      -3.330522      4.335401      5.844108
  H      -0.559084      0.116737      5.473282
  H      -2.061199     -0.512824      6.163232
  H      -0.638685      2.144244      6.689498
  H      -1.018149      0.890448      7.899988
  H      -2.238401      5.503200      7.244803
  H      -1.263469      4.358975      6.319687
  H      -3.246548      3.672146      8.559898
  H      -1.489124      3.369322      8.532846
  H      -5.789617      1.035760      8.024248
  H      -5.260453      2.728665      8.090202
  H      -3.517379      0.246491      7.634079
  H      -3.475607      1.318363      9.059724
  C      -2.075641      0.447199      3.430076
  C      -2.913292     -0.836906      3.224020
  C      -4.041932     -0.726993      2.217908
  N      -4.081965      0.328135      1.419225
  C      -5.121317      0.425996      0.544047
  N      -6.108019     -0.423407      0.369998
  C      -6.085789     -1.535602      1.167209
  C      -7.128247     -2.483012      1.039897
  C      -7.158558     -3.590442      1.860438
  C      -6.140766     -3.800680      2.819519
  C      -5.105590     -2.895332      2.956575
  C      -5.053724     -1.740586      2.137003
  C      -4.283775      5.433102      5.753581
  C      -3.970295      6.531641      4.704072
  C      -4.219064      6.070906      3.296754
  N      -5.487890      6.083076      2.896152
  C      -5.751809      5.673331      1.628304
  N      -4.890065      5.261221      0.718675
  C      -3.587294      5.180866      1.128559
  C      -2.634047      4.599882      0.258857
  C      -1.322756      4.453429      0.662988
  C      -0.912384      4.889133      1.945024
  C      -1.824645      5.444441      2.819424
  C      -3.182833      5.591464      2.438915
  C      -6.517862      1.670995      5.595737
  C      -6.572197      0.565931      4.514624
  C      -7.637614      0.780593      3.473287
  N      -7.533927      1.889525      2.741285
  C      -8.430758      2.114928      1.746795
  N      -9.392548      1.305207      1.367020
  C      -9.519924      0.143867      2.077250
  C     -10.497754     -0.798962      1.678660
  C     -10.657059     -1.970599      2.388808
  C      -9.874063     -2.232985      3.537050
  C      -8.900971     -1.344021      3.938265
  C      -8.681121     -0.149538      3.205932
  H      -2.348352      1.166729      2.649587
  H      -1.002312      0.218861      3.317114
  H      -3.349076     -1.128720      4.192685
  H      -2.276259     -1.686931      2.926758
  H      -5.124386      1.321141     -0.087620
  H      -7.906290     -2.292331      0.300066
  H      -7.986598     -4.297540      1.781525
  H      -6.176051     -4.685477      3.457021
  H      -4.326155     -3.073818      3.698168
  H      -5.287136      5.038959      5.533813
  H      -4.336475      5.920028      6.743217
  H      -4.661770      7.365290      4.894644
  H      -2.946591      6.902117      4.846153
  H      -6.810994      5.666329      1.340839
  H      -2.986846      4.247045     -0.710043
  H      -0.594028      3.997214     -0.009030
  H       0.130921      4.776306      2.243484
  H      -1.506363      5.755309      3.814414
  H      -7.213342      1.405879      6.407931
  H      -6.877483      2.617179      5.161092
  H      -5.605920      0.563157      3.989528
  H      -6.671190     -0.415899      4.990541
  H      -8.303001      3.066244      1.213454
  H     -11.104487     -0.568823      0.802217
  H     -11.387558     -2.712255      2.063537
  H     -10.029192     -3.157229      4.095147
  H      -8.285927     -1.573168      4.807896
  N      -4.376860      2.727944      3.622939
  N      -5.056140      2.919545      2.549959
  H      -4.540614      2.911795      1.666989
  H      -6.097490      2.663274      2.606447
90
Coordinates from ORCA-job orca E -6141.080669694569
  N      -2.285722      1.119498      4.734206
  Mo     -3.639498      2.485515      5.196106
  N      -5.194698      1.805562      6.184956
  C      -5.063720      1.683720      7.635866
  C      -3.646004      1.251030      7.977529
  N      -2.673460      2.116704      7.258801
  C      -1.387410      1.422561      6.985800
  C      -1.539417      0.466808      5.812871
  C      -2.448314      3.432862      7.924532
  C      -2.288506      4.495592      6.833905
  N      -3.359003      4.335464      5.849543
  H      -0.531711      0.190997      5.455278
  H      -2.027303     -0.477422      6.124671
  H      -0.659735      2.197728      6.705463
  H      -1.016232      0.915375      7.892572
  H      -2.302118      5.506136      7.272689
  H      -1.299822      4.375940      6.357129
  H      -3.316530      3.659849      8.557007
  H      -1.554624      3.379132      8.568276
  H      -5.778059      0.943763      8.033823
  H      -5.296601      2.648766      8.127523
  H      -3.490138      0.221741      7.625360
  H      -3.463937      1.276043      9.065143
  C      -2.054199      0.530852      3.410282
  C      -2.876994     -0.758629      3.183797
  C      -4.008478     -0.643460      2.182487
  N      -4.044843      0.410469      1.381700
  C      -5.085516      0.511786      0.508881
  N      -6.080809     -0.330155      0.343170
  C      -6.062404     -1.440850      1.142441
  C      -7.112088     -2.382094      1.022631
  C      -7.141952     -3.490919      1.841401
  C      -6.118179     -3.707982      2.792821
  C      -5.077676     -2.808254      2.924038
  C      -5.025216     -1.652295      2.105683
  C      -4.294543      5.444778      5.717261
  C      -3.942093      6.523872      4.659350
  C      -4.179936      6.048502      3.255181
  N      -5.442773      6.079252      2.838436
  C      -5.700672      5.649423      1.576301
  N      -4.835586      5.210069      0.682218
  C      -3.538365      5.113902      1.108194
  C      -2.585868      4.504382      0.257129
  C      -1.283124      4.336921      0.679732
  C      -0.880658      4.779536      1.961953
  C      -1.792194      5.364219      2.817957
  C      -3.142266      5.534226      2.418412
  C      -6.535749      1.622821      5.624080
  C      -6.591487      0.519868      4.540146
  C      -7.666095      0.734786      3.508406
  N      -7.564358      1.843887      2.777601
  C      -8.462902      2.076026      1.786895
  N      -9.429582      1.270512      1.410742
  C      -9.557957      0.109099      2.121243
  C     -10.542494     -0.828276      1.726533
  C     -10.704489     -1.999722      2.436237
  C      -9.916108     -2.268445      3.579769
  C      -8.936149     -1.385075      3.976975
  C      -8.714708     -0.190465      3.245512
  H      -2.334139      1.261279      2.642365
  H      -0.978297      0.317423      3.292834
  H      -3.306506     -1.072131      4.148247
  H      -2.230617     -1.595359      2.868998
  H      -5.083843      1.404334     -0.126988
  H      -7.893728     -2.187270      0.287575
  H      -7.972272     -4.195596      1.766073
  H      -6.152925     -4.594080      3.428606
  H      -4.293668     -2.992172      3.659417
  H      -5.297148      5.060397      5.479019
  H      -4.364811      5.946233      6.698520
  H      -4.620115      7.372875      4.828620
  H      -2.913348      6.875693      4.812585
  H      -6.757582      5.647548      1.279779
  H      -2.934718      4.147410     -0.711873
  H      -0.555318      3.857794      0.022807
  H       0.156207      4.649094      2.275395
  H      -1.479467      5.681726      3.812699
  H      -7.227541      1.353568      6.438235
  H      -6.901056      2.568760      5.193866
  H      -5.629457      0.525521      4.007349
  H      -6.681407     -0.464879      5.011923
  H      -8.330470      3.027633      1.254620
  H     -11.153409     -0.593438      0.854218
  H     -11.443381     -2.735008      2.115292
  H     -10.074792     -3.191799      4.138435
  H      -8.317935     -1.616664      4.843885
  N      -4.418944      2.741786      3.644946
  N      -5.114192      2.936579      2.582737
  H      -4.606929      2.928873      1.694453
  H      -6.150925      2.647380      2.640366
90
Coordinates from ORCA-job orca E -6141.083140181461
  N      -2.275486      1.173850      4.724930
  Mo     -3.667671      2.491786      5.212317
  N      -5.206933      1.771309      6.203066
  C      -5.070169      1.630217      7.651849
  C      -3.642985      1.222452      7.981191
  N      -2.692836      2.115007      7.266301
  C      -1.393226      1.449816      6.984764
  C      -1.526400      0.511576      5.795529
  C      -2.495053      3.430424      7.941311
  C      -2.327489      4.500676      6.860649
  N      -3.383186      4.340637      5.859084
  H      -0.513524      0.254961      5.438043
  H      -2.003744     -0.443942      6.088982
  H      -0.678706      2.242210      6.719912
  H      -1.016281      0.934088      7.884201
  H      -2.358170      5.507389      7.307147
  H      -1.330703      4.394480      6.397441
  H      -3.379767      3.644607      8.555263
  H      -1.615082      3.384095      8.604576
  H      -5.766890      0.867664      8.038747
  H      -5.323671      2.580854      8.161176
  H      -3.468159      0.201322      7.614433
  H      -3.454169      1.238045      9.067840
  C      -2.043016      0.605024      3.393039
  C      -2.852376     -0.690025      3.149091
  C      -3.986570     -0.576071      2.150929
  N      -4.022454      0.474165      1.344990
  C      -5.062714      0.571287      0.470900
  N      -6.059993     -0.269628      0.311171
  C      -6.042404     -1.376280      1.115915
  C      -7.092932     -2.317729      1.001415
  C      -7.119710     -3.425658      1.821423
  C      -6.093214     -3.640872      2.770417
  C      -5.053024     -2.740511      2.897660
  C      -5.003257     -1.585440      2.077761
  C      -4.296931      5.463107      5.690119
  C      -3.905006      6.522023      4.626120
  C      -4.139538      6.035281      3.225211
  N      -5.397821      6.089478      2.797651
  C      -5.657729      5.640310      1.542827
  N      -4.796112      5.168974      0.661367
  C      -3.503377      5.054240      1.097190
  C      -2.557670      4.415382      0.259945
  C      -1.262492      4.224088      0.695145
  C      -0.861106      4.671321      1.976043
  C      -1.765599      5.287076      2.817624
  C      -3.107978      5.483345      2.405111
  C      -6.551288      1.595497      5.647256
  C      -6.606767      0.500850      4.554862
  C      -7.690046      0.713849      3.530920
  N      -7.596380      1.823595      2.799965
  C      -8.500927      2.055034      1.814402
  N      -9.468647      1.247982      1.444487
  C      -9.589838      0.086317      2.155668
  C     -10.575307     -0.852321      1.766630
  C     -10.729666     -2.025212      2.475609
  C      -9.931542     -2.294678      3.612389
  C      -8.950816     -1.409655      4.004157
  C      -8.738030     -0.213106      3.273556
  H      -2.328539      1.343978      2.635368
  H      -0.965099      0.403520      3.272396
  H      -3.275211     -1.023898      4.109457
  H      -2.195895     -1.513210      2.819482
  H      -5.058251      1.459327     -0.171338
  H      -7.875665     -2.125433      0.266859
  H      -7.948062     -4.132677      1.748280
  H      -6.125398     -4.526601      3.406774
  H      -4.266521     -2.923501      3.630500
  H      -5.299929      5.091412      5.434512
  H      -4.381729      5.978481      6.662995
  H      -4.566130      7.387378      4.778072
  H      -2.870524      6.852559      4.788223
  H      -6.713217      5.649983      1.241996
  H      -2.906651      4.056226     -0.708191
  H      -0.540150      3.721353      0.050049
  H       0.169786      4.520739      2.299837
  H      -1.452587      5.610124      3.810482
  H      -7.240743      1.320081      6.461436
  H      -6.918740      2.544421      5.225899
  H      -5.648659      0.518643      4.014993
  H      -6.685213     -0.488732      5.018681
  H      -8.371827      3.006464      1.281188
  H     -11.193414     -0.617149      0.899559
  H     -11.471195     -2.760033      2.159888
  H     -10.084925     -3.218973      4.170941
  H      -8.325798     -1.640285      4.866424
  N      -4.462382      2.752929      3.669646
  N      -5.174024      2.947481      2.618671
  H      -4.673546      2.933444      1.726069
  H      -6.200992      2.616828      2.682779
90
Coordinates from ORCA-job orca E -6141.085445746318
  N      -2.272534      1.240142      4.707192
  Mo     -3.701791      2.505003      5.225486
  N      -5.219022      1.738784      6.221528
  C      -5.071528      1.578122      7.667200
  C      -3.633311      1.199381      7.980269
  N      -2.710397      2.120535      7.266311
  C      -1.397845      1.486954      6.971596
  C      -1.515804      0.567956      5.765710
  C      -2.541194      3.434446      7.951243
  C      -2.372621      4.515009      6.882475
  N      -3.415713      4.352886      5.866628
  H      -0.498963      0.332041      5.404934
  H      -1.980129     -0.399307      6.041140
  H      -0.698593      2.297141      6.720905
  H      -1.010938      0.962011      7.861325
  H      -2.422604      5.516326      7.339114
  H      -1.368996      4.427268      6.429888
  H      -3.440944      3.632050      8.548837
  H      -1.673625      3.396600      8.631496
  H      -5.746486      0.791330      8.044526
  H      -5.346619      2.512667      8.194594
  H      -3.439047      0.187039      7.599302
  H      -3.434092      1.206643      9.065138
  C      -2.042426      0.694682      3.365619
  C      -2.834224     -0.607673      3.104423
  C      -3.973724     -0.494425      2.112882
  N      -4.013223      0.556544      1.307539
  C      -5.054403      0.650959      0.434067
  N      -6.052291     -0.190077      0.278866
  C      -6.031901     -1.296314      1.084050
  C      -7.081610     -2.239319      0.972269
  C      -7.101128     -3.350890      1.787494
  C      -6.069651     -3.566900      2.730925
  C      -5.031562     -2.664234      2.857004
  C      -4.988374     -1.506031      2.041126
  C      -4.306706      5.487016      5.658845
  C      -3.869938      6.519483      4.586742
  C      -4.093702      6.011893      3.191244
  N      -5.343321      6.088285      2.742141
  C      -5.596263      5.610981      1.496377
  N      -4.732741      5.099354      0.638968
  C      -3.448805      4.967664      1.095930
  C      -2.504235      4.292261      0.286044
  C      -1.221573      4.078999      0.747043
  C      -0.831879      4.539458      2.026726
  C      -1.734635      5.193694      2.840483
  C      -3.064298      5.414998      2.401112
  C      -6.568065      1.563328      5.676303
  C      -6.621893      0.476412      4.576044
  C      -7.714916      0.684406      3.561522
  N      -7.632817      1.796519      2.833053
  C      -8.544762      2.026988      1.854136
  N      -9.512860      1.217395      1.490918
  C      -9.623581      0.053603      2.200344
  C     -10.609946     -0.886765      1.817904
  C     -10.752764     -2.063104      2.523543
  C      -9.940329     -2.335480      3.649524
  C      -8.959396     -1.448043      4.035445
  C      -8.760024     -0.246687      3.308956
  H      -2.338978      1.442176      2.620448
  H      -0.962491      0.508619      3.237568
  H      -3.244927     -0.966385      4.060856
  H      -2.166155     -1.413405      2.755156
  H      -5.050854      1.538149     -0.209263
  H      -7.867296     -2.047287      0.240791
  H      -7.925886     -4.061906      1.714219
  H      -6.096145     -4.455676      3.363246
  H      -4.240802     -2.848464      3.584863
  H      -5.308929      5.127342      5.383863
  H      -4.407791      6.020207      6.620446
  H      -4.513111      7.402228      4.713287
  H      -2.830890      6.828412      4.761421
  H      -6.647561      5.632086      1.182063
  H      -2.844132      3.924885     -0.682296
  H      -0.500437      3.547479      0.124141
  H       0.189158      4.369751      2.371568
  H      -1.429564      5.528963      3.831755
  H      -7.251139      1.279215      6.492897
  H      -6.942903      2.513398      5.264503
  H      -5.668691      0.510995      4.028182
  H      -6.684535     -0.518101      5.031713
  H      -8.421160      2.979171      1.320953
  H     -11.238394     -0.649896      0.958819
  H     -11.497354     -2.797457      2.213961
  H     -10.084648     -3.262795      4.205490
  H      -8.324621     -1.679201      4.890382
  N      -4.515499      2.774351      3.693701
  N      -5.244038      2.971754      2.654174
  H      -4.752308      2.956552      1.756137
  H      -6.264967      2.614281      2.722159
90
Coordinates from ORCA-job orca E -6141.087581749302
  N      -2.265834      1.290930      4.697975
  Mo     -3.727346      2.508667      5.238345
  N      -5.225734      1.702159      6.234850
  C      -5.071672      1.526443      7.678204
  C      -3.624234      1.175637      7.981633
  N      -2.724280      2.121018      7.268945
  C      -1.400632      1.515129      6.966623
  C      -1.504893      0.611688      5.748315
  C      -2.582637      3.433727      7.961139
  C      -2.413960      4.523600      6.903512
  N      -3.444405      4.358112      5.874403
  H      -0.484447      0.392045      5.387093
  H      -1.959179     -0.364283      6.009292
  H      -0.714055      2.339684      6.728686
  H      -1.006370      0.982982      7.848727
  H      -2.483926      5.519105      7.370242
  H      -1.403854      4.455502      6.461337
  H      -3.496635      3.615428      8.541998
  H      -1.727643      3.404564      8.657721
  H      -5.727096      0.718948      8.046475
  H      -5.367499      2.446949      8.218713
  H      -3.411703      0.170515      7.591498
  H      -3.418372      1.178542      9.065270
  C      -2.031768      0.764069      3.349956
  C      -2.814911     -0.540873      3.073987
  C      -3.955374     -0.429078      2.083641
  N      -3.992061      0.617221      1.272159
  C      -5.032105      0.707871      0.396339
  N      -6.033643     -0.130133      0.248255
  C      -6.017232     -1.230412      1.061325
  C      -7.070257     -2.170708      0.956284
  C      -7.090636     -3.279248      1.775651
  C      -6.058105     -3.493532      2.718439
  C      -5.017861     -2.592693      2.839222
  C      -4.972866     -1.438307      2.017981
  C      -4.310872      5.505847      5.633576
  C      -3.833814      6.518480      4.558053
  C      -4.054091      6.005658      3.164004
  N      -5.296757      6.110626      2.700615
  C      -5.551361      5.618961      1.460847
  N      -4.692631      5.073142      0.619023
  C      -3.415506      4.919267      1.088259
  C      -2.478985      4.214749      0.294175
  C      -1.206826      3.975128      0.770896
  C      -0.820094      4.436353      2.051291
  C      -1.714676      5.120952      2.848900
  C      -3.033167      5.371861      2.392295
  C      -6.578299      1.527172      5.695366
  C      -6.633633      0.445582      4.589469
  C      -7.733781      0.651108      3.582021
  N      -7.655683      1.763164      2.852948
  C      -8.569548      1.994361      1.876176
  N      -9.541432      1.186289      1.519271
  C      -9.650936      0.023299      2.230998
  C     -10.642674     -0.914454      1.855730
  C     -10.782487     -2.091277      2.561319
  C      -9.960308     -2.367642      3.679338
  C      -8.975111     -1.482216      4.059219
  C      -8.780357     -0.279306      3.333851
  H      -2.330828      1.518948      2.613417
  H      -0.950555      0.585945      3.220241
  H      -3.219717     -0.915409      4.026658
  H      -2.139381     -1.335047      2.712399
  H      -5.024021      1.589963     -0.253856
  H      -7.856144     -1.980311      0.224533
  H      -7.915552     -3.990407      1.705811
  H      -6.085516     -4.379918      3.354100
  H      -4.226156     -2.776116      3.566267
  H      -5.313136      5.160414      5.341683
  H      -4.422763      6.053181      6.585895
  H      -4.456512      7.417843      4.669089
  H      -2.789771      6.802657      4.743775
  H      -6.600995      5.652664      1.140451
  H      -2.816076      3.848094     -0.675459
  H      -0.492137      3.420659      0.160703
  H       0.192373      4.243867      2.409327
  H      -1.411433      5.458635      3.839875
  H      -7.257911      1.238750      6.513304
  H      -6.956375      2.478502      5.289605
  H      -5.684788      0.492124      4.035411
  H      -6.685190     -0.552310      5.038990
  H      -8.442428      2.944583      1.338851
  H     -11.277624     -0.675148      1.002120
  H     -11.533126     -2.822153      2.258104
  H     -10.101789     -3.295709      4.234848
  H      -8.334114     -1.715406      4.908968
  N      -4.552557      2.779814      3.713062
  N      -5.287337      2.973974      2.677909
  H      -4.795110      2.951006      1.779257
  H      -6.300889      2.587380      2.742432
90
Coordinates from ORCA-job orca E -6141.089511334846
  N      -2.270176      1.359128      4.672935
  Mo     -3.761648      2.523518      5.245862
  N      -5.234551      1.671661      6.246455
  C      -5.065526      1.475741      7.685621
  C      -3.607093      1.156435      7.971949
  N      -2.736332      2.130002      7.260276
  C      -1.401463      1.557595      6.941803
  C      -1.495384      0.673198      5.708594
  C      -2.622669      3.439206      7.963257
  C      -2.460774      4.541553      6.918936
  N      -3.482204      4.373430      5.880324
  H      -0.472976      0.474667      5.340665
  H      -1.934117     -0.313553      5.955142
  H      -0.732378      2.399581      6.716008
  H      -0.992955      1.017418      7.812401
  H      -2.550923      5.529388      7.398430
  H      -1.446018      4.496582      6.483542
  H      -3.548274      3.601039      8.531612
  H      -1.777305      3.417943      8.671854
  H      -5.696699      0.644901      8.044355
  H      -5.382054      2.378572      8.243733
  H      -3.375295      0.160741      7.568887
  H      -3.389597      1.152779      9.053233
  C      -2.039955      0.855133      3.315995
  C      -2.803404     -0.458353      3.026610
  C      -3.951026     -0.349689      2.045032
  N      -3.994750      0.697509      1.234950
  C      -5.038080      0.785226      0.362615
  N      -6.039360     -0.054102      0.220584
  C      -6.016476     -1.154656      1.033106
  C      -7.067621     -2.097709      0.932094
  C      -7.078604     -3.209780      1.746898
  C      -6.039690     -3.423360      2.682839
  C      -5.002029     -2.519232      2.800743
  C      -4.965603     -1.362054      1.982942
  C      -4.322336      5.532876      5.604289
  C      -3.799313      6.517179      4.523719
  C      -4.005622      5.981422      3.136647
  N      -5.236103      6.105330      2.646002
  C      -5.479929      5.581640      1.417420
  N      -4.618905      4.991898      0.607797
  C      -3.353195      4.825970      1.102792
  C      -2.415520      4.085518      0.343386
  C      -1.158488      3.831418      0.851335
  C      -0.788043      4.312589      2.129238
  C      -1.683244      5.034667      2.892238
  C      -2.985978      5.303605      2.402028
  C      -6.593120      1.495356      5.720317
  C      -6.650740      0.423772      4.604673
  C      -7.761144      0.625119      3.607603
  N      -7.696289      1.738595      2.878836
  C      -8.617360      1.964080      1.907575
  N      -9.588307      1.151490      1.559062
  C      -9.686266     -0.011734      2.271892
  C     -10.677323     -0.953599      1.905426
  C     -10.802683     -2.133183      2.609003
  C      -9.965215     -2.409142      3.715765
  C      -8.981918     -1.518484      4.088232
  C      -8.803481     -0.311372      3.365659
  H      -2.354061      1.616040      2.592230
  H      -0.957234      0.695115      3.176584
  H      -3.191877     -0.856446      3.976182
  H      -2.116623     -1.233622      2.645064
  H      -5.033744      1.667989     -0.287034
  H      -7.858217     -1.907740      0.205285
  H      -7.899833     -3.925369      1.678575
  H      -6.059959     -4.312397      3.315077
  H      -4.205202     -2.703000      3.522032
  H      -5.322853      5.200266      5.293117
  H      -4.447278      6.097780      6.544430
  H      -4.401740      7.433132      4.607475
  H      -2.752256      6.778808      4.724712
  H      -6.522884      5.626803      1.078111
  H      -2.739054      3.703677     -0.625082
  H      -0.443577      3.248343      0.268674
  H       0.212291      4.106176      2.512770
  H      -1.392782      5.389521      3.881040
  H      -7.263363      1.196361      6.542203
  H      -6.979713      2.448280      5.326934
  H      -5.708574      0.486972      4.041802
  H      -6.686195     -0.579180      5.044422
  H      -8.496571      2.913012      1.366936
  H     -11.323029     -0.715381      1.059612
  H     -11.554217     -2.866070      2.313014
  H     -10.094315     -3.340354      4.269078
  H      -8.329807     -1.750389      4.929922
  N      -4.607181      2.799310      3.732993
  N      -5.354082      2.994404      2.705993
  H      -4.867829      2.972269      1.803559
  H      -6.358513      2.579664      2.772722
90
Coordinates from ORCA-job orca E -6141.091231193932
  N      -2.273877      1.384505      4.670332
  Mo     -3.783618      2.519937      5.255184
  N      -5.244916      1.641773      6.252653
  C      -5.072399      1.433502      7.689717
  C      -3.608711      1.132806      7.971950
  N      -2.752161      2.121052      7.262987
  C      -1.410391      1.566966      6.941186
  C      -1.496786      0.693364      5.700406
  C      -2.657043      3.427032      7.972641
  C      -2.491721      4.537536      6.939410
  N      -3.502566      4.370260      5.890093
  H      -0.473029      0.502333      5.332422
  H      -1.931372     -0.297030      5.939224
  H      -0.749214      2.417696      6.725842
  H      -0.998104      1.020903      7.806244
  H      -2.597622      5.518535      7.429761
  H      -1.472066      4.508833      6.513405
  H      -3.593848      3.578698      8.525329
  H      -1.823519      3.408532      8.695136
  H      -5.689748      0.588475      8.039301
  H      -5.403884      2.324975      8.257204
  H      -3.365304      0.142122      7.563541
  H      -3.387844      1.126926      9.052425
  C      -2.041504      0.888757      3.310959
  C      -2.797283     -0.427959      3.015663
  C      -3.942233     -0.323037      2.031659
  N      -3.975022      0.713898      1.207978
  C      -5.011735      0.795599      0.327260
  N      -6.018678     -0.038308      0.192239
  C      -6.007508     -1.127811      1.019742
  C      -7.063398     -2.066344      0.924442
  C      -7.082921     -3.170406      1.750070
  C      -6.049511     -3.378784      2.693118
  C      -5.008246     -2.478442      2.806591
  C      -4.962102     -1.330202      1.976719
  C      -4.313683      5.544678      5.589154
  C      -3.756799      6.517416      4.513348
  C      -3.964293      5.990826      3.123605
  N      -5.191177      6.133810      2.628952
  C      -5.439947      5.609411      1.402145
  N      -4.585325      5.005699      0.595878
  C      -3.320432      4.831530      1.089411
  C      -2.385414      4.092349      0.325944
  C      -1.127646      3.836007      0.830466
  C      -0.754779      4.310240      2.110287
  C      -1.648004      5.029585      2.878076
  C      -2.950129      5.304370      2.389316
  C      -6.606056      1.469181      5.730093
  C      -6.664939      0.397189      4.614679
  C      -7.776034      0.593693      3.617498
  N      -7.708405      1.700428      2.878338
  C      -8.627006      1.917742      1.903092
  N      -9.602071      1.106396      1.563987
  C      -9.705647     -0.047895      2.289912
  C     -10.703529     -0.987124      1.935699
  C     -10.832799     -2.159719      2.649854
  C      -9.991308     -2.431572      3.754682
  C      -9.002700     -1.542317      4.116574
  C      -8.821818     -0.341363      3.384326
  H      -2.356276      1.651831      2.590132
  H      -0.958179      0.733749      3.171838
  H      -3.181637     -0.834011      3.963181
  H      -2.104452     -1.195354      2.628797
  H      -4.997092      1.669777     -0.333605
  H      -7.849160     -1.880621      0.191350
  H      -7.905471     -3.884534      1.684231
  H      -6.076756     -4.261311      3.334109
  H      -4.215642     -2.658943      3.533241
  H      -5.313737      5.227442      5.261699
  H      -4.445281      6.117639      6.523256
  H      -4.340182      7.445784      4.594453
  H      -2.705943      6.755305      4.723181
  H      -6.481659      5.665352      1.061791
  H      -2.710599      3.713527     -0.642895
  H      -0.414586      3.254101      0.244390
  H       0.245320      4.099439      2.491938
  H      -1.355944      5.380673      3.867654
  H      -7.275877      1.171953      6.552976
  H      -6.990706      2.422795      5.336889
  H      -5.724191      0.464252      4.050378
  H      -6.695964     -0.605887      5.054454
  H      -8.499977      2.858031      1.349816
  H     -11.351118     -0.752494      1.090358
  H     -11.591230     -2.889589      2.364118
  H     -10.122508     -3.357811      4.315733
  H      -8.348644     -1.770216      4.957863
  N      -4.632062      2.802594      3.744937
  N      -5.375397      3.003036      2.715792
  H      -4.884710      2.972797      1.814832
  H      -6.374323      2.572885      2.774610
90
Coordinates from ORCA-job orca E -6141.092730992274
  N      -2.287439      1.423925      4.660220
  Mo     -3.812891      2.528097      5.263187
  N      -5.255730      1.622827      6.264435
  C      -5.072885      1.400279      7.698050
  C      -3.603036      1.120843      7.969340
  N      -2.766595      2.126411      7.261136
  C      -1.417905      1.594934      6.929304
  C      -1.499704      0.731152      5.681359
  C      -2.690039      3.428709      7.978722
  C      -2.528978      4.547616      6.954819
  N      -3.532941      4.378507      5.898404
  H      -0.475832      0.552111      5.307886
  H      -1.924341     -0.264784      5.914713
  H      -0.769010      2.456545      6.720567
  H      -0.995416      1.045258      7.787115
  H      -2.649906      5.522176      7.454714
  H      -1.506465      4.535664      6.534674
  H      -3.634508      3.568156      8.521646
  H      -1.864058      3.414479      8.709943
  H      -5.673190      0.539722      8.039550
  H      -5.418024      2.278353      8.278074
  H      -3.347273      0.136408      7.553404
  H      -3.374819      1.112036      9.048230
  C      -2.055418      0.939145      3.296779
  C      -2.795873     -0.384366      2.991325
  C      -3.943225     -0.282792      2.009890
  N      -3.977491      0.754396      1.186179
  C      -5.012378      0.833736      0.303395
  N      -6.018003     -0.001902      0.167950
  C      -6.005671     -1.091181      0.995716
  C      -7.058989     -2.032420      0.897937
  C      -7.074648     -3.139534      1.719578
  C      -6.040942     -3.347123      2.662435
  C      -5.003117     -2.443411      2.779593
  C      -4.960356     -1.292390      1.953270
  C      -4.315775      5.563981      5.568220
  C      -3.717981      6.515026      4.495417
  C      -3.919304      5.980904      3.107920
  N      -5.136380      6.147446      2.596678
  C      -5.383008      5.613723      1.373791
  N      -4.534005      4.978772      0.585945
  C      -3.276938      4.788514      1.092519
  C      -2.343754      4.035895      0.340352
  C      -1.091790      3.771980      0.855078
  C      -0.724400      4.248147      2.135826
  C      -1.616440      4.979706      2.893292
  C      -2.910805      5.267598      2.391330
  C      -6.620030      1.450006      5.750733
  C      -6.676783      0.384501      4.629898
  C      -7.793140      0.576914      3.639074
  N      -7.735079      1.685271      2.901284
  C      -8.659196      1.895850      1.929736
  N      -9.632090      1.079721      1.595569
  C      -9.727317     -0.074343      2.322583
  C     -10.724118     -1.017313      1.975035
  C     -10.842675     -2.191463      2.688351
  C      -9.990470     -2.461582      3.785459
  C      -9.004056     -1.567550      4.141716
  C      -8.835123     -0.363916      3.410792
  H      -2.378806      1.703942      2.581979
  H      -0.970702      0.797241      3.153833
  H      -3.169072     -0.807800      3.935429
  H      -2.093552     -1.136364      2.591412
  H      -4.996990      1.706818     -0.358602
  H      -7.844719     -1.847362      0.164619
  H      -7.893790     -3.857195      1.650538
  H      -6.065346     -4.231827      3.300560
  H      -4.210542     -2.623574      3.506378
  H      -5.313714      5.261205      5.221524
  H      -4.456491      6.148970      6.493461
  H      -4.279202      7.458124      4.561849
  H      -2.664845      6.728021      4.719129
  H      -6.417779      5.693350      1.018352
  H      -2.664367      3.656087     -0.629625
  H      -0.379393      3.181578      0.276686
  H       0.270505      4.029058      2.526316
  H      -1.328943      5.333724      3.883171
  H      -7.284721      1.146530      6.575405
  H      -7.009001      2.404267      5.363624
  H      -5.739340      0.464934      4.061497
  H      -6.695580     -0.621567      5.063232
  H      -8.540753      2.835689      1.374766
  H     -11.379044     -0.784302      1.134905
  H     -11.601058     -2.923555      2.408070
  H     -10.112079     -3.389833      4.345339
  H      -8.342357     -1.793568      4.977496
  N      -4.674672      2.812358      3.759725
  N      -5.420537      3.013837      2.730758
  H      -4.929205      2.978456      1.829678
  H      -6.409963      2.562831      2.788007
90
Coordinates from ORCA-job orca E -6141.094094744358
  N      -2.306506      1.461377      4.635202
  Mo     -3.843072      2.537805      5.258199
  N      -5.267589      1.605418      6.260988
  C      -5.072846      1.364591      7.690182
  C      -3.597390      1.104461      7.949154
  N      -2.780136      2.128089      7.245113
  C      -1.425749      1.618961      6.900416
  C      -1.505820      0.766454      5.644978
  C      -2.719154      3.424393      7.974296
  C      -2.565023      4.554303      6.962572
  N      -3.564378      4.385815      5.901576
  H      -0.482985      0.599619      5.263268
  H      -1.920197     -0.235007      5.872815
  H      -0.789295      2.491249      6.698183
  H      -0.991728      1.064887      7.749597
  H      -2.699716      5.521210      7.474047
  H      -1.540946      4.559640      6.545969
  H      -3.668762      3.550677      8.511511
  H      -1.898237      3.411686      8.711198
  H      -5.656549      0.488508      8.021106
  H      -5.430048      2.227237      8.285737
  H      -3.330350      0.127663      7.522494
  H      -3.361860      1.089170      9.026413
  C      -2.079560      0.986914      3.267694
  C      -2.806582     -0.343071      2.958368
  C      -3.959955     -0.247207      1.983666
  N      -3.996164      0.784983      1.153383
  C      -5.030876      0.857139      0.270096
  N      -6.037591      0.020931      0.143415
  C      -6.023885     -1.062284      0.979076
  C      -7.076302     -2.005353      0.888520
  C      -7.086615     -3.110406      1.713076
  C      -6.049977     -3.312603      2.653867
  C      -5.014244     -2.405981      2.765665
  C      -4.976009     -1.257799      1.935101
  C      -4.322890      5.580511      5.550592
  C      -3.686915      6.518933      4.489298
  C      -3.865116      5.978322      3.101654
  N      -5.072829      6.144425      2.568900
  C      -5.303149      5.593515      1.350759
  N      -4.446448      4.938625      0.587853
  C      -3.195836      4.756756      1.113012
  C      -2.249721      4.000525      0.381100
  C      -1.000706      3.754310      0.911377
  C      -0.651194      4.247170      2.190796
  C      -1.557328      4.979357      2.930455
  C      -2.846989      5.254802      2.409415
  C      -6.635241      1.431304      5.756069
  C      -6.690593      0.370143      4.630954
  C      -7.815307      0.552808      3.648120
  N      -7.769862      1.657531      2.903791
  C      -8.703033      1.853666      1.937448
  N      -9.674504      1.029961      1.617494
  C      -9.758692     -0.118347      2.354560
  C     -10.757270     -1.066440      2.026147
  C     -10.863878     -2.235713      2.749217
  C      -9.995285     -2.496767      3.835737
  C      -9.007899     -1.596771      4.173984
  C      -8.853507     -0.396139      3.434715
  H      -2.414882      1.752240      2.559045
  H      -0.994210      0.857752      3.117200
  H      -3.165710     -0.780682      3.901337
  H      -2.097017     -1.081250      2.545637
  H      -5.016050      1.725063     -0.398455
  H      -7.863896     -1.824873      0.156067
  H      -7.902851     -3.831548      1.647193
  H      -6.070349     -4.195579      3.294505
  H      -4.219545     -2.581984      3.491177
  H      -5.315918      5.288838      5.181318
  H      -4.477334      6.170806      6.470330
  H      -4.235129      7.470569      4.540215
  H      -2.635876      6.716773      4.735100
  H      -6.330862      5.675760      0.976871
  H      -2.556923      3.606548     -0.587466
  H      -0.277139      3.163961      0.346971
  H       0.340842      4.039699      2.594710
  H      -1.284164      5.346315      3.919723
  H      -7.293752      1.121429      6.583266
  H      -7.029832      2.385450      5.374837
  H      -5.757467      0.463259      4.056841
  H      -6.695365     -0.637547      5.060870
  H      -8.594618      2.787792      1.371533
  H     -11.423636     -0.840600      1.193098
  H     -11.625842     -2.970284      2.485358
  H     -10.106189     -3.421924      4.402881
  H      -8.335395     -1.814892      5.003228
  N      -4.716428      2.826854      3.762174
  N      -5.463397      3.033112      2.732976
  H      -4.971470      2.997564      1.831695
  H      -6.443117      2.564868      2.789022
90
Coordinates from ORCA-job orca E -6141.095349228563
  N      -2.331281      1.498915      4.607254
  Mo     -3.875445      2.550981      5.250609
  N      -5.277016      1.593691      6.261717
  C      -5.066886      1.338486      7.685983
  C      -3.585614      1.098100      7.929029
  N      -2.790530      2.138500      7.225375
  C      -1.431547      1.652322      6.865078
  C      -1.512582      0.807210      5.605014
  C      -2.743394      3.429057      7.964731
  C      -2.602721      4.568609      6.962708
  N      -3.600356      4.396916      5.900798
  H      -0.491958      0.654567      5.211871
  H      -1.913047     -0.200181      5.831051
  H      -0.809504      2.535166      6.664293
  H      -0.982371      1.097577      7.705887
  H      -2.750328      5.528807      7.483390
  H      -1.578902      4.590859      6.545856
  H      -3.695014      3.541519      8.501477
  H      -1.923485      3.419904      8.702733
  H      -5.633291      0.448355      8.009642
  H      -5.433774      2.186734      8.296025
  H      -3.308528      0.128538      7.492559
  H      -3.339900      1.078261      9.003927
  C      -2.109243      1.034555      3.235597
  C      -2.819339     -0.303430      2.920990
  C      -3.978974     -0.214698      1.953070
  N      -4.022374      0.817564      1.122813
  C      -5.058955      0.884940      0.242068
  N      -6.063210      0.044735      0.119670
  C      -6.042473     -1.037969      0.955707
  C      -7.091521     -1.985232      0.868986
  C      -7.092732     -3.092117      1.691072
  C      -6.050771     -3.291562      2.626518
  C      -5.019278     -2.379986      2.736041
  C      -4.990136     -1.229822      1.907731
  C      -4.337846      5.598407      5.530503
  C      -3.662699      6.524390      4.482762
  C      -3.813167      5.974535      3.095883
  N      -5.006661      6.147365      2.534112
  C      -5.217153      5.580144      1.320286
  N      -4.353883      4.896658      0.590189
  C      -3.114601      4.714887      1.142098
  C      -2.157944      3.945579      0.438548
  C      -0.916568      3.710136      0.991172
  C      -0.587563      4.222643      2.268242
  C      -1.505646      4.965259      2.982017
  C      -2.786165      5.234238      2.435313
  C      -6.647830      1.411502      5.768400
  C      -6.701149      0.355020      4.638872
  C      -7.834918      0.530856      3.666119
  N      -7.801589      1.635642      2.921524
  C      -8.744023      1.823917      1.962582
  N      -9.714478      0.994876      1.652743
  C      -9.787475     -0.152097      2.393122
  C     -10.785958     -1.104568      2.077147
  C     -10.879231     -2.273676      2.802297
  C      -9.995987     -2.530647      3.877967
  C      -9.009260     -1.625719      4.204521
  C      -8.869573     -0.424343      3.463607
  H      -2.459444      1.799056      2.533527
  H      -1.023399      0.921745      3.076526
  H      -3.163061     -0.757319      3.861785
  H      -2.100943     -1.024842      2.494146
  H      -5.049321      1.751812     -0.427683
  H      -7.883216     -1.806981      0.140506
  H      -7.905516     -3.817270      1.627038
  H      -6.064044     -4.175878      3.265372
  H      -4.221118     -2.553212      3.458307
  H      -5.324269      5.316137      5.137641
  H      -4.507426      6.193135      6.444834
  H      -4.196950      7.484623      4.515273
  H      -2.615415      6.707306      4.754281
  H      -6.234977      5.670142      0.922023
  H      -2.450435      3.537008     -0.528374
  H      -0.183491      3.112996      0.446627
  H       0.398124      4.022237      2.690745
  H      -1.248555      5.347667      3.969718
  H      -7.297696      1.093455      6.599301
  H      -7.052013      2.363800      5.393060
  H      -5.773154      0.462656      4.059203
  H      -6.690975     -0.654602      5.064059
  H      -8.645824      2.756283      1.392144
  H     -11.462616     -0.882106      1.251599
  H     -11.641980     -3.010880      2.548665
  H     -10.095525     -3.456235      4.446410
  H      -8.326370     -1.840344      5.026119
  N      -4.764160      2.838239      3.762966
  N      -5.513927      3.043906      2.733719
  H      -5.022593      3.007803      1.831279
  H      -6.485668      2.564232      2.791536
90
Coordinates from ORCA-job orca E -6141.096495163879
  N      -2.354082      1.521863      4.588263
  Mo     -3.903377      2.557906      5.245343
  N      -5.288687      1.582648      6.260380
  C      -5.067720      1.313814      7.680302
  C      -3.582380      1.088480      7.912900
  N      -2.802992      2.142299      7.211872
  C      -1.440412      1.674290      6.840648
  C      -1.521296      0.834307      5.577596
  C      -2.766764      3.428083      7.959785
  C      -2.635473      4.575675      6.966292
  N      -3.630832      4.402189      5.902569
  H      -0.502434      0.693353      5.175757
  H      -1.910193     -0.177941      5.802196
  H      -0.830102      2.565578      6.640904
  H      -0.979751      1.120306      7.675832
  H      -2.794768      5.530229      7.494214
  H      -1.611271      4.612365      6.550816
  H      -3.720246      3.529610      8.495609
  H      -1.948410      3.420719      8.699577
  H      -5.621240      0.412396      7.995117
  H      -5.443007      2.149108      8.302955
  H      -3.296899      0.124988      7.468507
  H      -3.330201      1.064495      8.986294
  C      -2.132663      1.064835      3.214257
  C      -2.829611     -0.278808      2.894458
  C      -3.992129     -0.194324      1.929856
  N      -4.036556      0.836689      1.098038
  C      -5.073697      0.902939      0.218227
  N      -6.079577      0.063422      0.099966
  C      -6.058256     -1.017335      0.938333
  C      -7.109027     -1.963445      0.856595
  C      -7.108469     -3.069723      1.679499
  C      -6.063414     -3.269803      2.611541
  C      -5.030973     -2.358873      2.717329
  C      -5.003488     -1.209099      1.888114
  C      -4.347535      5.610793      5.515702
  C      -3.638176      6.527768      4.482824
  C      -3.765217      5.976750      3.093900
  N      -4.947555      6.155918      2.511135
  C      -5.142953      5.581959      1.298158
  N      -4.274645      4.882198      0.589147
  C      -3.042814      4.701736      1.158508
  C      -2.075645      3.932505      0.469078
  C      -0.837597      3.709081      1.034259
  C      -0.524176      4.230077      2.312028
  C      -1.453855      4.970251      3.013186
  C      -2.730149      5.230604      2.452053
  C      -6.660732      1.393886      5.772349
  C      -6.710384      0.337326      4.642696
  C      -7.850540      0.503890      3.676104
  N      -7.822995      1.603091      2.923259
  C      -8.771575      1.780622      1.968004
  N      -9.743869      0.948158      1.672142
  C      -9.811907     -0.191945      2.423849
  C     -10.813839     -1.146558      2.125161
  C     -10.900213     -2.309987      2.860381
  C     -10.005585     -2.559151      3.928712
  C      -9.016236     -1.651356      4.239144
  C      -8.884723     -0.455075      3.488506
  H      -2.493055      1.827861      2.516148
  H      -1.046409      0.964955      3.051105
  H      -3.163226     -0.745245      3.832624
  H      -2.104175     -0.987159      2.457356
  H      -5.064314      1.768423     -0.453461
  H      -7.903357     -1.784779      0.130872
  H      -7.922262     -3.794232      1.618846
  H      -6.075438     -4.153746      3.251138
  H      -4.230912     -2.531809      3.437714
  H      -5.327326      5.337138      5.101262
  H      -4.531276      6.208136      6.425801
  H      -4.160326      7.494973      4.503284
  H      -2.594853      6.697599      4.777449
  H      -6.152164      5.682083      0.880718
  H      -2.357050      3.517870     -0.498876
  H      -0.094772      3.115339      0.498971
  H       0.459215      4.038964      2.744458
  H      -1.207963      5.360178      4.001018
  H      -7.305632      1.072209      6.605713
  H      -7.070778      2.344011      5.398241
  H      -5.786021      0.453784      4.059311
  H      -6.688743     -0.672216      5.067868
  H      -8.677819      2.706415      1.386442
  H     -11.498255     -0.930341      1.304177
  H     -11.666286     -3.048579      2.620426
  H     -10.098954     -3.480900      4.504682
  H      -8.325626     -1.859831      5.056070
  N      -4.797985      2.844188      3.761789
  N      -5.544151      3.051185      2.728137
  H      -5.046042      3.013355      1.829274
  H      -6.504536      2.553833      2.780862
90
Coordinates from ORCA-job orca E -6141.097522026659
  N      -2.376999      1.545090      4.574952
  Mo     -3.930723      2.566175      5.243560
  N      -5.301090      1.574917      6.262254
  C      -5.071149      1.293116      7.677879
  C      -3.582201      1.082150      7.901547
  N      -2.817527      2.148261      7.203076
  C      -1.451930      1.697021      6.822683
  C      -1.531082      0.861912      5.556546
  C      -2.790418      3.429681      7.958274
  C      -2.666209      4.583781      6.971358
  N      -3.658472      4.408199      5.904984
  H      -0.513511      0.733932      5.147357
  H      -1.907770     -0.155499      5.778258
  H      -0.852603      2.595823      6.623514
  H      -0.980897      1.144689      7.653162
  H      -2.835590      5.534012      7.503973
  H      -1.641405      4.631627      6.558234
  H      -3.745112      3.522035      8.493658
  H      -1.973078      3.423706      8.699191
  H      -5.612835      0.381567      7.984138
  H      -5.454238      2.116077      8.312001
  H      -3.288847      0.124470      7.449889
  H      -3.324162      1.054237      8.973453
  C      -2.153807      1.099202      3.198087
  C      -2.838520     -0.248327      2.869121
  C      -4.003359     -0.164744      1.907397
  N      -4.047849      0.866547      1.075629
  C      -5.084783      0.933148      0.196056
  N      -6.091560      0.094299      0.078788
  C      -6.070273     -0.986229      0.917105
  C      -7.121998     -1.931580      0.836810
  C      -7.120420     -3.038696      1.658503
  C      -6.073418     -3.240858      2.587905
  C      -5.040515     -2.330555      2.692920
  C      -5.014294     -1.179438      1.865481
  C      -4.354400      5.622868      5.499379
  C      -3.610911      6.527014      4.479431
  C      -3.717552      5.971702      3.090210
  N      -4.888484      6.160435      2.488147
  C      -5.071547      5.582880      1.275265
  N      -4.201714      4.866708      0.584964
  C      -2.978516      4.681479      1.171001
  C      -2.005902      3.907391      0.494767
  C      -0.773480      3.686171      1.072832
  C      -0.472512      4.212416      2.351457
  C      -1.408613      4.955934      3.040389
  C      -2.678763      5.215968      2.465540
  C      -6.672620      1.375680      5.776335
  C      -6.714782      0.320567      4.644522
  C      -7.861745      0.476118      3.684021
  N      -7.843460      1.570271      2.923483
  C      -8.801034      1.737088      1.975140
  N      -9.774533      0.900537      1.694828
  C      -9.833303     -0.233613      2.455948
  C     -10.837584     -1.191325      2.175704
  C     -10.913974     -2.349617      2.920013
  C     -10.006034     -2.590579      3.979052
  C      -9.014768     -1.678997      4.272084
  C      -8.894412     -0.487436      3.512330
  H      -2.522944      1.863144      2.505594
  H      -1.067067      1.011781      3.032211
  H      -3.164065     -0.727871      3.803270
  H      -2.106761     -0.943758      2.421812
  H      -5.074688      1.797916     -0.476472
  H      -7.917779     -1.751680      0.113009
  H      -7.934584     -3.762743      1.598689
  H      -6.084540     -4.125721      3.226167
  H      -4.239080     -2.504540      3.411495
  H      -5.327370      5.357782      5.064156
  H      -4.551608      6.224732      6.403702
  H      -4.119238      7.501681      4.485304
  H      -2.571986      6.683772      4.796103
  H      -6.071693      5.695935      0.840432
  H      -2.278408      3.490628     -0.474742
  H      -0.025100      3.091246      0.546700
  H       0.506786      4.023390      2.793867
  H      -1.171227      5.350321      4.028557
  H      -7.313312      1.047658      6.610499
  H      -7.090448      2.322782      5.403765
  H      -5.794390      0.449163      4.057605
  H      -6.679528     -0.689224      5.068442
  H      -8.715380      2.657766      1.384877
  H     -11.531747     -0.981515      1.361290
  H     -11.682623     -3.090154      2.694639
  H     -10.091378     -3.508584      4.562151
  H      -8.315017     -1.880618      5.082957
  N      -4.832458      2.850647      3.763524
  N      -5.577852      3.057832      2.727492
  H      -5.076610      3.024341      1.829797
  H      -6.532426      2.553928      2.778174
90
Coordinates from ORCA-job orca E -6141.098432449633
  N      -2.405821      1.553057      4.564301
  Mo     -3.957410      2.574470      5.240130
  N      -5.317501      1.575462      6.263647
  C      -5.078889      1.280185      7.674608
  C      -3.587391      1.076664      7.889332
  N      -2.832491      2.151120      7.192868
  C      -1.466020      1.710000      6.804799
  C      -1.547609      0.875875      5.539033
  C      -2.809691      3.427973      7.955126
  C      -2.691037      4.588556      6.976224
  N      -3.681697      4.413472      5.908489
  H      -0.532392      0.755798      5.121944
  H      -1.915438     -0.144454      5.762048
  H      -0.874178      2.613187      6.603109
  H      -0.986738      1.160250      7.632276
  H      -2.868742      5.533912      7.514924
  H      -1.666227      4.647252      6.564327
  H      -3.764780      3.513286      8.491075
  H      -1.992541      3.420693      8.696167
  H      -5.612953      0.361428      7.972620
  H      -5.465377      2.092786      8.319836
  H      -3.290684      0.123146      7.431243
  H      -3.323294      1.044971      8.959617
  C      -2.181921      1.114133      3.185358
  C      -2.854574     -0.238245      2.850157
  C      -4.019780     -0.158220      1.888551
  N      -4.063988      0.873121      1.056591
  C      -5.097823      0.937740      0.173567
  N      -6.102656      0.096783      0.053176
  C      -6.081956     -0.983325      0.891709
  C      -7.132448     -1.930041      0.809238
  C      -7.131452     -3.037160      1.630820
  C      -6.085438     -3.239136      2.561431
  C      -5.053860     -2.327646      2.668839
  C      -5.028063     -1.175239      1.843029
  C      -4.357012      5.635146      5.488986
  C      -3.583878      6.530173      4.483753
  C      -3.671930      5.977170      3.092023
  N      -4.834443      6.170018      2.475314
  C      -5.005087      5.591986      1.260872
  N      -4.131275      4.868193      0.583693
  C      -2.913569      4.684701      1.181403
  C      -1.930630      3.916840      0.511879
  C      -0.700637      3.705305      1.098451
  C      -0.412979      4.233175      2.379449
  C      -1.359525      4.969206      3.062025
  C      -2.626859      5.221682      2.478004
  C      -6.688262      1.368938      5.780037
  C      -6.721808      0.314814      4.648075
  C      -7.874747      0.458495      3.694123
  N      -7.864185      1.546407      2.924679
  C      -8.830421      1.700735      1.982800
  N      -9.804496      0.859301      1.718335
  C      -9.854334     -0.267985      2.489946
  C     -10.858805     -1.230580      2.227367
  C     -10.924391     -2.383149      2.981488
  C     -10.005273     -2.613092      4.033376
  C      -9.014224     -1.696008      4.309581
  C      -8.905316     -0.510176      3.539328
  H      -2.558449      1.876837      2.495593
  H      -1.094859      1.037370      3.017783
  H      -3.173647     -0.727619      3.781244
  H      -2.116206     -0.922245      2.396113
  H      -5.086925      1.802503     -0.498986
  H      -7.927424     -1.750508      0.084436
  H      -7.945755     -3.761172      1.570534
  H      -6.096866     -4.124348      3.199204
  H      -4.253309     -2.500913      3.388584
  H      -5.323202      5.378228      5.034416
  H      -4.566367      6.239529      6.388933
  H      -4.081364      7.510442      4.480307
  H      -2.549358      6.675845      4.819853
  H      -5.997287      5.714248      0.811518
  H      -2.192543      3.499915     -0.460602
  H       0.056674      3.117554      0.576983
  H       0.564832      4.052046      2.828429
  H      -1.130866      5.365426      4.051665
  H      -7.325617      1.036310      6.614965
  H      -7.111948      2.313549      5.408043
  H      -5.805949      0.455686      4.057481
  H      -6.672666     -0.694718      5.071256
  H      -8.753627      2.615442      1.383116
  H     -11.561198     -1.029409      1.417808
  H     -11.692667     -3.127900      2.769162
  H     -10.081932     -3.527057      4.624002
  H      -8.306213     -1.889187      5.115351
  N      -4.860701      2.862426      3.761591
  N      -5.600053      3.074729      2.719874
  H      -5.089034      3.040033      1.828122
  H      -6.542338      2.553252      2.757672
90
Coordinates from ORCA-job orca E -6141.099258316336
  N      -2.422117      1.572767      4.548738
  Mo     -3.979206      2.580033      5.232260
  N      -5.326599      1.563981      6.254437
  C      -5.082075      1.255345      7.661099
  C      -3.588267      1.066330      7.870753
  N      -2.846550      2.153792      7.180448
  C      -1.476447      1.730283      6.786914
  C      -1.552153      0.901381      5.517363
  C      -2.837181      3.425061      7.951879
  C      -2.725911      4.593351      6.982049
  N      -3.709921      4.417261      5.908002
  H      -0.537067      0.796186      5.095984
  H      -1.906669     -0.124750      5.735361
  H      -0.895735      2.641191      6.587217
  H      -0.988501      1.183106      7.611100
  H      -2.917001      5.532889      7.526681
  H      -1.699683      4.667079      6.575877
  H      -3.794557      3.497468      8.485730
  H      -2.022246      3.419581      8.695457
  H      -5.604948      0.326831      7.948664
  H      -5.477356      2.055384      8.316716
  H      -3.281765      0.119385      7.405610
  H      -3.321225      1.030451      8.940232
  C      -2.195285      1.145750      3.166945
  C      -2.859038     -0.208863      2.823478
  C      -4.025665     -0.126227      1.863891
  N      -4.062842      0.902245      1.027764
  C      -5.096485      0.971223      0.144876
  N      -6.108665      0.138175      0.030024
  C      -6.096622     -0.937501      0.874392
  C      -7.156390     -1.874546      0.799496
  C      -7.163680     -2.977737      1.626304
  C      -6.117457     -3.185186      2.555549
  C      -5.077229     -2.282788      2.656231
  C      -5.042478     -1.134811      1.824551
  C      -4.366805      5.643616      5.471946
  C      -3.563226      6.528654      4.483364
  C      -3.629958      5.974335      3.090984
  N      -4.781459      6.173064      2.455688
  C      -4.937746      5.592044      1.240658
  N      -4.060476      4.855779      0.581766
  C      -2.851821      4.669691      1.196753
  C      -1.860880      3.898853      0.541841
  C      -0.638056      3.689435      1.144000
  C      -0.365933      4.221622      2.426578
  C      -1.320271      4.960990      3.094605
  C      -2.580072      5.212465      2.494161
  C      -6.694329      1.342959      5.768921
  C      -6.714998      0.289552      4.636478
  C      -7.873700      0.418491      3.687831
  N      -7.869539      1.496410      2.904238
  C      -8.846928      1.637578      1.971300
  N      -9.825524      0.793916      1.730274
  C      -9.868638     -0.322055      2.518387
  C     -10.881707     -1.283529      2.285863
  C     -10.942561     -2.423069      3.060027
  C     -10.008335     -2.641466      4.101134
  C      -9.008739     -1.725144      4.347900
  C      -8.906507     -0.551648      3.558088
  H      -2.578623      1.909164      2.481597
  H      -1.107770      1.079295      2.998327
  H      -3.173494     -0.707059      3.751392
  H      -2.117314     -0.884549      2.362551
  H      -5.078357      1.832430     -0.532067
  H      -7.951407     -1.691182      0.075595
  H      -7.984601     -3.694729      1.571259
  H      -6.135812     -4.067385      3.197402
  H      -4.276447     -2.459894      3.374893
  H      -5.324344      5.392951      4.996151
  H      -4.591840      6.250960      6.366218
  H      -4.049804      7.514413      4.467374
  H      -2.534486      6.664816      4.840708
  H      -5.920272      5.725068      0.773795
  H      -2.109568      3.480360     -0.433511
  H       0.126124      3.100866      0.633415
  H       0.606621      4.042485      2.887799
  H      -1.102119      5.361423      4.085108
  H      -7.328674      1.003386      6.603369
  H      -7.127331      2.283347      5.397102
  H      -5.803472      0.443101      4.042572
  H      -6.650613     -0.719281      5.059522
  H      -8.777849      2.543325      1.357771
  H     -11.595672     -1.091148      1.484237
  H     -11.719166     -3.166010      2.872437
  H     -10.081375     -3.545300      4.707684
  H      -8.291081     -1.908584      5.147447
  N      -4.887310      2.863319      3.756107
  N      -5.625926      3.073240      2.711251
  H      -5.109351      3.043727      1.822504
  H      -6.559249      2.540228      2.744779
90
Coordinates from ORCA-job orca E -6141.099987199585
  N      -2.451940      1.589266      4.535850
  Mo     -4.003048      2.595334      5.230404
  N      -5.341824      1.575170      6.258902
  C      -5.088401      1.255250      7.661237
  C      -3.592536      1.070265      7.860327
  N      -2.859401      2.163598      7.170375
  C      -1.490395      1.747365      6.766726
  C      -1.570201      0.920835      5.495540
  C      -2.849960      3.430677      7.948204
  C      -2.742843      4.603769      6.983741
  N      -3.725955      4.429469      5.908761
  H      -0.557541      0.824392      5.066391
  H      -1.915755     -0.108540      5.712184
  H      -0.915378      2.661213      6.563872
  H      -0.993786      1.201342      7.586456
  H      -2.936858      5.540268      7.532584
  H      -1.716953      4.682821      6.577739
  H      -3.805607      3.498514      8.485569
  H      -2.032472      3.423380      8.688926
  H      -5.605665      0.322244      7.944220
  H      -5.483148      2.047987      8.325899
  H      -3.285856      0.126479      7.389128
  H      -3.318429      1.030228      8.927867
  C      -2.227762      1.176089      3.149628
  C      -2.880063     -0.182002      2.795960
  C      -4.048804     -0.102858      1.838647
  N      -4.094166      0.930438      1.008641
  C      -5.127829      0.995842      0.125716
  N      -6.132496      0.154790      0.005282
  C      -6.111807     -0.925842      0.843023
  C      -7.163691     -1.871051      0.762245
  C      -7.161615     -2.979637      1.581842
  C      -6.113109     -3.184754      2.508741
  C      -5.080782     -2.274222      2.615312
  C      -5.056438     -1.120010      1.792194
  C      -4.365343      5.660924      5.460736
  C      -3.534810      6.531781      4.482865
  C      -3.585989      5.969345      3.093123
  N      -4.725495      6.177521      2.439556
  C      -4.868574      5.594540      1.224056
  N      -3.990137      4.844564      0.582857
  C      -2.792621      4.649800      1.216231
  C      -1.797719      3.871102      0.577232
  C      -0.584362      3.656166      1.196313
  C      -0.326331      4.190460      2.480690
  C      -1.284477      4.938949      3.132829
  C      -2.534547      5.196103      2.514701
  C      -6.708616      1.343214      5.776220
  C      -6.720498      0.293014      4.640727
  C      -7.887116      0.406693      3.699961
  N      -7.897016      1.479207      2.908619
  C      -8.883269      1.604591      1.982651
  N      -9.856025      0.750743      1.754931
  C      -9.884154     -0.359377      2.551279
  C     -10.889890     -1.331607      2.332792
  C     -10.935315     -2.465512      3.116042
  C      -9.992059     -2.667741      4.152108
  C      -8.998762     -1.740840      4.384653
  C      -8.912950     -0.572527      3.585493
  H      -2.619985      1.942138      2.472111
  H      -1.140498      1.120342      2.975864
  H      -3.187007     -0.691410      3.720116
  H      -2.132573     -0.845356      2.326899
  H      -5.116416      1.860802     -0.546166
  H      -7.960398     -1.689593      0.039935
  H      -7.976812     -3.702651      1.523026
  H      -6.123863     -4.071311      3.144462
  H      -4.278232     -2.449486      3.332254
  H      -5.317512      5.418958      4.970070
  H      -4.598022      6.272919      6.349799
  H      -4.007425      7.523974      4.452834
  H      -2.510754      6.656749      4.856584
  H      -5.840364      5.740559      0.739623
  H      -2.033596      3.453479     -0.401521
  H       0.183357      3.062537      0.697362
  H       0.638853      4.007361      2.955329
  H      -1.075846      5.342418      4.123952
  H      -7.338906      0.995802      6.610512
  H      -7.150220      2.280593      5.407034
  H      -5.815363      0.463507      4.041948
  H      -6.637395     -0.715676      5.060827
  H      -8.827975      2.505559      1.361383
  H     -11.611033     -1.151885      1.534846
  H     -11.706425     -3.216525      2.939414
  H     -10.053065     -3.567417      4.765849
  H      -8.274017     -1.912011      5.180369
  N      -4.918603      2.882302      3.758483
  N      -5.658796      3.092597      2.713676
  H      -5.140033      3.069178      1.825646
  H      -6.586293      2.551765      2.742328
90
Coordinates from ORCA-job orca E -6141.100637221357
  N      -2.474847      1.591344      4.536337
  Mo     -4.022844      2.601293      5.232025
  N      -5.356638      1.576765      6.261776
  C      -5.099702      1.246539      7.660865
  C      -3.602844      1.066652      7.856702
  N      -2.875822      2.165752      7.169288
  C      -1.505698      1.757366      6.762684
  C      -1.584617      0.929663      5.492308
  C      -2.872779      3.429145      7.952917
  C      -2.768460      4.607687      6.995904
  N      -3.744352      4.434419      5.914149
  H      -0.572966      0.840305      5.059384
  H      -1.922233     -0.102097      5.710142
  H      -0.936621      2.674418      6.557086
  H      -1.003621      1.215085      7.581613
  H      -2.972956      5.539288      7.549627
  H      -1.740845      4.698242      6.596489
  H      -3.830123      3.489997      8.488091
  H      -2.057234      3.421388      8.695742
  H      -5.612067      0.308587      7.936165
  H      -5.497814      2.031576      8.332598
  H      -3.292730      0.125641      7.382271
  H      -3.326343      1.024832      8.923596
  C      -2.248858      1.186139      3.148402
  C      -2.895582     -0.172392      2.785737
  C      -4.059921     -0.089288      1.823680
  N      -4.095658      0.944580      0.993843
  C      -5.122760      1.014442      0.103665
  N      -6.129831      0.177077     -0.023742
  C      -6.119958     -0.903074      0.814943
  C      -7.176667     -1.842493      0.729112
  C      -7.185799     -2.950032      1.550214
  C      -6.143578     -3.160475      2.483031
  C      -5.106695     -2.255696      2.594502
  C      -5.071646     -1.101926      1.771046
  C      -4.361909      5.671502      5.450563
  C      -3.505249      6.528970      4.483712
  C      -3.547747      5.970094      3.091642
  N      -4.679544      6.190458      2.428845
  C      -4.815756      5.615296      1.208743
  N      -3.938076      4.860221      0.572552
  C      -2.745804      4.657239      1.212987
  C      -1.745598      3.886121      0.572773
  C      -0.534735      3.669779      1.196142
  C      -0.285261      4.192810      2.486939
  C      -1.248482      4.934008      3.140063
  C      -2.495264      5.195082      2.516669
  C      -6.719284      1.330684      5.775384
  C      -6.715062      0.280014      4.640946
  C      -7.884331      0.377462      3.702329
  N      -7.898730      1.440560      2.898267
  C      -8.892497      1.552755      1.978253
  N      -9.866459      0.695449      1.768392
  C      -9.888967     -0.404553      2.578835
  C     -10.897293     -1.378753      2.381673
  C     -10.937604     -2.501483      3.181204
  C      -9.985800     -2.690495      4.212119
  C      -8.989716     -1.761414      4.423595
  C      -8.910055     -0.604122      3.607952
  H      -2.643559      1.953822      2.474416
  H      -1.161564      1.136025      2.974818
  H      -3.203997     -0.687823      3.705994
  H      -2.144403     -0.830184      2.314720
  H      -5.102102      1.879009     -0.568585
  H      -7.968417     -1.657217      0.002240
  H      -8.005300     -3.668046      1.488284
  H      -6.163293     -4.046326      3.119635
  H      -4.309193     -2.434683      3.316247
  H      -5.308206      5.437689      4.945056
  H      -4.602834      6.289058      6.333725
  H      -3.962543      7.528231      4.448253
  H      -2.484154      6.639126      4.869804
  H      -5.779420      5.777124      0.713596
  H      -1.973085      3.477654     -0.412016
  H       0.237956      3.083927      0.695475
  H       0.678176      4.008689      2.964940
  H      -1.044458      5.331209      4.134722
  H      -7.349210      0.978649      6.608038
  H      -7.168208      2.263366      5.403207
  H      -5.813711      0.464979      4.041394
  H      -6.615616     -0.727306      5.061228
  H      -8.845873      2.446233      1.346152
  H     -11.625066     -1.209440      1.587336
  H     -11.711183     -3.253961      3.021680
  H     -10.042750     -3.581679      4.838647
  H      -8.258849     -1.922508      5.215978
  N      -4.939015      2.886450      3.760659
  N      -5.676795      3.095280      2.711549
  H      -5.151991      3.071183      1.827022
  H      -6.594810      2.542482      2.732664
90
Coordinates from ORCA-job orca E -6141.101192993543
  N      -2.499393      1.608432      4.529255
  Mo     -4.046909      2.612880      5.233029
  N      -5.371727      1.578590      6.265196
  C      -5.107234      1.238412      7.660559
  C      -3.608443      1.067495      7.849495
  N      -2.891750      2.174507      7.163539
  C      -1.520414      1.777480      6.750272
  C      -1.598520      0.951963      5.478301
  C      -2.895720      3.434530      7.952892
  C      -2.796377      4.618746      7.003105
  N      -3.766054      4.445931      5.915516
  H      -0.588178      0.873250      5.040281
  H      -1.925546     -0.083550      5.694657
  H      -0.959474      2.699314      6.543389
  H      -1.010366      1.237907      7.566139
  H      -3.011494      5.545196      7.561840
  H      -1.767420      4.721544      6.609639
  H      -3.854087      3.487309      8.487170
  H      -2.080951      3.427319      8.696613
  H      -5.611579      0.294218      7.929143
  H      -5.509124      2.014513      8.340374
  H      -3.293775      0.130444      7.370236
  H      -3.326743      1.023731      8.915012
  C      -2.272038      1.219565      3.136959
  C      -2.914864     -0.137062      2.760101
  C      -4.076435     -0.047055      1.795448
  N      -4.107438      0.991028      0.970757
  C      -5.131482      1.067183      0.077115
  N      -6.140607      0.232938     -0.056572
  C      -6.136775     -0.850014      0.778570
  C      -7.197467     -1.784630      0.688159
  C      -7.212945     -2.894361      1.506359
  C      -6.173326     -3.112133      2.440577
  C      -5.132516     -2.212333      2.556230
  C      -5.091218     -1.056195      1.736242
  C      -4.359917      5.688341      5.434322
  C      -3.475487      6.525762      4.474804
  C      -3.503421      5.957629      3.085587
  N      -4.625244      6.181419      2.407261
  C      -4.750024      5.599778      1.188788
  N      -3.870138      4.833690      0.568970
  C      -2.686401      4.628470      1.224297
  C      -1.681793      3.850664      0.599318
  C      -0.478255      3.634521      1.236833
  C      -0.241198      4.163711      2.527730
  C      -1.209266      4.911255      3.166508
  C      -2.448399      5.172896      2.527929
  C      -6.730877      1.314152      5.778489
  C      -6.711614      0.261253      4.646310
  C      -7.885054      0.338702      3.711231
  N      -7.907978      1.391389      2.893590
  C      -8.908844      1.486649      1.978827
  N      -9.881131      0.622807      1.787402
  C      -9.894665     -0.466070      2.613061
  C     -10.902839     -1.444841      2.438296
  C     -10.934505     -2.555826      3.254626
  C      -9.972814     -2.728783      4.279465
  C      -8.976656     -1.794835      4.469100
  C      -8.907214     -0.648525      3.637031
  H      -2.669394      1.993050      2.471348
  H      -1.184740      1.175551      2.962024
  H      -3.224303     -0.661152      3.675140
  H      -2.161027     -0.788519      2.284390
  H      -5.105954      1.934665     -0.591358
  H      -7.987253     -1.593890     -0.039623
  H      -8.035481     -3.608745      1.441143
  H      -6.198311     -3.999789      3.074693
  H      -4.337036     -2.396916      3.279012
  H      -5.300927      5.463126      4.915358
  H      -4.606854      6.315152      6.309363
  H      -3.916822      7.531624      4.424619
  H      -2.458945      6.623854      4.875948
  H      -5.704515      5.769073      0.678608
  H      -1.898131      3.438028     -0.386381
  H       0.298646      3.044736      0.747114
  H       0.716672      3.979638      3.017133
  H      -1.013923      5.314146      4.160740
  H      -7.357455      0.956869      6.611398
  H      -7.190521      2.240524      5.403559
  H      -5.815536      0.461260      4.044032
  H      -6.593364     -0.743686      5.067882
  H      -8.872059      2.371104      1.333845
  H     -11.638080     -1.288425      1.647999
  H     -11.708909     -3.311463      3.113479
  H     -10.022605     -3.611268      4.919020
  H      -8.238558     -1.943413      5.257429
  N      -4.967380      2.897735      3.764946
  N      -5.706681      3.103226      2.714825
  H      -5.176139      3.090256      1.833452
  H      -6.606100      2.521789      2.723139
90
Coordinates from ORCA-job orca E -6141.101670348834
  N      -2.522352      1.613499      4.537952
  Mo     -4.064078      2.622873      5.242319
  N      -5.389561      1.589388      6.274897
  C      -5.124725      1.242755      7.668682
  C      -3.625785      1.071903      7.856655
  N      -2.910861      2.180401      7.171813
  C      -1.539620      1.785937      6.757059
  C      -1.617210      0.959887      5.484580
  C      -2.916435      3.438627      7.963834
  C      -2.812890      4.625235      7.017283
  N      -3.773733      4.455529      5.921464
  H      -0.607183      0.885855      5.045071
  H      -1.939599     -0.077092      5.700618
  H      -0.980942      2.708660      6.548486
  H      -1.027122      1.247954      7.572389
  H      -3.033600      5.549753      7.577161
  H      -1.780921      4.731449      6.632644
  H      -3.876147      3.490290      8.495701
  H      -2.103593      3.429639      8.709516
  H      -5.628364      0.297113      7.933036
  H      -5.527001      2.015585      8.351820
  H      -3.310828      0.135644      7.376216
  H      -3.343201      1.026964      8.921848
  C      -2.293592      1.235338      3.143479
  C      -2.936668     -0.117685      2.754956
  C      -4.090273     -0.018944      1.781942
  N      -4.112864      1.024757      0.963861
  C      -5.129162      1.107533      0.061994
  N      -6.138039      0.275475     -0.085136
  C      -6.143014     -0.812426      0.743538
  C      -7.204670     -1.744271      0.639540
  C      -7.228534     -2.858460      1.451463
  C      -6.196640     -3.083782      2.392074
  C      -5.154884     -2.187060      2.520442
  C      -5.105754     -1.026059      1.708094
  C      -4.344232      5.702174      5.423445
  C      -3.436166      6.517790      4.468177
  C      -3.465350      5.948342      3.079333
  N      -4.581474      6.186244      2.396829
  C      -4.704017      5.615979      1.172933
  N      -3.827956      4.847231      0.551947
  C      -2.650050      4.626192      1.212205
  C      -1.647485      3.848204      0.584800
  C      -0.448702      3.617873      1.226212
  C      -0.214649      4.133134      2.523160
  C      -1.180536      4.881709      3.163925
  C      -2.414694      5.157437      2.521921
  C      -6.742838      1.309580      5.782066
  C      -6.706431      0.253200      4.653176
  C      -7.881114      0.310440      3.718021
  N      -7.913183      1.353472      2.887761
  C      -8.919450      1.431083      1.977331
  N      -9.887480      0.559691      1.801145
  C      -9.891380     -0.518774      2.639862
  C     -10.895907     -1.503911      2.482753
  C     -10.918552     -2.604267      3.313468
  C      -9.950325     -2.760200      4.334697
  C      -8.957229     -1.819552      4.507066
  C      -8.897902     -0.683330      3.660642
  H      -2.689529      2.014467      2.483757
  H      -1.206346      1.192322      2.968880
  H      -3.254504     -0.645142      3.665052
  H      -2.180938     -0.768427      2.281568
  H      -5.096621      1.979068     -0.600628
  H      -7.988373     -1.548002     -0.093052
  H      -8.051745     -3.570849      1.376084
  H      -6.228478     -3.974761      3.020899
  H      -4.365331     -2.377764      3.247882
  H      -5.282850      5.487527      4.895659
  H      -4.591132      6.339314      6.290826
  H      -3.855997      7.532465      4.412296
  H      -2.420712      6.596023      4.876006
  H      -5.650905      5.803758      0.655917
  H      -1.859759      3.447670     -0.406591
  H       0.326957      3.028624      0.734256
  H       0.739407      3.938234      3.015475
  H      -0.986798      5.275393      4.161945
  H      -7.371456      0.949854      6.612304
  H      -7.208650      2.230028      5.400340
  H      -5.813137      0.465960      4.051038
  H      -6.572768     -0.748424      5.078202
  H      -8.893056      2.306559      1.320763
  H     -11.636210     -1.361102      1.694835
  H     -11.690907     -3.364358      3.186993
  H      -9.992645     -3.634546      4.985586
  H      -8.213876     -1.954886      5.292680
  N      -4.987505      2.905955      3.774992
  N      -5.731865      3.104526      2.726330
  H      -5.203917      3.100186      1.843645
  H      -6.627216      2.517764      2.735540
90
Coordinates from ORCA-job orca E -6141.102061453118
  N      -2.545392      1.625623      4.532266
  Mo     -4.084942      2.633718      5.242643
  N      -5.402480      1.590133      6.276135
  C      -5.130329      1.233457      7.666111
  C      -3.629769      1.070173      7.847677
  N      -2.924858      2.186917      7.166068
  C      -1.552035      1.804750      6.745718
  C      -1.628196      0.980521      5.472319
  C      -2.938614      3.440096      7.965413
  C      -2.840812      4.633847      7.028376
  N      -3.793696      4.465518      5.925809
  H      -0.619931      0.917123      5.027265
  H      -1.939275     -0.059810      5.688835
  H      -1.001806      2.732460      6.537000
  H      -1.032101      1.269090      7.557865
  H      -3.073655      5.551567      7.594780
  H      -1.807464      4.753927      6.651165
  H      -3.899438      3.482299      8.496088
  H      -2.126842      3.431235      8.712198
  H      -5.627289      0.282531      7.923816
  H      -5.535045      1.997853      8.357123
  H      -3.310776      0.138298      7.361508
  H      -3.342747      1.022141      8.911550
  C      -2.317069      1.257479      3.135119
  C      -2.957126     -0.094957      2.740628
  C      -4.104186      0.005884      1.760682
  N      -4.118933      1.048624      0.941099
  C      -5.127426      1.130605      0.030211
  N      -6.136011      0.299022     -0.123339
  C      -6.149913     -0.786500      0.708495
  C      -7.213830     -1.715470      0.600970
  C      -7.247537     -2.825490      1.418373
  C      -6.222733     -3.050612      2.366685
  C      -5.178321     -2.157451      2.497519
  C      -5.120633     -0.999534      1.681418
  C      -4.341086      5.716113      5.412269
  C      -3.407658      6.512358      4.465763
  C      -3.427330      5.938760      3.078372
  N      -4.536833      6.179174      2.386100
  C      -4.648594      5.612119      1.159644
  N      -3.768927      4.841526      0.546317
  C      -2.597655      4.617228      1.217074
  C      -1.589086      3.842155      0.595758
  C      -0.395208      3.611647      1.246205
  C      -0.172219      4.123972      2.546269
  C      -1.143700      4.870629      3.180722
  C      -2.373008      5.146713      2.529528
  C      -6.751040      1.292730      5.782377
  C      -6.702511      0.233319      4.656765
  C      -7.880563      0.276858      3.725869
  N      -7.918659      1.313144      2.887505
  C      -8.932884      1.382754      1.985318
  N      -9.903661      0.511158      1.825841
  C      -9.901098     -0.560136      2.673618
  C     -10.908579     -1.544769      2.534422
  C     -10.924040     -2.638721      3.373681
  C      -9.945560     -2.788060      4.386066
  C      -8.949712     -1.847293      4.541375
  C      -8.897615     -0.717590      3.685644
  H      -2.715990      2.039087      2.480046
  H      -1.230122      1.219088      2.958639
  H      -3.281307     -0.622661      3.648330
  H      -2.198719     -0.745552      2.271367
  H      -5.087673      2.000596     -0.634007
  H      -7.992170     -1.519478     -0.137307
  H      -8.073814     -3.534399      1.342002
  H      -6.262735     -3.938155      2.999826
  H      -4.394399     -2.348005      3.231044
  H      -5.274419      5.510105      4.871876
  H      -4.591917      6.362343      6.271756
  H      -3.809644      7.533770      4.400867
  H      -2.396422      6.575417      4.886276
  H      -5.588041      5.806899      0.631941
  H      -1.791865      3.444864     -0.398895
  H       0.385318      3.025136      0.758720
  H       0.778101      3.929073      3.045752
  H      -0.957763      5.263705      4.180460
  H      -7.377765      0.930342      6.612869
  H      -7.225505      2.206737      5.395897
  H      -5.813243      0.456287      4.052362
  H      -6.556201     -0.765776      5.083750
  H      -8.913462      2.251596      1.320156
  H     -11.656451     -1.407625      1.752689
  H     -11.698009     -3.399170      3.260767
  H      -9.981743     -3.657616      5.043669
  H      -8.198105     -1.977672      5.319920
  N      -5.013848      2.915455      3.778818
  N      -5.763800      3.107470      2.731885
  H      -5.234470      3.124049      1.850125
  H      -6.639193      2.492679      2.729957
90
Coordinates from ORCA-job orca E -6141.102387757249
  N      -2.567072      1.639662      4.529529
  Mo     -4.103935      2.645439      5.245825
  N      -5.419574      1.596736      6.277700
  C      -5.144205      1.231670      7.664971
  C      -3.643139      1.070972      7.843323
  N      -2.942776      2.192753      7.165977
  C      -1.569183      1.817689      6.742260
  C      -1.643353      0.997561      5.465362
  C      -2.961547      3.442352      7.970672
  C      -2.862055      4.640758      7.039695
  N      -3.805741      4.476819      5.928817
  H      -0.635702      0.942206      5.017969
  H      -1.947345     -0.045630      5.678520
  H      -1.023255      2.748516      6.536389
  H      -1.045786      1.281373      7.551762
  H      -3.102564      5.554714      7.609278
  H      -1.825976      4.767307      6.671686
  H      -3.924048      3.479986      8.498587
  H      -2.152180      3.431891      8.720060
  H      -5.638662      0.278046      7.917205
  H      -5.549742      1.990624      8.361407
  H      -3.322206      0.142215      7.352572
  H      -3.354412      1.019122      8.906594
  C      -2.338548      1.280425      3.130310
  C      -2.975507     -0.071161      2.728444
  C      -4.116520      0.034143      1.742532
  N      -4.130721      1.084103      0.932301
  C      -5.137943      1.172681      0.020584
  N      -6.145451      0.341428     -0.141298
  C      -6.160142     -0.750784      0.681604
  C      -7.224595     -1.678197      0.567009
  C      -7.259924     -2.793328      1.377299
  C      -6.235413     -3.026429      2.323904
  C      -5.190204     -2.135296      2.461030
  C      -5.131966     -0.971390      1.653595
  C      -4.328101      5.731226      5.399383
  C      -3.370057      6.505784      4.459887
  C      -3.384382      5.929332      3.073454
  N      -4.490108      6.171110      2.375550
  C      -4.594276      5.608916      1.146223
  N      -3.711580      4.839669      0.535885
  C      -2.545941      4.610181      1.214321
  C      -1.535424      3.833991      0.597588
  C      -0.346605      3.598278      1.255382
  C      -0.130707      4.107023      2.557929
  C      -1.103959      4.855281      3.187642
  C      -2.328452      5.136125      2.529498
  C      -6.763540      1.287878      5.781242
  C      -6.705532      0.219827      4.664193
  C      -7.885942      0.246718      3.736383
  N      -7.930720      1.272789      2.885817
  C      -8.949891      1.328366      1.988359
  N      -9.919250      0.452537      1.844700
  C      -9.908856     -0.609192      2.704333
  C     -10.913305     -1.598866      2.580775
  C     -10.919394     -2.684659      3.430725
  C      -9.934721     -2.819742      4.438899
  C      -8.942050     -1.873409      4.579489
  C      -8.899274     -0.751968      3.712393
  H      -2.739950      2.064590      2.479980
  H      -1.251745      1.246745      2.952565
  H      -3.306909     -0.600161      3.632779
  H      -2.214867     -0.721887      2.263195
  H      -5.097468      2.047965     -0.636362
  H      -8.002749     -1.476245     -0.169795
  H      -8.087620     -3.500136      1.296893
  H      -6.276966     -3.917993      2.951200
  H      -4.406785     -2.332068      3.193334
  H      -5.257522      5.535161      4.848710
  H      -4.580019      6.387907      6.250689
  H      -3.751419      7.534673      4.387725
  H      -2.362467      6.551468      4.890925
  H      -5.527761      5.811455      0.611050
  H      -1.732196      3.440626     -0.399879
  H       0.435502      3.010928      0.771527
  H       0.815721      3.908178      3.063156
  H      -0.923408      5.246219      4.189185
  H      -7.392119      0.928914      6.611847
  H      -7.241131      2.196246      5.385395
  H      -5.819089      0.445648      4.056721
  H      -6.550554     -0.774687      5.098779
  H      -8.937621      2.188411      1.312009
  H     -11.665771     -1.473020      1.801618
  H     -11.690037     -3.450011      3.329379
  H      -9.962999     -3.682996      5.105080
  H      -8.184889     -1.993101      5.354319
  N      -5.038205      2.925563      3.784281
  N      -5.797640      3.107867      2.741883
  H      -5.272391      3.143380      1.858982
  H      -6.659273      2.473634      2.738957
90
Coordinates from ORCA-job orca E -6141.102640732731
  N      -2.582465      1.653417      4.523908
  Mo     -4.119273      2.654943      5.244478
  N      -5.428931      1.596661      6.275253
  C      -5.149101      1.222334      7.659278
  C      -3.646651      1.068972      7.833740
  N      -2.954844      2.198663      7.160901
  C      -1.579358      1.834759      6.733941
  C      -1.649832      1.017988      5.455015
  C      -2.980048      3.443852      7.971671
  C      -2.883474      4.647919      7.047727
  N      -3.819549      4.484173      5.931258
  H      -0.643196      0.973265      5.004330
  H      -1.943764     -0.028490      5.666195
  H      -1.039968      2.769879      6.530476
  H      -1.051048      1.299064      7.540633
  H      -3.133138      5.557018      7.621216
  H      -1.846145      4.783144      6.686012
  H      -3.943387      3.474887      8.498401
  H      -2.171685      3.433393      8.722104
  H      -5.638157      0.264514      7.905815
  H      -5.557113      1.973979      8.362067
  H      -3.321833      0.144731      7.337113
  H      -3.355275      1.012696      8.896070
  C      -2.353515      1.299391      3.123614
  C      -2.985911     -0.053607      2.720837
  C      -4.120012      0.050485      1.727380
  N      -4.129436      1.099088      0.915434
  C      -5.130820      1.185255     -0.002642
  N      -6.137122      0.353336     -0.168803
  C      -6.156606     -0.737141      0.656173
  C      -7.220957     -1.664209      0.538626
  C      -7.261599     -2.776468      1.352563
  C      -6.241913     -3.008009      2.304779
  C      -5.196512     -2.117659      2.444157
  C      -5.133811     -0.955924      1.633953
  C      -4.325453      5.740252      5.389985
  C      -3.348042      6.499417      4.458021
  C      -3.355258      5.918525      3.073253
  N      -4.455741      6.162593      2.367840
  C      -4.548559      5.609519      1.133584
  N      -3.660870      4.843683      0.526337
  C      -2.502694      4.607639      1.214900
  C      -1.488423      3.832372      0.603140
  C      -0.306229      3.590003      1.270361
  C      -0.100552      4.092361      2.576992
  C      -1.077111      4.840683      3.201409
  C      -2.295650      5.126976      2.534481
  C      -6.768615      1.276583      5.776638
  C      -6.705376      0.204537      4.662971
  C      -7.891570      0.223722      3.742772
  N      -7.947672      1.249656      2.892661
  C      -8.977812      1.304277      2.008014
  N      -9.949179      0.428666      1.877232
  C      -9.927155     -0.633357      2.736170
  C     -10.934646     -1.621657      2.627237
  C     -10.930408     -2.707127      3.477601
  C      -9.931274     -2.843476      4.471164
  C      -8.935507     -1.898363      4.597614
  C      -8.903829     -0.776490      3.730425
  H      -2.760247      2.082870      2.476040
  H      -1.267035      1.271853      2.943196
  H      -3.326242     -0.578114      3.624519
  H      -2.222380     -0.707321      2.264815
  H      -5.086370      2.058765     -0.661608
  H      -7.994963     -1.464179     -0.202999
  H      -8.089123     -3.482843      1.269612
  H      -6.287383     -3.897781      2.934268
  H      -4.416776     -2.313292      3.180641
  H      -5.249869      5.549985      4.829136
  H      -4.580375      6.403995      6.234898
  H      -3.713266      7.533668      4.378622
  H      -2.344753      6.532592      4.899796
  H      -5.474894      5.820331      0.589371
  H      -1.677088      3.446482     -0.398798
  H       0.478674      3.003208      0.790489
  H       0.840763      3.888581      3.089675
  H      -0.904487      5.226752      4.206210
  H      -7.398202      0.917981      6.606701
  H      -7.250085      2.180320      5.375110
  H      -5.823059      0.435213      4.051138
  H      -6.543151     -0.787725      5.100147
  H      -8.974459      2.163269      1.330486
  H     -11.698290     -1.494593      1.859302
  H     -11.704166     -3.471013      3.388532
  H      -9.951277     -3.706021      5.138498
  H      -8.167886     -2.018005      5.362035
  N      -5.059936      2.933928      3.785750
  N      -5.831733      3.106145      2.750738
  H      -5.318118      3.177951      1.863580
  H      -6.683557      2.459145      2.745271
90
Coordinates from ORCA-job orca E -6141.102839993377
  N      -2.599817      1.670480      4.519529
  Mo     -4.137334      2.666002      5.246243
  N      -5.443440      1.601104      6.276402
  C      -5.159867      1.218517      7.657388
  C      -3.656810      1.070633      7.828577
  N      -2.971226      2.206190      7.159657
  C      -1.594230      1.850411      6.729869
  C      -1.661796      1.038035      5.447743
  C      -3.003139      3.448216      7.975005
  C      -2.905448      4.656336      7.056679
  N      -3.832423      4.494799      5.932373
  H      -0.655599      1.001302      4.995386
  H      -1.948841     -0.011218      5.655068
  H      -1.059238      2.788885      6.530029
  H      -1.062902      1.314142      7.534264
  H      -3.163614      5.561782      7.632451
  H      -1.865919      4.798255      6.703554
  H      -3.968898      3.474350      8.497651
  H      -2.198178      3.437107      8.729150
  H      -5.644312      0.256897      7.898143
  H      -5.570650      1.963345      8.365817
  H      -3.328625      0.150137      7.327190
  H      -3.363327      1.010841      8.890190
  C      -2.371832      1.318215      3.118433
  C      -3.004695     -0.033721      2.712357
  C      -4.132152      0.077909      1.711690
  N      -4.132384      1.130174      0.904696
  C      -5.131567      1.228673     -0.014347
  N      -6.144837      0.405867     -0.184991
  C      -6.172803     -0.689248      0.633551
  C      -7.245214     -1.606574      0.511515
  C      -7.294664     -2.723274      1.318745
  C      -6.275367     -2.970073      2.267875
  C      -5.222385     -2.089344      2.411837
  C      -5.151460     -0.922314      1.609717
  C      -4.315023      5.753098      5.374750
  C      -3.315961      6.490659      4.448322
  C      -3.316132      5.904333      3.065289
  N      -4.412998      6.145284      2.353010
  C      -4.494661      5.596003      1.116014
  N      -3.600661      4.833460      0.513522
  C      -2.448248      4.596779      1.211170
  C      -1.428497      3.822524      0.606268
  C      -0.251721      3.579578      1.282635
  C      -0.056465      4.080902      2.591449
  C      -1.037752      4.828965      3.208685
  C      -2.251444      5.115528      2.532767
  C      -6.779504      1.270991      5.776942
  C      -6.707854      0.186534      4.675825
  C      -7.894814      0.189396      3.757020
  N      -7.958171      1.206777      2.897404
  C      -8.991816      1.248414      2.015915
  N      -9.959956      0.367423      1.896926
  C      -9.929160     -0.687381      2.764574
  C     -10.931634     -1.682175      2.667360
  C     -10.917845     -2.761247      3.525810
  C      -9.913540     -2.884559      4.515922
  C      -8.922847     -1.932774      4.631351
  C      -8.901141     -0.816952      3.755905
  H      -2.780862      2.101906      2.472632
  H      -1.285717      1.293560      2.936362
  H      -3.355614     -0.555331      3.613855
  H      -2.241110     -0.692464      2.263797
  H      -5.079447      2.105091     -0.669078
  H      -8.018209     -1.395622     -0.228284
  H      -8.128885     -3.421476      1.232447
  H      -6.327696     -3.863644      2.891590
  H      -4.443335     -2.296449      3.146082
  H      -5.234845      5.569437      4.804319
  H      -4.571551      6.427698      6.210585
  H      -3.662659      7.530704      4.360191
  H      -2.316956      6.510661      4.900610
  H      -5.416919      5.807181      0.564950
  H      -1.609401      3.438052     -0.397827
  H       0.537059      2.993029      0.808632
  H       0.880808      3.876530      3.111476
  H      -0.873258      5.213968      4.215381
  H      -7.411306      0.919116      6.608344
  H      -7.262894      2.168098      5.363315
  H      -5.827049      0.415693      4.061324
  H      -6.540172     -0.799890      5.124008
  H      -8.995671      2.101444      1.330994
  H     -11.698983     -1.565135      1.901390
  H     -11.687523     -3.530439      3.446097
  H      -9.925184     -3.742474      5.189567
  H      -8.150726     -2.042499      5.392808
  N      -5.082938      2.944026      3.790092
  N      -5.867276      3.104728      2.762638
  H      -5.363104      3.206994      1.873916
  H      -6.699544      2.432551      2.753158
90
Coordinates from ORCA-job orca E -6141.102993088060
  N      -2.610452      1.689215      4.506823
  Mo     -4.151009      2.674653      5.241667
  N      -5.451140      1.599650      6.269940
  C      -5.161825      1.206897      7.646796
  C      -3.657733      1.066953      7.813728
  N      -2.980822      2.210982      7.150685
  C      -1.601855      1.867000      6.717408
  C      -1.665259      1.061190      5.431226
  C      -3.021304      3.447870      7.972967
  C      -2.925830      4.661533      7.062449
  N      -3.845316      4.502062      5.931874
  H      -0.659599      1.035127      4.976812
  H      -1.942964      0.008390      5.633528
  H      -1.073231      2.810141      6.522585
  H      -1.066326      1.329856      7.518437
  H      -3.192962      5.561813      7.642417
  H      -1.885259      4.812421      6.716160
  H      -3.989195      3.466052      8.492045
  H      -2.219241      3.436277      8.730186
  H      -5.639954      0.240375      7.880536
  H      -5.575854      1.943153      8.362323
  H      -3.324664      0.151921      7.305654
  H      -3.361586      1.002229      8.874317
  C      -2.383362      1.339937      3.105440
  C      -3.007695     -0.015504      2.699009
  C      -4.135456      0.091645      1.698163
  N      -4.146118      1.148943      0.898052
  C      -5.150679      1.247510     -0.014862
  N      -6.161094      0.420323     -0.183986
  C      -6.176681     -0.681342      0.626228
  C      -7.242825     -1.606031      0.503481
  C      -7.276996     -2.731268      1.299592
  C      -6.249038     -2.979012      2.239192
  C      -5.202983     -2.090529      2.385034
  C      -5.147167     -0.915557      1.593391
  C      -4.312493      5.761905      5.364414
  C      -3.298333      6.485911      4.444055
  C      -3.287406      5.894533      3.062877
  N      -4.380794      6.128324      2.342728
  C      -4.449322      5.579825      1.104497
  N      -3.546136      4.823002      0.508206
  C      -2.399334      4.589790      1.215818
  C      -1.370873      3.820175      0.618962
  C      -0.200077      3.579967      1.306245
  C      -0.019015      4.079782      2.617876
  C      -1.007928      4.824712      3.226539
  C      -2.215812      5.109223      2.539281
  C      -6.786181      1.264345      5.771810
  C      -6.717071      0.173552      4.676302
  C      -7.910077      0.173232      3.765120
  N      -7.979701      1.189928      2.905254
  C      -9.021657      1.232926      2.033484
  N      -9.993595      0.354804      1.925479
  C      -9.956318     -0.699782      2.793173
  C     -10.963608     -1.690889      2.707787
  C     -10.944346     -2.769675      3.566435
  C      -9.928446     -2.896855      4.544241
  C      -8.933228     -1.948457      4.648372
  C      -8.917667     -0.832256      3.773089
  H      -2.801588      2.121159      2.462299
  H      -1.297800      1.324552      2.919694
  H      -3.359403     -0.537958      3.599954
  H      -2.240349     -0.671769      2.253592
  H      -5.107136      2.128123     -0.664512
  H      -8.022304     -1.394937     -0.229440
  H      -8.105291     -3.436205      1.211131
  H      -6.289330     -3.879452      2.853846
  H      -4.416578     -2.298291      3.111298
  H      -5.227988      5.581872      4.785969
  H      -4.571769      6.442817      6.194218
  H      -3.634331      7.528806      4.347669
  H      -2.303755      6.500325      4.906282
  H      -5.366702      5.789987      0.544827
  H      -1.540695      3.437077     -0.387681
  H       0.595038      2.996294      0.839310
  H       0.913623      3.876855      3.146759
  H      -0.854246      5.208261      4.235518
  H      -7.417810      0.916847      6.605253
  H      -7.270528      2.158712      5.353622
  H      -5.839795      0.399768      4.055679
  H      -6.546921     -0.810396      5.128811
  H      -9.029992      2.085128      1.347658
  H     -11.739193     -1.570728      1.950630
  H     -11.718516     -3.535390      3.496777
  H      -9.934953     -3.754819      5.217902
  H      -8.152723     -2.061055      5.400756
  N      -5.103902      2.952476      3.789490
  N      -5.903741      3.103868      2.773292
  H      -5.416941      3.235495      1.879865
  H      -6.725297      2.419124      2.767839
90
Coordinates from ORCA-job orca E -6141.103121986011
  N      -2.620034      1.704203      4.497234
  Mo     -4.160617      2.684578      5.237104
  N      -5.456800      1.604822      6.266651
  C      -5.164330      1.203735      7.640397
  C      -3.659605      1.068072      7.803525
  N      -2.989197      2.217536      7.143821
  C      -1.609253      1.881004      6.707402
  C      -1.670479      1.078700      5.419027
  C      -3.034107      3.450558      7.971257
  C      -2.938542      4.668004      7.065766
  N      -3.851273      4.509001      5.930072
  H      -0.665235      1.059855      4.963209
  H      -1.941996      0.023656      5.617827
  H      -1.084547      2.826714      6.514494
  H      -1.070392      1.343672      7.506018
  H      -3.210729      5.565732      7.647286
  H      -1.896936      4.822514      6.724607
  H      -4.003204      3.464426      8.488163
  H      -2.233655      3.437892      8.730140
  H      -5.638390      0.234102      7.869377
  H      -5.579912      1.933964      8.361141
  H      -3.324582      0.156579      7.290363
  H      -3.360582      0.999097      8.863038
  C      -2.396969      1.351728      3.096218
  C      -3.025137     -0.003123      2.694015
  C      -4.147247      0.105226      1.686410
  N      -4.148917      1.158914      0.881622
  C      -5.149554      1.259754     -0.034729
  N      -6.164373      0.437663     -0.203861
  C      -6.187025     -0.662213      0.608620
  C      -7.256353     -1.583059      0.484501
  C      -7.297583     -2.706268      1.283086
  C      -6.273595     -2.956024      2.226513
  C      -5.224743     -2.071253      2.373877
  C      -5.162050     -0.898212      1.580039
  C      -4.308552      5.769186      5.354745
  C      -3.282838      6.481252      4.439159
  C      -3.263132      5.882419      3.061144
  N      -4.351264      6.113896      2.332308
  C      -4.404613      5.572810      1.090087
  N      -3.491339      4.826085      0.497169
  C      -2.353301      4.589203      1.216835
  C      -1.318182      3.822833      0.627582
  C      -0.157207      3.575058      1.328385
  C       0.007523      4.065063      2.645996
  C      -0.987223      4.808673      3.246583
  C      -2.185729      5.099930      2.545795
  C      -6.789912      1.263039      5.769473
  C      -6.718452      0.164764      4.681151
  C      -7.915337      0.155043      3.775540
  N      -7.997923      1.172703      2.918118
  C      -9.045919      1.210136      2.053388
  N     -10.012438      0.325691      1.950231
  C      -9.962172     -0.729961      2.815748
  C     -10.964213     -1.726872      2.736633
  C     -10.933321     -2.805814      3.594646
  C      -9.910192     -2.927678      4.565494
  C      -8.919340     -1.974016      4.662914
  C      -8.915986     -0.857251      3.788228
  H      -2.817175      2.131984      2.453148
  H      -1.312082      1.335025      2.906802
  H      -3.386797     -0.517217      3.596044
  H      -2.259064     -0.667440      2.258847
  H      -5.097710      2.135829     -0.689720
  H      -8.032573     -1.370958     -0.251489
  H      -8.128140     -3.408134      1.192688
  H      -6.319187     -3.855107      2.842676
  H      -4.441033     -2.280259      3.102674
  H      -5.220754      5.592067      4.770192
  H      -4.569235      6.454778      6.180047
  H      -3.609420      7.526360      4.333909
  H      -2.292082      6.491806      4.909478
  H      -5.315389      5.785551      0.520730
  H      -1.475723      3.447899     -0.384001
  H       0.642876      2.993227      0.867831
  H       0.932352      3.855759      3.185868
  H      -0.846406      5.183619      4.260563
  H      -7.422259      0.919583      6.604045
  H      -7.275926      2.153295      5.344753
  H      -5.844273      0.391602      4.056012
  H      -6.542614     -0.815328      5.139724
  H      -9.064154      2.063268      1.369124
  H     -11.745362     -1.610462      1.984705
  H     -11.703744     -3.575668      3.530278
  H      -9.907219     -3.785841      5.238807
  H      -8.132856     -2.082673      5.409553
  N      -5.121912      2.964600      3.788939
  N      -5.939586      3.105683      2.786514
  H      -5.476651      3.280335      1.888434
  H      -6.750701      2.408520      2.780893
90
Coordinates from ORCA-job orca E -6141.103232543727
  N      -2.632719      1.721864      4.483630
  Mo     -4.176716      2.691883      5.231434
  N      -5.462821      1.601497      6.263560
  C      -5.161861      1.189832      7.632421
  C      -3.655517      1.066320      7.789537
  N      -2.998173      2.224963      7.132713
  C      -1.616402      1.902843      6.691163
  C      -1.674713      1.103417      5.401255
  C      -3.053368      3.453501      7.965878
  C      -2.963653      4.676326      7.067915
  N      -3.868678      4.515522      5.926658
  H      -0.670756      1.094881      4.942173
  H      -1.935827      0.045326      5.597984
  H      -1.100837      2.853790      6.499172
  H      -1.070314      1.368248      7.486679
  H      -3.247485      5.568303      7.652898
  H      -1.921829      4.842975      6.732915
  H      -4.024524      3.457747      8.479049
  H      -2.255681      3.442255      8.727660
  H      -5.626055      0.213578      7.853451
  H      -5.582368      1.908966      8.361357
  H      -3.314325      0.160358      7.270700
  H      -3.351374      0.995095      8.847466
  C      -2.412848      1.370838      3.082219
  C      -3.041645      0.016138      2.680707
  C      -4.162052      0.125579      1.671140
  N      -4.160706      1.179342      0.866642
  C      -5.160786      1.283716     -0.049496
  N      -6.179181      0.465375     -0.217783
  C      -6.203871     -0.635493      0.593170
  C      -7.274816     -1.554444      0.468020
  C      -7.316546     -2.679957      1.263343
  C      -6.292328     -2.933548      2.205586
  C      -5.242369     -2.050422      2.354569
  C      -5.178723     -0.875526      1.563504
  C      -4.309493      5.776706      5.339743
  C      -3.268167      6.473882      4.431387
  C      -3.232496      5.865750      3.057498
  N      -4.314889      6.087079      2.316902
  C      -4.349741      5.544864      1.074386
  N      -3.423353      4.806663      0.491640
  C      -2.292430      4.577988      1.224324
  C      -1.244949      3.819289      0.646981
  C      -0.091869      3.577225      1.362449
  C       0.052845      4.066120      2.683049
  C      -0.953261      4.804200      3.271394
  C      -2.144543      5.089018      2.555662
  C      -6.794826      1.250219      5.770105
  C      -6.720590      0.146733      4.687068
  C      -7.920893      0.129088      3.786118
  N      -8.010866      1.145242      2.927754
  C      -9.064105      1.178805      2.069041
  N     -10.030278      0.293006      1.974548
  C      -9.973142     -0.760491      2.842458
  C     -10.977030     -1.756522      2.775383
  C     -10.939995     -2.832686      3.636658
  C      -9.907331     -2.953584      4.597645
  C      -8.914645     -2.000640      4.683323
  C      -8.919070     -0.885487      3.806616
  H      -2.836803      2.150903      2.441334
  H      -1.328679      1.356067      2.888984
  H      -3.406242     -0.496208      3.582646
  H      -2.275532     -0.649765      2.248078
  H      -5.105691      2.159122     -0.705015
  H      -8.051218     -1.339926     -0.267114
  H      -8.147206     -3.381276      1.170409
  H      -6.338540     -3.834470      2.819051
  H      -4.457869     -2.261950      3.081815
  H      -5.216668      5.602987      4.746494
  H      -4.573163      6.468926      6.158516
  H      -3.586674      7.520283      4.313294
  H      -2.283164      6.483131      4.913619
  H      -5.257230      5.747168      0.495654
  H      -1.387109      3.444391     -0.366898
  H       0.717837      3.001070      0.911618
  H       0.971552      3.860727      3.234798
  H      -0.827339      5.178027      4.287752
  H      -7.424624      0.908946      6.607564
  H      -7.285373      2.136040      5.341668
  H      -5.849902      0.375784      4.057881
  H      -6.538200     -0.830457      5.149405
  H      -9.087669      2.030353      1.382780
  H     -11.764878     -1.641048      2.030300
  H     -11.713083     -3.600811      3.582996
  H      -9.899134     -3.809944      5.273223
  H      -8.121495     -2.108272      5.423101
  N      -5.146137      2.971247      3.788016
  N      -5.979575      3.103255      2.797701
  H      -5.537982      3.308009      1.895518
  H      -6.779032      2.393579      2.793039
90
Coordinates from ORCA-job orca E -6141.103301974577
  N      -2.642251      1.739307      4.467405
  Mo     -4.186883      2.699461      5.225534
  N      -5.468096      1.603009      6.257731
  C      -5.161389      1.180325      7.622034
  C      -3.654231      1.062459      7.773983
  N      -3.004471      2.228096      7.122308
  C      -1.621991      1.916789      6.674855
  C      -1.678075      1.123546      5.380844
  C      -3.065993      3.451650      7.962456
  C      -2.978124      4.679370      7.071297
  N      -3.876844      4.521081      5.924835
  H      -0.674810      1.124315      4.919951
  H      -1.931078      0.062440      5.572078
  H      -1.113107      2.871926      6.485640
  H      -1.069918      1.382234      7.466291
  H      -3.267729      5.567740      7.659040
  H      -1.935460      4.851948      6.741834
  H      -4.038449      3.448745      8.473141
  H      -2.270174      3.438957      8.726209
  H      -5.620141      0.199781      7.835411
  H      -5.583957      1.890771      8.358248
  H      -3.309911      0.161314      7.248879
  H      -3.346620      0.986429      8.830602
  C      -2.428248      1.388106      3.065604
  C      -3.054818      0.031528      2.667713
  C      -4.178470      0.136785      1.661572
  N      -4.185760      1.192306      0.859512
  C      -5.190218      1.293793     -0.051825
  N      -6.205901      0.471193     -0.216907
  C      -6.220393     -0.632656      0.590284
  C      -7.286224     -1.557825      0.467119
  C      -7.317169     -2.686329      1.258782
  C      -6.286779     -2.937229      2.194972
  C      -5.241787     -2.048021      2.342128
  C      -5.189584     -0.869851      1.555149
  C      -4.306232      5.783453      5.331558
  C      -3.254799      6.469771      4.428311
  C      -3.207348      5.857808      3.055915
  N      -4.282880      6.076316      2.304373
  C      -4.298532      5.542968      1.057355
  N      -3.358845      4.818930      0.478914
  C      -2.238078      4.587451      1.225371
  C      -1.180687      3.835137      0.657363
  C      -0.040530      3.583887      1.390182
  C       0.082213      4.059409      2.717976
  C      -0.932067      4.794414      3.295998
  C      -2.111322      5.086486      2.563636
  C      -6.800211      1.248946      5.767222
  C      -6.728339      0.137884      4.691870
  C      -7.931348      0.114820      3.794952
  N      -8.024794      1.128660      2.934435
  C      -9.080300      1.158926      2.078233
  N     -10.045678      0.271936      1.988933
  C      -9.985315     -0.779136      2.859670
  C     -10.988488     -1.776168      2.798148
  C     -10.948003     -2.849990      3.662193
  C      -9.912406     -2.967500      4.620433
  C      -8.919980     -2.013756      4.700336
  C      -8.928025     -0.900999      3.820678
  H      -2.858123      2.166757      2.426798
  H      -1.345097      1.376200      2.866735
  H      -3.415818     -0.480711      3.571243
  H      -2.288127     -0.633239      2.234214
  H      -5.142605      2.171048     -0.705455
  H      -8.067673     -1.345752     -0.263365
  H      -8.144033     -3.392349      1.167446
  H      -6.324674     -3.840518      2.805533
  H      -4.452366     -2.256523      3.064911
  H      -5.211332      5.613877      4.733882
  H      -4.569780      6.479677      6.146972
  H      -3.567136      7.517343      4.302716
  H      -2.273387      6.477668      4.917902
  H      -5.200881      5.742451      0.469496
  H      -1.305655      3.469638     -0.362274
  H       0.776338      3.011325      0.947745
  H       0.990973      3.846794      3.283318
  H      -0.822748      5.157634      4.318113
  H      -7.429452      0.913858      6.607635
  H      -7.290582      2.132594      5.334253
  H      -5.859606      0.362603      4.058161
  H      -6.543931     -0.836029      5.160278
  H      -9.106301      2.008652      1.389894
  H     -11.778334     -1.663379      2.054770
  H     -11.720469     -3.618990      3.612586
  H      -9.901530     -3.822206      5.298065
  H      -8.124238     -2.119517      5.437581
  N      -5.164718      2.983888      3.787975
  N      -6.014871      3.108998      2.811530
  H      -5.593054      3.344454      1.908121
  H      -6.797552      2.380052      2.804101
90
Coordinates from ORCA-job orca E -6141.103346690848
  N      -2.648699      1.752536      4.454113
  Mo     -4.197580      2.698791      5.220089
  N      -5.470774      1.593516      6.252799
  C      -5.157429      1.160847      7.612652
  C      -3.648923      1.054534      7.760584
  N      -3.010489      2.228341      7.112359
  C      -1.626450      1.930351      6.660676
  C      -1.678925      1.140635      5.364192
  C      -3.082066      3.448367      7.956963
  C      -2.998021      4.680204      7.071095
  N      -3.889996      4.520536      5.919588
  H      -0.676105      1.150139      4.902277
  H      -1.923912      0.076972      5.551953
  H      -1.126025      2.890207      6.472813
  H      -1.067691      1.398144      7.449033
  H      -3.296727      5.564343      7.660803
  H      -1.954910      4.861610      6.747429
  H      -4.056888      3.437361      8.463015
  H      -2.289745      3.437074      8.724400
  H      -5.607253      0.174362      7.817659
  H      -5.584993      1.860736      8.356042
  H      -3.298311      0.158553      7.230807
  H      -3.337875      0.976600      8.816073
  C      -2.437810      1.405131      3.051118
  C      -3.061733      0.047331      2.652809
  C      -4.191565      0.150657      1.653881
  N      -4.209274      1.209992      0.857133
  C      -5.220043      1.310674     -0.047237
  N      -6.232716      0.483920     -0.210065
  C      -6.237407     -0.623095      0.592747
  C      -7.300053     -1.552318      0.472591
  C      -7.321032     -2.684158      1.259814
  C      -6.284088     -2.934138      2.189075
  C      -5.242020     -2.040931      2.333356
  C      -5.199482     -0.859684      1.550233
  C      -4.308423      5.783153      5.317812
  C      -3.248244      6.461663      4.420022
  C      -3.185464      5.840583      3.051996
  N      -4.256836      6.045591      2.290458
  C      -4.254973      5.510577      1.043872
  N      -3.298804      4.803319      0.472265
  C      -2.183284      4.583597      1.229851
  C      -1.109260      3.848808      0.670223
  C       0.024055      3.605495      1.416411
  C       0.124415      4.074109      2.748656
  C      -0.904526      4.796051      3.317253
  C      -2.077462      5.079158      2.571463
  C      -6.804794      1.239884      5.766551
  C      -6.736839      0.128457      4.691503
  C      -7.943464      0.103099      3.799502
  N      -8.040259      1.114723      2.936532
  C      -9.098364      1.141480      2.083076
  N     -10.064198      0.254255      2.000500
  C     -10.001223     -0.793619      2.875013
  C     -11.006112     -1.789462      2.822407
  C     -10.962805     -2.859851      3.690729
  C      -9.921953     -2.975626      4.643530
  C      -8.927796     -2.022915      4.714719
  C      -8.939611     -0.912973      3.831588
  H      -2.871560      2.184175      2.415541
  H      -1.355327      1.396261      2.848236
  H      -3.413561     -0.470147      3.556936
  H      -2.294597     -0.611638      2.211002
  H      -5.179960      2.190313     -0.698261
  H      -8.087012     -1.341014     -0.252247
  H      -8.144763     -3.394128      1.170160
  H      -6.314571     -3.839924      2.796437
  H      -4.447439     -2.248206      3.050859
  H      -5.209853      5.615428      4.714172
  H      -4.575204      6.483106      6.129065
  H      -3.559999      7.508031      4.282421
  H      -2.271401      6.475154      4.918583
  H      -5.154026      5.699741      0.447334
  H      -1.215208      3.489912     -0.353979
  H       0.853364      3.045401      0.981080
  H       1.028339      3.868307      3.324329
  H      -0.811017      5.156712      4.341863
  H      -7.431801      0.906415      6.609345
  H      -7.295447      2.123987      5.334908
  H      -5.871583      0.354346      4.053542
  H      -6.548667     -0.844970      5.159512
  H      -9.126400      1.988326      1.391266
  H     -11.799781     -1.678353      2.082787
  H     -11.737474     -3.627186      3.648756
  H      -9.908969     -3.827912      5.324242
  H      -8.128520     -2.127218      5.448425
  N      -5.180869      2.985131      3.787068
  N      -6.042638      3.107312      2.820967
  H      -5.644652      3.392199      1.920708
  H      -6.819978      2.372186      2.805792
90
Coordinates from ORCA-job orca E -6141.103383807018
  N      -2.662169      1.760876      4.438537
  Mo     -4.208954      2.702187      5.214294
  N      -5.473469      1.592225      6.252672
  C      -5.151241      1.151405      7.607706
  C      -3.641262      1.053179      7.747918
  N      -3.012205      2.231700      7.099478
  C      -1.629238      1.941546      6.639738
  C      -1.684378      1.153189      5.342449
  C      -3.085440      3.449505      7.947428
  C      -3.008437      4.684416      7.064989
  N      -3.900000      4.522573      5.914216
  H      -0.683823      1.168674      4.875838
  H      -1.922697      0.087987      5.529923
  H      -1.134986      2.904068      6.449814
  H      -1.062755      1.411505      7.423997
  H      -3.311259      5.565658      7.656901
  H      -1.966515      4.871721      6.740837
  H      -4.058944      3.433485      8.455810
  H      -2.291172      3.438864      8.712764
  H      -5.594077      0.160661      7.807361
  H      -5.579799      1.843211      8.357962
  H      -3.288655      0.160415      7.214139
  H      -3.324291      0.974179      8.801490
  C      -2.456806      1.416574      3.033895
  C      -3.077704      0.057163      2.636527
  C      -4.214319      0.159963      1.645855
  N      -4.240786      1.223489      0.854938
  C      -5.255925      1.323886     -0.043930
  N      -6.264437      0.492683     -0.207865
  C      -6.261281     -0.617804      0.590046
  C      -7.320803     -1.550444      0.470230
  C      -7.335521     -2.684375      1.254500
  C      -6.294769     -2.933497      2.179592
  C      -5.254725     -2.037680      2.322365
  C      -5.218778     -0.853986      1.542614
  C      -4.314529      5.782881      5.305185
  C      -3.251166      6.453948      4.406092
  C      -3.169822      5.818629      3.044936
  N      -4.234579      6.002745      2.268652
  C      -4.206028      5.464501      1.023494
  N      -3.228087      4.777043      0.464812
  C      -2.121451      4.574014      1.239674
  C      -1.026340      3.856978      0.697399
  C       0.096264      3.627084      1.463801
  C       0.166235      4.094106      2.798350
  C      -0.881740      4.802272      3.348911
  C      -2.045113      5.070262      2.583103
  C      -6.808613      1.235635      5.772045
  C      -6.741781      0.128310      4.692921
  C      -7.952955      0.100320      3.807517
  N      -8.059416      1.114256      2.948286
  C      -9.122212      1.138285      2.100846
  N     -10.084272      0.246934      2.021069
  C     -10.011451     -0.803441      2.891692
  C     -11.011846     -1.803759      2.841790
  C     -10.957992     -2.876854      3.706136
  C      -9.910857     -2.991062      4.651971
  C      -8.920995     -2.033775      4.720612
  C      -8.943731     -0.920801      3.841630
  H      -2.895659      2.195255      2.401347
  H      -1.375131      1.410746      2.825897
  H      -3.419141     -0.464798      3.541929
  H      -2.311191     -0.596452      2.185740
  H      -5.222872      2.206743     -0.690915
  H      -8.111123     -1.339672     -0.250957
  H      -8.157180     -3.396826      1.165875
  H      -6.320447     -3.840846      2.784691
  H      -4.457147     -2.244156      3.036643
  H      -5.215032      5.612981      4.700830
  H      -4.581556      6.487978      6.111905
  H      -3.566957      7.497006      4.253087
  H      -2.278259      6.478631      4.911568
  H      -5.099330      5.638096      0.413546
  H      -1.105994      3.501267     -0.330393
  H       0.941040      3.079757      1.042437
  H       1.062299      3.899391      3.389812
  H      -0.810778      5.164138      4.374731
  H      -7.431178      0.898825      6.616864
  H      -7.303224      2.119583      5.344621
  H      -5.881536      0.361524      4.050933
  H      -6.546284     -0.845907      5.156101
  H      -9.157843      1.986393      1.411034
  H     -11.810546     -1.694122      2.107512
  H     -11.729243     -3.647557      3.666097
  H      -9.889771     -3.845697      5.329382
  H      -8.116924     -2.136811      5.449130
  N      -5.205861      2.992231      3.790052
  N      -6.083136      3.113550      2.839061
  H      -5.704846      3.417545      1.937442
  H      -6.854859      2.372936      2.827692
90
Coordinates from ORCA-job orca E -6141.103430588486
  N      -2.674488      1.774814      4.424861
  Mo     -4.223101      2.706644      5.209684
  N      -5.480254      1.588584      6.248692
  C      -5.150877      1.137589      7.598500
  C      -3.639905      1.048912      7.734261
  N      -3.019496      2.233581      7.089424
  C      -1.636190      1.953576      6.624238
  C      -1.690057      1.170182      5.323882
  C      -3.097686      3.447822      7.942248
  C      -3.025375      4.686868      7.065086
  N      -3.913267      4.525679      5.911797
  H      -0.690781      1.193763      4.854966
  H      -1.921214      0.102737      5.507900
  H      -1.148827      2.919941      6.436359
  H      -1.063447      1.424659      7.404793
  H      -3.335006      5.564048      7.659716
  H      -1.983617      4.881415      6.744579
  H      -4.071435      3.425627      8.450113
  H      -2.303880      3.436770      8.708046
  H      -5.585857      0.141505      7.789000
  H      -5.583059      1.818717      8.356457
  H      -3.282592      0.160855      7.195725
  H      -3.319595      0.967647      8.786655
  C      -2.469266      1.436901      3.018471
  C      -3.083426      0.075368      2.618645
  C      -4.228324      0.176188      1.638071
  N      -4.265193      1.242562      0.851660
  C      -5.285652      1.340054     -0.041095
  N      -6.289598      0.503133     -0.203953
  C      -6.276198     -0.610014      0.590203
  C      -7.330278     -1.549024      0.471553
  C      -7.334896     -2.685143      1.252783
  C      -6.289501     -2.930138      2.173785
  C      -5.253889     -2.028818      2.314290
  C      -5.227815     -0.843104      1.537093
  C      -4.314496      5.786523      5.294529
  C      -3.242045      6.446751      4.399347
  C      -3.147280      5.806753      3.040802
  N      -4.204768      5.985268      2.253353
  C      -4.156565      5.454846      1.005226
  N      -3.166539      4.779019      0.454150
  C      -2.070531      4.574617      1.243352
  C      -0.967665      3.859513      0.714306
  C       0.143025      3.624759      1.496537
  C       0.193062      4.084635      2.834506
  C      -0.862585      4.791062      3.372372
  C      -2.014336      5.063429      2.590692
  C      -6.814446      1.226261      5.769456
  C      -6.744098      0.121224      4.688148
  C      -7.958696      0.087867      3.807551
  N      -8.071519      1.099123      2.945987
  C      -9.139555      1.118857      2.104915
  N     -10.101535      0.226599      2.034246
  C     -10.022598     -0.820792      2.907958
  C     -11.024153     -1.820515      2.869501
  C     -10.964712     -2.890081      3.737934
  C      -9.910071     -3.001703      4.675792
  C      -8.919284     -2.044530      4.733644
  C      -8.948204     -0.934547      3.850907
  H      -2.913201      2.215162      2.388700
  H      -1.387798      1.436616      2.808814
  H      -3.412045     -0.454296      3.524278
  H      -2.315983     -0.569267      2.156375
  H      -5.262476      2.226463     -0.683842
  H      -8.124655     -1.341462     -0.246236
  H      -8.151937     -3.403000      1.165120
  H      -6.307408     -3.839227      2.776686
  H      -4.451981     -2.232604      3.024616
  H      -5.213549      5.620807      4.686776
  H      -4.579933      6.496510      6.097639
  H      -3.553305      7.490011      4.237363
  H      -2.273403      6.472210      4.912861
  H      -5.045237      5.622878      0.386689
  H      -1.031835      3.507919     -0.316000
  H       0.993374      3.078070      1.085489
  H       1.079562      3.885305      3.438836
  H      -0.807690      5.147251      4.401096
  H      -7.433993      0.886506      6.615373
  H      -7.313357      2.108574      5.343686
  H      -5.887531      0.360753      4.043445
  H      -6.541546     -0.852949      5.148439
  H      -9.180617      1.964006      1.411949
  H     -11.828749     -1.713107      2.141244
  H     -11.737782     -3.659709      3.707349
  H      -9.884677     -3.853801      5.356404
  H      -8.110317     -2.144866      5.457208
  N      -5.227845      3.004095      3.790959
  N      -6.115876      3.128485      2.851199
  H      -5.756865      3.474353      1.957321
  H      -6.871516      2.372914      2.826112
90
Coordinates from ORCA-job orca E -6141.103499515816
  N      -2.690984      1.783626      4.408123
  Mo     -4.237003      2.710356      5.203442
  N      -5.486710      1.587750      6.246546
  C      -5.148987      1.130832      7.592019
  C      -3.637189      1.047307      7.719983
  N      -3.023906      2.235815      7.076324
  C      -1.641845      1.962341      6.603562
  C      -1.698247      1.182430      5.300844
  C      -3.103620      3.447020      7.933217
  C      -3.036396      4.688718      7.059204
  N      -3.924212      4.528230      5.905967
  H      -0.701459      1.212983      4.827168
  H      -1.922617      0.113256      5.483250
  H      -1.159528      2.931282      6.415974
  H      -1.062749      1.434033      7.379878
  H      -3.348449      5.563443      7.656344
  H      -1.995297      4.887023      6.739093
  H      -4.075888      3.420234      8.443835
  H      -2.307782      3.435934      8.696884
  H      -5.578740      0.131731      7.778744
  H      -5.580240      1.805955      8.355947
  H      -3.278779      0.162335      7.177043
  H      -3.312204      0.963866      8.770802
  C      -2.488566      1.451299      2.999743
  C      -3.095331      0.087195      2.596986
  C      -4.251943      0.186414      1.629736
  N      -4.300723      1.255222      0.847231
  C      -5.328951      1.350340     -0.036621
  N      -6.327833      0.507015     -0.196957
  C      -6.301834     -0.609244      0.592833
  C      -7.350558     -1.554633      0.477332
  C      -7.344283     -2.692259      1.256398
  C      -6.292265     -2.932910      2.170971
  C      -5.260966     -2.025982      2.307282
  C      -5.246315     -0.838384      1.532776
  C      -4.317613      5.788148      5.281954
  C      -3.238202      6.441143      4.391363
  C      -3.125060      5.792585      3.038236
  N      -4.175057      5.956651      2.237855
  C      -4.102353      5.430702      0.988839
  N      -3.096079      4.770446      0.449216
  C      -2.011025      4.573470      1.254742
  C      -0.896147      3.865212      0.742289
  C       0.203362      3.635010      1.541575
  C       0.230084      4.093253      2.880825
  C      -0.837621      4.793584      3.402485
  C      -1.979068      5.059988      2.603649
  C      -6.820353      1.219246      5.770899
  C      -6.746833      0.120426      4.683684
  C      -7.965370      0.082938      3.809067
  N      -8.087097      1.093669      2.948256
  C      -9.160493      1.109226      2.113986
  N     -10.119473      0.213251      2.048986
  C     -10.031279     -0.833905      2.922062
  C     -11.028331     -1.838272      2.888624
  C     -10.959009     -2.907971      3.756166
  C      -9.899199     -3.014619      4.688682
  C      -8.912598     -2.052886      4.741503
  C      -8.950955     -0.943154      3.858746
  H      -2.939825      2.228074      2.373341
  H      -1.407659      1.457947      2.787141
  H      -3.407505     -0.452059      3.502736
  H      -2.328010     -0.546833      2.120125
  H      -5.317110      2.240001     -0.675242
  H      -8.150225     -1.350201     -0.235449
  H      -8.157905     -3.414533      1.172684
  H      -6.301566     -3.843035      2.772472
  H      -4.453811     -2.227059      3.012466
  H      -5.214625      5.623750      4.670731
  H      -4.583509      6.502396      6.081174
  H      -3.549732      7.482575      4.217753
  H      -2.275071      6.473534      4.914778
  H      -4.985433      5.587549      0.359478
  H      -0.942859      3.513235     -0.288751
  H       1.062229      3.092193      1.143324
  H       1.107780      3.897330      3.498914
  H      -0.802033      5.148246      4.432470
  H      -7.434353      0.871845      6.617640
  H      -7.326236      2.100360      5.350689
  H      -5.894841      0.369413      4.036561
  H      -6.535759     -0.855044      5.137346
  H      -9.209829      1.954228      1.421434
  H     -11.837301     -1.734793      2.164688
  H     -11.728087     -3.681605      3.728604
  H      -9.865972     -3.866954      5.368661
  H      -8.099318     -2.149485      5.460703
  N      -5.252312      3.015760      3.793588
  N      -6.150548      3.147755      2.865377
  H      -5.809448      3.534046      1.981393
  H      -6.894769      2.382091      2.827229
90
Coordinates from ORCA-job orca E -6141.103568678913
  N      -2.707534      1.792273      4.391414
  Mo     -4.250785      2.714093      5.197166
  N      -5.493141      1.587114      6.244344
  C      -5.147134      1.124399      7.585439
  C      -3.634586      1.045851      7.705631
  N      -3.028258      2.238046      7.063172
  C      -1.647537      1.970921      6.582879
  C      -1.706581      1.194493      5.277810
  C      -3.109326      3.446219      7.924106
  C      -3.047079      4.690495      7.053174
  N      -3.934916      4.530805      5.900039
  H      -0.712344      1.231924      4.799401
  H      -1.924265      0.123654      5.458581
  H      -1.170153      2.942359      6.395622
  H      -1.062184      1.443204      7.354942
  H      -3.361377      5.562826      7.652796
  H      -2.006632      4.892363      6.733418
  H      -4.080058      3.414964      8.437537
  H      -2.311415      3.435055      8.685585
  H      -5.571806      0.122395      7.768414
  H      -5.577296      1.793610      8.355255
  H      -3.275207      0.163915      7.158335
  H      -3.304980      0.960248      8.754866
  C      -2.507867      1.465553      2.981062
  C      -3.107172      0.098939      2.575230
  C      -4.275477      0.196358      1.621570
  N      -4.336181      1.267426      0.842933
  C      -5.372134      1.359983     -0.031929
  N      -6.365851      0.510225     -0.189752
  C      -6.327214     -0.608989      0.595671
  C      -7.370492     -1.560778      0.483345
  C      -7.353330     -2.699738      1.260339
  C      -6.294758     -2.935854      2.168499
  C      -5.267852     -2.023293      2.300558
  C      -5.264638     -0.833974      1.528682
  C      -4.320450      5.789731      5.269318
  C      -3.234177      6.435454      4.383341
  C      -3.102923      5.778336      3.035951
  N      -4.145307      5.927895      2.223016
  C      -4.048502      5.406655      0.973483
  N      -3.026536      4.762037      0.445386
  C      -1.952518      4.572357      1.266765
  C      -0.826232      3.870727      0.770828
  C       0.262082      3.644984      1.586630
  C       0.266025      4.101666      2.926727
  C      -0.813202      4.796025      3.432278
  C      -1.944318      5.056545      2.616803
  C      -6.826159      1.212429      5.772196
  C      -6.749459      0.120033      4.678955
  C      -7.971844      0.078425      3.810279
  N      -8.102428      1.088582      2.950258
  C      -9.181103      1.099943      2.122806
  N     -10.137029      0.200256      2.063411
  C     -10.039611     -0.846628      2.935798
  C     -11.032045     -1.855681      2.907224
  C     -10.952848     -2.925498      3.773781
  C      -9.888027     -3.027087      4.701054
  C      -8.905723     -2.060755      4.748990
  C      -8.953472     -0.951319      3.866255
  H      -2.966389      2.240778      2.358015
  H      -1.427547      1.479151      2.765653
  H      -3.402626     -0.449845      3.480822
  H      -2.340270     -0.524270      2.083710
  H      -5.371695      2.252768     -0.666358
  H      -8.175390     -1.359617     -0.224443
  H      -8.163488     -3.426429      1.180668
  H      -6.295450     -3.846877      2.768682
  H      -4.455507     -2.221533      3.000615
  H      -5.215452      5.626684      4.654682
  H      -4.586678      6.508247      6.064641
  H      -3.545832      7.474970      4.198113
  H      -2.276625      6.474844      4.916444
  H      -4.925922      5.552237      0.333622
  H      -0.855962      3.518235     -0.260583
  H       1.129010      3.105850      1.201069
  H       1.134878      3.909054      3.558156
  H      -0.796581      5.149134      4.463160
  H      -7.434547      0.857276      6.619653
  H      -7.339020      2.092304      5.357655
  H      -5.902089      0.378554      4.029559
  H      -6.529890     -0.856702      5.125805
  H      -9.238718      1.944775      1.430738
  H     -11.845276     -1.756200      2.187548
  H     -11.717807     -3.703198      3.749068
  H      -9.846967     -3.879648      5.380327
  H      -8.088230     -2.153564      5.463872
  N      -5.276535      3.027541      3.796307
  N      -6.184637      3.167293      2.879651
  H      -5.861718      3.593279      2.007451
  H      -6.917477      2.392156      2.827677
90
Coordinates from ORCA-job orca E -6141.103640202028
  N      -2.724700      1.800807      4.374145
  Mo     -4.264736      2.718081      5.190543
  N      -5.499659      1.587028      6.242111
  C      -5.145235      1.118889      7.578803
  C      -3.632017      1.044964      7.690914
  N      -3.032422      2.240513      7.049410
  C      -1.653287      1.979206      6.561358
  C      -1.715550      1.206182      5.253985
  C      -3.114316      3.445734      7.914269
  C      -3.057000      4.692410      7.046172
  N      -3.945387      4.533670      5.893490
  H      -0.724031      1.250139      4.770653
  H      -1.926875      0.133810      5.433231
  H      -1.180528      2.952940      6.374314
  H      -1.061740      1.451963      7.329065
  H      -3.372997      5.562529      7.648280
  H      -2.017268      4.897375      6.726380
  H      -4.083320      3.410315      8.430855
  H      -2.314085      3.434436      8.673288
  H      -5.565048      0.114179      7.758351
  H      -5.573879      1.782503      8.354397
  H      -3.272033      0.165896      7.139336
  H      -3.297668      0.957278      8.738507
  C      -2.527908      1.480048      2.961719
  C      -3.119688      0.111104      2.552233
  C      -4.300451      0.206821      1.613374
  N      -4.373741      1.280224      0.838946
  C      -5.417625      1.369916     -0.026560
  N      -6.405762      0.513360     -0.181939
  C      -6.353864     -0.608852      0.598799
  C      -7.391334     -1.567356      0.489685
  C      -7.362810     -2.707616      1.264483
  C      -6.297419     -2.938916      2.165875
  C      -5.275196     -2.020449      2.293544
  C      -5.284011     -0.829352      1.524586
  C      -4.323080      5.791532      5.256133
  C      -3.230015      6.430093      4.374920
  C      -3.080054      5.763420      3.034216
  N      -4.114885      5.896531      2.209041
  C      -3.994303      5.378361      0.960151
  N      -2.957128      4.748775      0.444612
  C      -1.893800      4.568623      1.281378
  C      -0.756498      3.873207      0.802731
  C       0.321173      3.654201      1.634423
  C       0.303135      4.111917      2.974094
  C      -0.787421      4.800493      3.462846
  C      -1.908737      5.052885      2.631242
  C      -6.832115      1.206225      5.773709
  C      -6.752302      0.121021      4.673788
  C      -7.978691      0.075189      3.811389
  N      -8.118946      1.085035      2.952714
  C      -9.203049      1.091858      2.132386
  N     -10.155225      0.187791      2.078253
  C     -10.047678     -0.859153      2.949334
  C     -11.034442     -1.873832      2.924923
  C     -10.944315     -2.944200      3.789731
  C      -9.874575     -3.040144      4.711836
  C      -8.897578     -2.068306      4.755544
  C      -8.955661     -0.958821      3.873426
  H      -2.993712      2.253777      2.342260
  H      -1.448222      1.500757      2.743554
  H      -3.397173     -0.447902      3.457213
  H      -2.353756     -0.500469      2.044904
  H      -5.429241      2.265998     -0.656294
  H      -8.201634     -1.369663     -0.212876
  H      -8.169344     -3.438875      1.189097
  H      -6.289072     -3.850818      2.764628
  H      -4.457469     -2.215695      2.988209
  H      -5.216020      5.629816      4.638037
  H      -4.589650      6.514300      6.047529
  H      -3.542207      7.467279      4.177251
  H      -2.278419      6.477522      4.917967
  H      -4.866297      5.510731      0.310170
  H      -0.770070      3.517994     -0.227980
  H       1.195887      3.118400      1.262056
  H       1.163515      3.924315      3.618444
  H      -0.789245      5.153870      4.493658
  H      -7.434461      0.842701      6.621797
  H      -7.352236      2.084903      5.365464
  H      -5.909884      0.389725      4.022128
  H      -6.523811     -0.857089      5.113083
  H      -9.269747      1.936806      1.441330
  H     -11.851918     -1.778790      2.209507
  H     -11.704202     -3.726796      3.767143
  H      -9.824836     -3.893288      5.389797
  H      -8.075836     -2.156927      5.466041
  N      -5.301214      3.039576      3.799070
  N      -6.218725      3.187633      2.893944
  H      -5.914244      3.652974      2.035527
  H      -6.940782      2.404201      2.827571
90
Coordinates from ORCA-job orca E -6141.103694241577
  N      -2.742717      1.807652      4.355601
  Mo     -4.278381      2.721687      5.183167
  N      -5.505815      1.587395      6.239869
  C      -5.142693      1.115130      7.572459
  C      -3.628851      1.044568      7.675679
  N      -3.035190      2.242674      7.034300
  C      -1.658229      1.985738      6.537861
  C      -1.725088      1.216000      5.228346
  C      -3.116257      3.445335      7.902681
  C      -3.064330      4.693973      7.036855
  N      -3.954951      4.536142      5.885952
  H      -0.736722      1.266040      4.739373
  H      -1.930435      0.142290      5.406470
  H      -1.189216      2.961277      6.350752
  H      -1.060672      1.458530      7.300968
  H      -3.380571      5.562334      7.641530
  H      -2.025623      4.901138      6.715572
  H      -4.082748      3.406381      8.423831
  H      -2.312618      3.433950      8.658075
  H      -5.558451      0.108348      7.750013
  H      -5.568574      1.774457      8.353315
  H      -3.269376      0.167784      7.120063
  H      -3.289410      0.954967      8.721520
  C      -2.548878      1.493732      2.940900
  C      -3.132314      0.122511      2.526447
  C      -4.327701      0.216059      1.605329
  N      -4.415987      1.291980      0.835869
  C      -5.468958      1.377838     -0.018832
  N      -6.450434      0.513295     -0.171193
  C      -6.383023     -0.611948      0.604333
  C      -7.413558     -1.578318      0.499116
  C      -7.371527     -2.720010      1.271227
  C      -6.298214     -2.945362      2.164670
  C      -5.281703     -2.019831      2.287240
  C      -5.304668     -0.826875      1.521608
  C      -4.326973      5.792682      5.242963
  C      -3.228563      6.425664      4.365856
  C      -3.058256      5.748384      3.032975
  N      -4.085212      5.861909      2.195242
  C      -3.939787      5.345339      0.948158
  N      -2.886923      4.731103      0.446963
  C      -1.834461      4.563508      1.299516
  C      -0.685766      3.874259      0.840021
  C       0.381084      3.664767      1.688002
  C       0.340550      4.126590      3.025791
  C      -0.761710      4.809463      3.495848
  C      -1.873267      5.050610      2.647743
  C      -6.837754      1.200515      5.775328
  C      -6.754975      0.124322      4.667048
  C      -7.985612      0.074943      3.811307
  N      -8.136189      1.085262      2.955124
  C      -9.225957      1.087986      2.142374
  N     -10.173896      0.179091      2.092712
  C     -10.055456     -0.868768      2.961255
  C     -11.035878     -1.889633      2.939986
  C     -10.934184     -2.961271      3.801938
  C      -9.859573     -3.051717      4.718836
  C      -8.888503     -2.073878      4.759222
  C      -8.957522     -0.963665      3.878766
  H      -3.022454      2.265945      2.325564
  H      -1.469877      1.522453      2.720076
  H      -3.388519     -0.448823      3.429945
  H      -2.368071     -0.475035      2.000312
  H      -5.494744      2.277535     -0.643016
  H      -8.230080     -1.384876     -0.197377
  H      -8.173560     -3.456752      1.200710
  H      -6.279075     -3.858239      2.761650
  H      -4.457707     -2.211394      2.975529
  H      -5.218244      5.631507      4.622265
  H      -4.593800      6.519274      6.030834
  H      -3.543499      7.459491      4.154755
  H      -2.283347      6.483935      4.918948
  H      -4.805988      5.462012      0.287668
  H      -0.683032      3.513750     -0.188843
  H       1.263762      3.132110      1.330242
  H       1.192331      3.946289      3.683444
  H      -0.782321      5.165239      4.525571
  H      -7.433327      0.826929      6.623668
  H      -7.365768      2.078254      5.374934
  H      -5.917817      0.404294      4.013388
  H      -6.517199     -0.855665      5.097156
  H      -9.302590      1.933981      1.453657
  H     -11.857646     -1.798841      2.228988
  H     -11.688465     -3.749190      3.780649
  H      -9.800644     -3.905951      5.394683
  H      -8.062550     -2.158363      5.465302
  N      -5.326549      3.051628      3.802316
  N      -6.253051      3.210351      2.908935
  H      -5.965777      3.712899      2.065852
  H      -6.965534      2.420373      2.827902
90
Coordinates from ORCA-job orca E -6141.103768002533
  N      -2.754234      1.803884      4.345234
  Mo     -4.283882      2.721256      5.179550
  N      -5.507395      1.588297      6.241522
  C      -5.139253      1.121311      7.574854
  C      -3.624855      1.046949      7.670707
  N      -3.031231      2.243610      7.025000
  C      -1.657291      1.983400      6.522431
  C      -1.731396      1.213842      5.213260
  C      -3.106233      3.447341      7.892543
  C      -3.059068      4.694860      7.025381
  N      -3.956837      4.535837      5.880416
  H      -0.746112      1.265252      4.718443
  H      -1.934884      0.140181      5.393262
  H      -1.186620      2.957880      6.333639
  H      -1.057901      1.454651      7.282922
  H      -3.370454      5.564256      7.631136
  H      -2.022110      4.900471      6.697740
  H      -4.068557      3.408910      8.420935
  H      -2.296899      3.437217      8.641928
  H      -5.556650      0.116615      7.759684
  H      -5.558705      1.785566      8.354887
  H      -3.270237      0.168553      7.114517
  H      -3.281228      0.957525      8.715328
  C      -2.561448      1.496736      2.928975
  C      -3.136163      0.123779      2.506798
  C      -4.345231      0.214222      1.602310
  N      -4.447788      1.292296      0.838076
  C      -5.509211      1.375373     -0.006371
  N      -6.485118      0.504051     -0.155272
  C      -6.403408     -0.623511      0.615170
  C      -7.427992     -1.596387      0.513729
  C      -7.373480     -2.740069      1.282099
  C      -6.292646     -2.960802      2.167532
  C      -5.281210     -2.029051      2.286033
  C      -5.316862     -0.833983      1.524104
  C      -4.334586      5.791320      5.238851
  C      -3.237483      6.427788      4.361779
  C      -3.054360      5.743698      3.034086
  N      -4.077295      5.843847      2.188885
  C      -3.919384      5.322408      0.945043
  N      -2.858671      4.712170      0.455328
  C      -1.811439      4.555297      1.316819
  C      -0.657179      3.866277      0.870273
  C       0.404515      3.666668      1.726875
  C       0.353427      4.139668      3.060458
  C      -0.754255      4.822636      3.517586
  C      -1.861811      5.052266      2.660847
  C      -6.838751      1.197806      5.777982
  C      -6.753609      0.133466      4.658484
  C      -7.986870      0.085470      3.806458
  N      -8.143276      1.098773      2.954641
  C      -9.236374      1.101501      2.146205
  N     -10.180987      0.188883      2.095469
  C     -10.055633     -0.862379      2.959153
  C     -11.031118     -1.888061      2.935586
  C     -10.922670     -2.962752      3.792957
  C      -9.846316     -3.051163      4.708145
  C      -8.879802     -2.068943      4.750166
  C      -8.955388     -0.956090      3.873711
  H      -3.042049      2.267840      2.317621
  H      -1.482860      1.534250      2.707293
  H      -3.372174     -0.462047      3.406420
  H      -2.372883     -0.457810      1.961975
  H      -5.547430      2.278051     -0.625360
  H      -8.250341     -1.405894     -0.176720
  H      -8.171526     -3.481370      1.215335
  H      -6.263361     -3.875177      2.761849
  H      -4.451360     -2.217947      2.967864
  H      -5.225772      5.627408      4.619273
  H      -4.602452      6.517686      6.026746
  H      -3.559554      7.457907      4.143310
  H      -2.296125      6.497523      4.920231
  H      -4.780562      5.431509      0.276676
  H      -0.648576      3.495984     -0.155178
  H       1.290819      3.133275      1.379295
  H       1.201515      3.968115      3.725175
  H      -0.782886      5.185994      4.544722
  H      -7.428650      0.810999      6.624312
  H      -7.373830      2.076116      5.387935
  H      -5.919634      0.423889      4.005445
  H      -6.509603     -0.849743      5.077873
  H      -9.319362      1.951213      1.462584
  H     -11.854559     -1.798388      2.226349
  H     -11.672695     -3.754727      3.769378
  H      -9.781899     -3.907458      5.380878
  H      -8.052192     -2.151743      5.454613
  N      -5.339065      3.053973      3.806561
  N      -6.265665      3.226913      2.915350
  H      -5.978340      3.742973      2.080094
  H      -6.978829      2.439251      2.827459
90
Coordinates from ORCA-job orca E -6141.103825927529
  N      -2.768619      1.798258      4.334504
  Mo     -4.289596      2.721211      5.177256
  N      -5.510943      1.592918      6.246382
  C      -5.139105      1.135440      7.582087
  C      -3.624429      1.052384      7.669644
  N      -3.027664      2.244325      7.016387
  C      -1.658159      1.974662      6.507035
  C      -1.743174      1.205236      5.198032
  C      -3.091590      3.451033      7.880902
  C      -3.045996      4.695824      7.009849
  N      -3.952780      4.536209      5.872133
  H      -0.760831      1.254312      4.697279
  H      -1.949028      0.132397      5.379708
  H      -1.181067      2.945723      6.316534
  H      -1.059377      1.441441      7.264816
  H      -3.348535      5.568574      7.615209
  H      -2.010543      4.895488      6.674000
  H      -4.049411      3.417327      8.417478
  H      -2.275823      3.440887      8.623392
  H      -5.561635      0.135247      7.778703
  H      -5.549328      1.809304      8.358641
  H      -3.278292      0.170202      7.114135
  H      -3.275427      0.964119      8.712603
  C      -2.577758      1.500448      2.916278
  C      -3.143279      0.127018      2.483518
  C      -4.368987      0.214639      1.600506
  N      -4.490926      1.297213      0.845695
  C      -5.562387      1.376773      0.013876
  N      -6.530257      0.496172     -0.132687
  C      -6.430081     -0.635153      0.629580
  C      -7.446694     -1.616607      0.531752
  C      -7.376110     -2.763492      1.294047
  C      -6.285712     -2.978984      2.168850
  C      -5.280827     -2.039448      2.282863
  C      -5.333061     -0.840760      1.527389
  C      -4.337462      5.791430      5.233521
  C      -3.244134      6.433131      4.354259
  C      -3.047485      5.739631      3.033657
  N      -4.066897      5.822669      2.181798
  C      -3.897287      5.290931      0.943683
  N      -2.829524      4.682336      0.467268
  C      -1.786488      4.541401      1.336639
  C      -0.626222      3.852841      0.904216
  C       0.431602      3.668526      1.768637
  C       0.371058      4.159035      3.095544
  C      -0.742258      4.842252      3.538463
  C      -1.847293      5.054534      2.673925
  C      -6.842194      1.200039      5.784217
  C      -6.755943      0.145778      4.655216
  C      -7.990928      0.098732      3.805555
  N      -8.154312      1.116195      2.959690
  C      -9.249383      1.117363      2.153643
  N     -10.187338      0.198105      2.097357
  C     -10.053489     -0.857978      2.953817
  C     -11.019197     -1.892700      2.921444
  C     -10.901499     -2.972856      3.770608
  C      -9.826006     -3.057366      4.687331
  C      -8.868763     -2.066555      4.737363
  C      -8.953048     -0.948804      3.868062
  H      -3.065289      2.271961      2.310828
  H      -1.499900      1.547247      2.692976
  H      -3.353454     -0.478845      3.376171
  H      -2.382122     -0.433116      1.913864
  H      -5.616287      2.283648     -0.597693
  H      -8.276760     -1.429102     -0.150246
  H      -8.169301     -3.510403      1.231404
  H      -6.243265     -3.895789      2.758649
  H      -4.443533     -2.224872      2.956430
  H      -5.229763      5.624836      4.616676
  H      -4.605281      6.516722      6.022436
  H      -3.576573      7.457905      4.126394
  H      -2.306627      6.518371      4.917033
  H      -4.753882      5.388296      0.267862
  H      -0.612374      3.470027     -0.116643
  H       1.322189      3.134965      1.432478
  H       1.216768      4.001113      3.766673
  H      -0.776137      5.218613      4.560945
  H      -7.426903      0.801408      6.628657
  H      -7.383286      2.078977      5.403794
  H      -5.924200      0.443958      4.002798
  H      -6.507177     -0.839884      5.066102
  H      -9.339560      1.971700      1.476787
  H     -11.842141     -1.805508      2.211280
  H     -11.642927     -3.772529      3.739169
  H      -9.754160     -3.917730      5.354076
  H      -8.040931     -2.146697      5.441875
  N      -5.352887      3.056564      3.812608
  N      -6.279053      3.247095      2.924258
  H      -5.992071      3.778196      2.098320
  H      -6.994997      2.463305      2.829396
90
Coordinates from ORCA-job orca E -6141.103863051500
  N      -2.782929      1.792513      4.317464
  Mo     -4.294851      2.720507      5.170429
  N      -5.513177      1.596111      6.246986
  C      -5.136945      1.146258      7.583748
  C      -3.622208      1.055668      7.662704
  N      -3.022626      2.242421      7.002162
  C      -1.658235      1.962611      6.484629
  C      -1.755761      1.193899      5.175679
  C      -3.073195      3.451402      7.864463
  C      -3.029621      4.693952      6.989999
  N      -3.946766      4.534668      5.860816
  H      -0.776128      1.238281      4.669289
  H      -1.966311      0.122302      5.358829
  H      -1.174293      2.929919      6.292352
  H      -1.059497      1.424180      7.238782
  H      -3.322475      5.569774      7.595588
  H      -1.996166      4.887177      6.644583
  H      -4.026038      3.423248      8.410302
  H      -2.250332      3.439391      8.599071
  H      -5.563779      0.149861      7.789969
  H      -5.538704      1.827854      8.358013
  H      -3.284274      0.170138      7.107410
  H      -3.267133      0.968563      8.703651
  C      -2.595613      1.503704      2.897047
  C      -3.153025      0.130055      2.456295
  C      -4.397253      0.213146      1.598706
  N      -4.542354      1.299410      0.852928
  C      -5.624826      1.370986      0.034963
  N      -6.582429      0.478695     -0.107403
  C      -6.460704     -0.654817      0.648411
  C      -7.466485     -1.647887      0.556149
  C      -7.375230     -2.797015      1.312871
  C      -6.274356     -3.002657      2.176643
  C      -5.278923     -2.052316      2.284153
  C      -5.351579     -0.851652      1.533465
  C      -4.341072      5.789587      5.227218
  C      -3.255379      6.440079      4.345518
  C      -3.039856      5.736995      3.033370
  N      -4.053294      5.796724      2.172642
  C      -3.864849      5.255914      0.941179
  N      -2.785500      4.655900      0.480518
  C      -1.748937      4.536816      1.360417
  C      -0.578167      3.854107      0.946759
  C       0.472847      3.689236      1.823168
  C       0.395309      4.195686      3.143129
  C      -0.728181      4.874006      3.567462
  C      -1.827828      5.064240      2.691027
  C      -6.845256      1.202216      5.788034
  C      -6.760647      0.154874      4.652568
  C      -7.997226      0.109973      3.805111
  N      -8.166459      1.132399      2.966300
  C      -9.263208      1.133853      2.162531
  N     -10.196680      0.210442      2.100984
  C     -10.056214     -0.851048      2.949416
  C     -11.015948     -1.891046      2.909832
  C     -10.891614     -2.976704      3.750840
  C      -9.815413     -3.061588      4.666701
  C      -8.863988     -2.065585      4.723664
  C      -8.954698     -0.942255      3.862192
  H      -3.089601      2.275862      2.297664
  H      -1.518657      1.558097      2.670689
  H      -3.333515     -0.494997      3.341971
  H      -2.396415     -0.408049      1.859776
  H      -5.698041      2.281370     -0.569434
  H      -8.305127     -1.467060     -0.117082
  H      -8.160350     -3.552742      1.254739
  H      -6.215311     -3.921002      2.762560
  H      -4.432986     -2.230733      2.948727
  H      -5.235370      5.619359      4.614201
  H      -4.608806      6.512083      6.018632
  H      -3.604123      7.456883      4.106619
  H      -2.322307      6.546489      4.912038
  H      -4.716461      5.333807      0.256977
  H      -0.551694      3.460003     -0.069548
  H       1.371219      3.159571      1.502031
  H       1.236027      4.053938      3.824027
  H      -0.772939      5.262459      4.585034
  H      -7.425180      0.796064      6.632124
  H      -7.390508      2.081920      5.415246
  H      -5.930438      0.456718      3.999721
  H      -6.509870     -0.832583      5.057794
  H      -9.359469      1.993194      1.493078
  H     -11.839602     -1.803137      2.200630
  H     -11.628249     -3.780469      3.713658
  H      -9.738362     -3.926264      5.327215
  H      -8.035537     -2.146015      5.427292
  N      -5.368569      3.062250      3.815405
  N      -6.297938      3.271126      2.935140
  H      -6.014088      3.816339      2.117599
  H      -7.015062      2.489792      2.833399
90
Coordinates from ORCA-job orca E -6141.104027116498
  N      -2.808396      1.800021      4.286149
  Mo     -4.307983      2.727553      5.160993
  N      -5.512298      1.600942      6.250823
  C      -5.121593      1.154619      7.584679
  C      -3.605732      1.061657      7.644704
  N      -3.013574      2.247996      6.975513
  C      -1.656588      1.966191      6.439512
  C      -1.773366      1.197581      5.131987
  C      -3.050998      3.457172      7.838585
  C      -3.016901      4.700560      6.965296
  N      -3.945927      4.541039      5.846044
  H      -0.799837      1.238841      4.613544
  H      -1.985049      0.126657      5.317421
  H      -1.172147      2.932095      6.241614
  H      -1.049994      1.424724      7.185143
  H      -3.302437      5.576361      7.574182
  H      -1.987424      4.893633      6.607696
  H      -3.997623      3.430405      8.395189
  H      -2.219595      3.443390      8.563499
  H      -5.548297      0.160109      7.799802
  H      -5.512723      1.839424      8.361436
  H      -3.277258      0.175707      7.084471
  H      -3.235461      0.974077      8.680193
  C      -2.640652      1.513915      2.863335
  C      -3.192763      0.136613      2.429760
  C      -4.448937      0.206309      1.589363
  N      -4.625614      1.298149      0.858356
  C      -5.720726      1.357725      0.056567
  N      -6.666039      0.451163     -0.078301
  C      -6.514549     -0.685836      0.666433
  C      -7.503975     -1.695750      0.579654
  C      -7.379157     -2.851961      1.320606
  C      -6.262096     -3.046289      2.165868
  C      -5.282765     -2.078949      2.268878
  C      -5.387849     -0.872430      1.531315
  C      -4.342898      5.796686      5.215000
  C      -3.256461      6.455203      4.339273
  C      -3.013247      5.738741      3.039390
  N      -4.013994      5.774775      2.162842
  C      -3.804107      5.208166      0.946683
  N      -2.711933      4.611421      0.512209
  C      -1.685041      4.523384      1.406790
  C      -0.495689      3.857763      1.018029
  C       0.545961      3.725157      1.910779
  C       0.441902      4.251884      3.220889
  C      -0.698364      4.917413      3.619973
  C      -1.789369      5.073704      2.726365
  C      -6.845922      1.203345      5.800151
  C      -6.764112      0.153962      4.666140
  C      -7.998620      0.112592      3.815437
  N      -8.164277      1.139973      2.981741
  C      -9.256684      1.145144      2.172148
  N     -10.189155      0.221653      2.100572
  C     -10.051623     -0.845365      2.942424
  C     -11.012143     -1.884234      2.893565
  C     -10.891578     -2.974928      3.728454
  C      -9.816872     -3.067598      4.645397
  C      -8.865338     -2.072252      4.712188
  C      -8.954153     -0.942040      3.859517
  H      -3.148985      2.283820      2.273010
  H      -1.567950      1.576640      2.619477
  H      -3.353513     -0.494530      3.314779
  H      -2.438755     -0.390482      1.819947
  H      -5.817094      2.271054     -0.540116
  H      -8.355997     -1.523101     -0.078776
  H      -8.149748     -3.622442      1.263115
  H      -6.176436     -3.970393      2.739325
  H      -4.423321     -2.248224      2.918286
  H      -5.232634      5.621808      4.596701
  H      -4.619404      6.515565      6.006558
  H      -3.617063      7.464072      4.085233
  H      -2.331770      6.580877      4.915411
  H      -4.642984      5.272183      0.245461
  H      -0.447150      3.452673      0.006752
  H       1.459415      3.209816      1.609559
  H       1.276896      4.138419      3.914074
  H      -0.758538      5.325493      4.629135
  H      -7.421510      0.796956      6.647270
  H      -7.394488      2.081701      5.429395
  H      -5.932667      0.452125      4.012988
  H      -6.515595     -0.832943      5.073977
  H      -9.348668      2.007948      1.506676
  H     -11.833889     -1.790168      2.182930
  H     -11.630505     -3.776463      3.686449
  H      -9.743114     -3.936067      5.301282
  H      -8.039349     -2.157964      5.418013
  N      -5.401042      3.067387      3.820339
  N      -6.342406      3.279051      2.953563
  H      -6.067448      3.805153      2.120724
  H      -7.078056      2.511513      2.881844
90
Coordinates from ORCA-job orca E -6141.104003426671
  N      -2.833447      1.827915      4.229834
  Mo     -4.316362      2.752435      5.136396
  N      -5.505389      1.615580      6.232684
  C      -5.095071      1.163072      7.559399
  C      -3.577505      1.065096      7.594305
  N      -2.995682      2.258445      6.924826
  C      -1.647861      1.980690      6.363938
  C      -1.790033      1.216606      5.057393
  C      -3.016482      3.461577      7.797546
  C      -2.992070      4.713269      6.936921
  N      -3.933125      4.559661      5.827380
  H      -0.824533      1.253907      4.523420
  H      -2.004464      0.146349      5.242643
  H      -1.163842      2.946060      6.162673
  H      -1.031345      1.431407      7.095469
  H      -3.270521      5.584014      7.555789
  H      -1.967454      4.910516      6.566947
  H      -3.956896      3.433353      8.364223
  H      -2.176491      3.439011      8.512300
  H      -5.524528      0.171325      7.780926
  H      -5.470149      1.847614      8.343905
  H      -3.263149      0.184060      7.018579
  H      -3.185412      0.966782      8.620575
  C      -2.699880      1.540859      2.805195
  C      -3.238002      0.152734      2.393927
  C      -4.511399      0.184615      1.579509
  N      -4.754038      1.280188      0.872944
  C      -5.870762      1.304611      0.099707
  N      -6.787013      0.365964     -0.016263
  C      -6.573399     -0.770499      0.712681
  C      -7.524772     -1.817544      0.640816
  C      -7.328730     -2.981088      1.354263
  C      -6.181365     -3.142096      2.164901
  C      -5.240086     -2.136720      2.256508
  C      -5.413743     -0.925464      1.539418
  C      -4.335558      5.820007      5.208677
  C      -3.252704      6.490654      4.335981
  C      -2.976531      5.738765      3.063125
  N      -3.966057      5.724623      2.173312
  C      -3.743650      5.081184      0.998830
  N      -2.641689      4.469927      0.609578
  C      -1.617661      4.452485      1.511875
  C      -0.406056      3.804530      1.161169
  C       0.631471      3.743531      2.066107
  C       0.504120      4.334541      3.346253
  C      -0.654705      4.990833      3.705464
  C      -1.742472      5.072678      2.798446
  C      -6.848417      1.232391      5.796274
  C      -6.794951      0.196521      4.647351
  C      -8.050097      0.163673      3.825501
  N      -8.255603      1.223968      3.042818
  C      -9.363616      1.241702      2.255186
  N     -10.279042      0.303724      2.162380
  C     -10.101276     -0.797095      2.951594
  C     -11.047538     -1.847889      2.883158
  C     -10.889126     -2.971010      3.666940
  C      -9.785198     -3.089015      4.545719
  C      -8.848002     -2.081513      4.632409
  C      -8.980852     -0.913513      3.838413
  H      -3.236509      2.302329      2.228899
  H      -1.636180      1.620718      2.528128
  H      -3.367189     -0.481442      3.281623
  H      -2.484827     -0.358812      1.769283
  H      -6.014520      2.217551     -0.487825
  H      -8.402166     -1.669707      0.010193
  H      -8.065148     -3.784022      1.298391
  H      -6.039195     -4.072611      2.716432
  H      -4.355194     -2.278687      2.877432
  H      -5.218520      5.637849      4.583140
  H      -4.625395      6.530221      6.003176
  H      -3.633310      7.484067      4.053049
  H      -2.338262      6.649897      4.919905
  H      -4.569302      5.111585      0.279342
  H      -0.336680      3.359801      0.167584
  H       1.563847      3.245287      1.795749
  H       1.338864      4.283247      4.047216
  H      -0.721688      5.456781      4.689112
  H      -7.413781      0.817154      6.646479
  H      -7.397752      2.119746      5.449815
  H      -5.982134      0.504511      3.975197
  H      -6.531583     -0.793137      5.038767
  H      -9.482144      2.130337      1.628870
  H     -11.890498     -1.733558      2.200854
  H     -11.621501     -3.778471      3.616165
  H      -9.682100     -3.983127      5.161959
  H      -8.002339     -2.185390      5.311945
  N      -5.423687      3.094769      3.807162
  N      -6.369966      3.311409      2.947385
  H      -6.102834      3.832884      2.108841
  H      -7.101903      2.538258      2.877143
90
Coordinates from ORCA-job orca E -6141.103921868335
  N      -2.842025      1.818842      4.212471
  Mo     -4.315837      2.758718      5.118057
  N      -5.524297      1.623150      6.194796
  C      -5.126200      1.153504      7.519683
  C      -3.609526      1.039357      7.562756
  N      -3.011760      2.233620      6.909033
  C      -1.663365      1.951060      6.351390
  C      -1.805954      1.196036      5.040200
  C      -3.027038      3.426422      7.795431
  C      -2.983600      4.687960      6.951424
  N      -3.912996      4.554348      5.830022
  H      -0.838395      1.228245      4.509566
  H      -2.029385      0.126588      5.219524
  H      -1.173156      2.914688      6.157203
  H      -1.052837      1.393229      7.081465
  H      -3.264644      5.552308      7.578330
  H      -1.953804      4.884421      6.596276
  H      -3.972437      3.400636      8.353492
  H      -2.193996      3.386790      8.517580
  H      -5.566244      0.163545      7.727873
  H      -5.499942      1.832881      8.309199
  H      -3.300877      0.160831      6.980213
  H      -3.224752      0.926618      8.590475
  C      -2.719207      1.515758      2.790208
  C      -3.275083      0.128001      2.399372
  C      -4.552926      0.161809      1.591655
  N      -4.792987      1.250844      0.874912
  C      -5.915866      1.274756      0.110115
  N      -6.839955      0.342033      0.011593
  C      -6.627748     -0.788671      0.749591
  C      -7.586673     -1.829753      0.696150
  C      -7.391314     -2.988197      1.418003
  C      -6.237916     -3.149241      2.220197
  C      -5.290005     -2.148590      2.295250
  C      -5.462462     -0.942973      1.568472
  C      -4.303257      5.825283      5.224559
  C      -3.213188      6.506327      4.367824
  C      -2.925238      5.771838      3.086461
  N      -3.914813      5.751295      2.195766
  C      -3.680011      5.131361      1.010792
  N      -2.564501      4.551478      0.611768
  C      -1.538278      4.544303      1.512472
  C      -0.311730      3.931879      1.149389
  C       0.728257      3.879384      2.052130
  C       0.588874      4.444978      3.342443
  C      -0.584551      5.068036      3.713650
  C      -1.676535      5.137447      2.810373
  C      -6.863483      1.241266      5.743296
  C      -6.802656      0.184692      4.612822
  C      -8.055866      0.128886      3.788222
  N      -8.260257      1.165913      2.974737
  C      -9.363065      1.158311      2.179568
  N     -10.277577      0.217229      2.110914
  C     -10.103195     -0.858659      2.934950
  C     -11.051227     -1.909572      2.898021
  C     -10.896931     -3.007107      3.718277
  C      -9.794275     -3.099363      4.601811
  C      -8.854779     -2.091804      4.657406
  C      -8.984802     -0.948847      3.827547
  H      -3.253093      2.275307      2.209239
  H      -1.656375      1.582201      2.505703
  H      -3.410228     -0.490152      3.297467
  H      -2.530581     -0.403490      1.781023
  H      -6.057630      2.181870     -0.486558
  H      -8.468387     -1.682301      0.071372
  H      -8.131923     -3.787813      1.374069
  H      -6.096755     -4.075813      2.778748
  H      -4.401098     -2.290131      2.910406
  H      -5.182055      5.655115      4.590550
  H      -4.597063      6.525585      6.026867
  H      -3.594152      7.502247      4.094172
  H      -2.303189      6.661939      4.959536
  H      -4.511620      5.143819      0.297018
  H      -0.232654      3.506236      0.147994
  H       1.671978      3.408514      1.771982
  H       1.425917      4.402009      4.041281
  H      -0.661017      5.516678      4.704541
  H      -7.440947      0.840830      6.592595
  H      -7.404737      2.125946      5.377718
  H      -5.988444      0.482237      3.937774
  H      -6.537309     -0.796357      5.024429
  H      -9.477457      2.026940      1.524415
  H     -11.892886     -1.815420      2.210939
  H     -11.632088     -3.813552      3.693497
  H      -9.693573     -3.973888      5.245981
  H      -8.010342     -2.175678      5.341486
  N      -5.405457      3.132510      3.783582
  N      -6.342365      3.368741      2.918911
  H      -6.061920      3.892293      2.085646
  H      -7.088064      2.608896      2.840091
90
Coordinates from ORCA-job orca E -6141.104075664129
  N      -2.859875      1.817179      4.215063
  Mo     -4.329356      2.749333      5.134843
  N      -5.517025      1.610465      6.229502
  C      -5.099626      1.133210      7.544103
  C      -3.582831      1.036813      7.569794
  N      -3.004362      2.237283      6.914078
  C      -1.658046      1.971176      6.342887
  C      -1.800929      1.214798      5.030816
  C      -3.028424      3.427542      7.802795
  C      -3.000507      4.689114      6.955804
  N      -3.931182      4.549760      5.835519
  H      -0.840130      1.265613      4.489618
  H      -2.002116      0.141218      5.212835
  H      -1.185523      2.942429      6.143489
  H      -1.030042      1.424840      7.067156
  H      -3.288942      5.550948      7.583424
  H      -1.973036      4.894301      6.600860
  H      -3.969740      3.391085      8.368017
  H      -2.190692      3.395867      8.519887
  H      -5.525078      0.135485      7.746380
  H      -5.472162      1.801441      8.344088
  H      -3.268091      0.163417      6.982658
  H      -3.189683      0.926204      8.594611
  C      -2.739415      1.516462      2.789945
  C      -3.271980      0.118968      2.396470
  C      -4.560803      0.135708      1.603120
  N      -4.813820      1.214508      0.875309
  C      -5.932161      1.213314      0.103095
  N      -6.829734      0.257380     -0.009611
  C      -6.599096     -0.868576      0.731463
  C      -7.535014     -1.930049      0.670373
  C      -7.329635     -3.076685      1.408233
  C      -6.182961     -3.208864      2.225465
  C      -5.254786     -2.189683      2.303687
  C      -5.443261     -0.991658      1.568933
  C      -4.322270      5.815300      5.218807
  C      -3.233196      6.490311      4.359759
  C      -2.942027      5.765338      3.073293
  N      -3.923302      5.761020      2.173338
  C      -3.664859      5.198298      0.964465
  N      -2.544993      4.632244      0.561874
  C      -1.535497      4.588067      1.478870
  C      -0.319467      3.952374      1.124302
  C       0.705265      3.857414      2.041225
  C       0.557515      4.395813      3.342237
  C      -0.609836      5.033155      3.708206
  C      -1.688038      5.142348      2.791870
  C      -6.859064      1.226452      5.794157
  C      -6.798377      0.201755      4.637913
  C      -8.047153      0.177693      3.807992
  N      -8.237126      1.231161      3.012828
  C      -9.338313      1.247235      2.215298
  N     -10.261559      0.315735      2.126597
  C     -10.101927     -0.774789      2.933821
  C     -11.051755     -1.822369      2.865718
  C     -10.906860     -2.937529      3.663706
  C      -9.817631     -3.047067      4.561388
  C      -8.875248     -2.044465      4.644902
  C      -8.989075     -0.889110      3.830116
  H      -3.288086      2.265036      2.209085
  H      -1.677586      1.600469      2.505367
  H      -3.383040     -0.504097      3.294682
  H      -2.526510     -0.397408      1.766690
  H      -6.092799      2.118121     -0.492670
  H      -8.411405     -1.804139      0.033560
  H      -8.058452     -3.888050      1.369263
  H      -6.033521     -4.125695      2.797694
  H      -4.372558     -2.309950      2.933167
  H      -5.206322      5.647498      4.591103
  H      -4.606796      6.521997      6.019063
  H      -3.614144      7.487094      4.087895
  H      -2.323917      6.646951      4.952158
  H      -4.498824      5.200776      0.254329
  H      -0.235870      3.540708      0.117949
  H       1.639676      3.365444      1.766189
  H       1.379765      4.313963      4.054866
  H      -0.701027      5.451803      4.710060
  H      -7.422719      0.805345      6.642326
  H      -7.409806      2.114211      5.450318
  H      -5.979722      0.515168      3.975761
  H      -6.540901     -0.793088      5.020322
  H      -9.448067      2.129300      1.578069
  H     -11.884292     -1.715292      2.169559
  H     -11.637730     -3.745407      3.607221
  H      -9.723032     -3.936579      5.185700
  H      -8.036082     -2.144992      5.333151
  N      -5.443642      3.119537      3.819976
  N      -6.399473      3.353943      2.976878
  H      -6.139461      3.902756      2.154620
  H      -7.132607      2.587292      2.897907
90
Coordinates from ORCA-job orca E -6141.102619441443
  N      -2.875105      1.929396      4.179557
  Mo     -4.353321      2.822330      5.123903
  N      -5.510863      1.649944      6.216789
  C      -5.073941      1.154769      7.516926
  C      -3.556407      1.093330      7.531634
  N      -3.008576      2.310878      6.887139
  C      -1.662065      2.078726      6.299906
  C      -1.798319      1.335654      4.978216
  C      -3.049007      3.488897      7.790991
  C      -3.039871      4.759759      6.956369
  N      -3.968614      4.621145      5.834386
  H      -0.841584      1.412430      4.432636
  H      -1.976780      0.255520      5.145789
  H      -1.214008      3.062665      6.107010
  H      -1.013860      1.539329      7.011785
  H      -3.340239      5.611744      7.591957
  H      -2.015259      4.981405      6.603389
  H      -3.989751      3.433172      8.356792
  H      -2.210733      3.459083      8.507332
  H      -5.473806      0.142057      7.697202
  H      -5.459094      1.795363      8.333853
  H      -3.225578      0.234427      6.931911
  H      -3.153790      0.979683      8.552232
  C      -2.761601      1.655052      2.747836
  C      -3.296395      0.264876      2.336456
  C      -4.592920      0.298560      1.558217
  N      -4.867360      1.398618      0.869716
  C      -6.001927      1.411606      0.121102
  N      -6.895364      0.453331     -0.002438
  C      -6.643409     -0.693491      0.700430
  C      -7.574597     -1.758831      0.629414
  C      -7.346338     -2.924242      1.330314
  C      -6.181788     -3.071896      2.119157
  C      -5.258243     -2.049504      2.205662
  C      -5.468890     -0.833788      1.507711
  C      -4.314221      5.882390      5.184936
  C      -3.196168      6.478443      4.312313
  C      -2.923013      5.675132      3.069458
  N      -3.892070      5.664397      2.158518
  C      -3.648429      5.015536      0.991016
  N      -2.558121      4.366130      0.640527
  C      -1.569353      4.316698      1.577618
  C      -0.396303      3.577645      1.291054
  C       0.604066      3.471854      2.233956
  C       0.472423      4.099820      3.495913
  C      -0.654561      4.836433      3.795857
  C      -1.705282      4.961848      2.850312
  C      -6.842746      1.228427      5.786446
  C      -6.755817      0.193373      4.641778
  C      -8.004487      0.125570      3.814774
  N      -8.228081      1.165609      3.011268
  C      -9.331872      1.139504      2.217415
  N     -10.228907      0.182001      2.142542
  C     -10.035581     -0.895047      2.959239
  C     -10.958214     -1.967360      2.908486
  C     -10.779263     -3.069246      3.717772
  C      -9.682111     -3.140502      4.609121
  C      -8.766024     -2.112532      4.676683
  C      -8.915039     -0.968941      3.850500
  H      -3.315799      2.413485      2.185088
  H      -1.701797      1.744788      2.456197
  H      -3.402755     -0.369238      3.227645
  H      -2.557456     -0.245382      1.693880
  H      -6.183346      2.334184     -0.441041
  H      -8.465371     -1.621082      0.015547
  H      -8.070145     -3.739695      1.283939
  H      -6.015193     -4.003025      2.662639
  H      -4.362036     -2.181181      2.813039
  H      -5.200192      5.728923      4.554914
  H      -4.575425      6.621289      5.963513
  H      -3.534971      7.474767      3.987641
  H      -2.285716      6.625403      4.905282
  H      -4.469625      5.025202      0.267299
  H      -0.322352      3.097687      0.315264
  H       1.505539      2.898954      2.010820
  H       1.273228      4.004595      4.230763
  H      -0.737453      5.320900      4.767622
  H      -7.395486      0.805216      6.640525
  H      -7.414114      2.098885      5.432507
  H      -5.947788      0.522657      3.974140
  H      -6.470170     -0.789654      5.033815
  H      -9.472604      2.010325      1.571983
  H     -11.797797     -1.890220      2.217060
  H     -11.489695     -3.895841      3.674797
  H      -9.560473     -4.020992      5.241472
  H      -7.920908     -2.183848      5.360869
  N      -5.485718      3.191960      3.820592
  N      -6.461410      3.402257      2.996374
  H      -6.232635      3.970227      2.178434
  H      -7.175568      2.618719      2.918246
90
Coordinates from ORCA-job orca E -6141.104378897438
  N      -2.860326      1.842000      4.205632
  Mo     -4.335041      2.767313      5.124098
  N      -5.518695      1.618180      6.213163
  C      -5.098188      1.129130      7.523147
  C      -3.580146      1.046477      7.551608
  N      -3.012808      2.256251      6.902933
  C      -1.663603      2.005601      6.331771
  C      -1.798879      1.246407      5.021233
  C      -3.049123      3.443111      7.796271
  C      -3.023568      4.710168      6.957512
  N      -3.941260      4.568549      5.827103
  H      -0.837641      1.304672      4.481285
  H      -1.991587      0.170964      5.201829
  H      -1.202319      2.981842      6.130655
  H      -1.029559      1.466189      7.055806
  H      -3.326545      5.565691      7.586671
  H      -1.994763      4.928074      6.612941
  H      -3.995377      3.399073      8.352397
  H      -2.217957      3.412113      8.520965
  H      -5.515603      0.125675      7.713473
  H      -5.479145      1.784139      8.329903
  H      -3.257170      0.179187      6.959934
  H      -3.185502      0.933994      8.575596
  C      -2.747156      1.537422      2.781942
  C      -3.301859      0.148300      2.395892
  C      -4.587127      0.183028      1.600655
  N      -4.851102      1.281812      0.907138
  C      -5.984240      1.302163      0.156387
  N      -6.891340      0.354738      0.045043
  C      -6.653610     -0.787410      0.758695
  C      -7.597379     -1.841913      0.697465
  C      -7.379546     -3.006792      1.402467
  C      -6.215890     -3.162757      2.190923
  C      -5.281517     -2.149769      2.271060
  C      -5.478691     -0.936792      1.563877
  C      -4.309299      5.833704      5.196114
  C      -3.205804      6.488591      4.339382
  C      -2.908562      5.734260      3.071327
  N      -3.890857      5.696828      2.174178
  C      -3.639899      5.073544      0.994246
  N      -2.515466      4.505383      0.605790
  C      -1.501263      4.502789      1.519022
  C      -0.274633      3.879656      1.178035
  C       0.754485      3.830389      2.093783
  C       0.602442      4.407163      3.377764
  C      -0.573548      5.037007      3.728661
  C      -1.654458      5.102680      2.811924
  C      -6.857573      1.224645      5.774341
  C      -6.793933      0.186545      4.629301
  C      -8.046553      0.143897      3.804759
  N      -8.254558      1.197309      3.013849
  C      -9.358607      1.200227      2.220253
  N     -10.270478      0.257845      2.134032
  C     -10.093305     -0.832721      2.937390
  C     -11.037229     -1.886246      2.879749
  C     -10.878270     -2.999013      3.678368
  C      -9.777504     -3.102420      4.562645
  C      -8.841487     -2.092923      4.637477
  C      -8.973726     -0.936268      3.826997
  H      -3.289394      2.293988      2.204757
  H      -1.686703      1.606989      2.490241
  H      -3.433186     -0.466033      3.297651
  H      -2.562751     -0.387324      1.774879
  H      -6.151536      2.220645     -0.416062
  H      -8.487624     -1.697619      0.084251
  H      -8.110700     -3.815204      1.357584
  H      -6.057409     -4.094032      2.736782
  H      -4.385291     -2.287287      2.876625
  H      -5.186346      5.666848      4.558243
  H      -4.598922      6.549479      5.986184
  H      -3.577901      7.482052      4.044840
  H      -2.299581      6.649316      4.935419
  H      -4.462920      5.082057      0.271426
  H      -0.184617      3.442380      0.182855
  H       1.697611      3.348923      1.830213
  H       1.429712      4.364247      4.088001
  H      -0.664494      5.492716      4.714570
  H      -7.423355      0.811905      6.625416
  H      -7.409500      2.107702      5.421158
  H      -5.982034      0.500018      3.958833
  H      -6.524775     -0.800967      5.022144
  H      -9.480044      2.080689      1.583111
  H     -11.878219     -1.783743      2.193149
  H     -11.607851     -3.809389      3.634113
  H      -9.672699     -3.989825      5.188306
  H      -7.996417     -2.187271      5.319172
  N      -5.440749      3.121674      3.796377
  N      -6.394312      3.325315      2.941804
  H      -6.142872      3.874887      2.116525
  H      -7.104581      2.536607      2.854224
90
Coordinates from ORCA-job orca E -6141.103827900841
  N      -2.916035      1.849198      4.194437
  Mo     -4.353467      2.805173      5.140298
  N      -5.546704      1.671910      6.235270
  C      -5.120511      1.170269      7.538994
  C      -3.603867      1.055173      7.547816
  N      -3.018088      2.255791      6.897939
  C      -1.682847      1.981744      6.305692
  C      -1.851000      1.234568      4.992137
  C      -3.015414      3.435997      7.799889
  C      -2.972909      4.706960      6.969368
  N      -3.908283      4.591558      5.851321
  H      -0.897473      1.281682      4.437857
  H      -2.057388      0.161322      5.170277
  H      -1.205688      2.950276      6.104073
  H      -1.048869      1.425629      7.017013
  H      -3.249695      5.564345      7.608308
  H      -1.944095      4.904923      6.613318
  H      -3.953574      3.408332      8.370165
  H      -2.174288      3.382019      8.511691
  H      -5.554689      0.174237      7.730304
  H      -5.478355      1.828995      8.353210
  H      -3.306964      0.184011      6.948219
  H      -3.199929      0.928638      8.566755
  C      -2.819314      1.546275      2.767667
  C      -3.355622      0.148471      2.380129
  C      -4.634190      0.151949      1.570179
  N      -4.904759      1.232777      0.852538
  C      -6.012222      1.211547      0.063982
  N      -6.881941      0.233931     -0.074897
  C      -6.636415     -0.892389      0.660302
  C      -7.545265     -1.975276      0.575647
  C      -7.324947     -3.122157      1.308795
  C      -6.189189     -3.233090      2.144041
  C      -5.286816     -2.192761      2.244673
  C      -5.491732     -0.994251      1.515223
  C      -4.264944      5.867699      5.235897
  C      -3.163721      6.510494      4.367450
  C      -2.877832      5.748703      3.100900
  N      -3.867917      5.703151      2.211378
  C      -3.621469      5.083899      1.027714
  N      -2.499699      4.513308      0.635839
  C      -1.479876      4.513937      1.543271
  C      -0.258670      3.882582      1.198640
  C       0.776193      3.833321      2.107866
  C       0.635379      4.419546      3.388971
  C      -0.535714      5.056971      3.743087
  C      -1.623566      5.119978      2.834008
  C      -6.887071      1.281246      5.797032
  C      -6.821384      0.237814      4.656516
  C      -8.073493      0.178636      3.831877
  N      -8.289305      1.218147      3.024713
  C      -9.390359      1.198326      2.226946
  N     -10.287223      0.240975      2.144650
  C     -10.097973     -0.838836      2.960169
  C     -11.014212     -1.916080      2.894242
  C     -10.836247     -3.022838      3.697339
  C      -9.747342     -3.093549      4.599350
  C      -8.837860     -2.060892      4.681723
  C      -8.985734     -0.913327      3.861514
  H      -3.371807      2.297444      2.193225
  H      -1.760602      1.624545      2.471043
  H      -3.480469     -0.467768      3.281388
  H      -2.603678     -0.375445      1.764681
  H      -6.187030      2.118300     -0.524495
  H      -8.414351     -1.864611     -0.073909
  H      -8.034759     -3.949101      1.253215
  H      -6.027132     -4.150617      2.711805
  H      -4.412122     -2.296721      2.887122
  H      -5.154508      5.720682      4.611425
  H      -4.529367      6.583411      6.035317
  H      -3.532230      7.505072      4.071290
  H      -2.253235      6.669554      4.957220
  H      -4.457189      5.067012      0.319369
  H      -0.179865      3.435736      0.206811
  H       1.714295      3.343563      1.841449
  H       1.466743      4.376825      4.094440
  H      -0.619694      5.517079      4.727851
  H      -7.452310      0.869683      6.648974
  H      -7.438405      2.163730      5.440829
  H      -6.010725      0.550705      3.984754
  H      -6.547033     -0.746412      5.054478
  H      -9.520702      2.070098      1.579005
  H     -11.846653     -1.838847      2.193953
  H     -11.539646     -3.854945      3.640699
  H      -9.627225     -3.976456      5.228652
  H      -7.997780     -2.132447      5.372570
  N      -5.469757      3.210003      3.838003
  N      -6.428095      3.465585      3.003732
  H      -6.167817      4.019709      2.183743
  H      -7.178077      2.713090      2.927288
90
Coordinates from ORCA-job orca E -6141.104615258692
  N      -2.892258      1.867047      4.179368
  Mo     -4.349068      2.794224      5.123929
  N      -5.521842      1.637981      6.216554
  C      -5.087075      1.134711      7.516464
  C      -3.568823      1.050513      7.526279
  N      -3.007942      2.265709      6.882516
  C      -1.666025      2.021610      6.291711
  C      -1.816302      1.272003      4.976962
  C      -3.033341      3.443235      7.787945
  C      -3.011230      4.717683      6.960753
  N      -3.936399      4.588235      5.835188
  H      -0.862904      1.339019      4.424271
  H      -2.001197      0.194372      5.152715
  H      -1.210406      3.000675      6.091208
  H      -1.020575      1.479139      7.003350
  H      -3.309029      5.567785      7.599929
  H      -1.984273      4.937061      6.612058
  H      -3.974315      3.395799      8.352716
  H      -2.195574      3.403343      8.504616
  H      -5.502188      0.129111      7.700231
  H      -5.458645      1.780761      8.334725
  H      -3.253283      0.188523      6.922999
  H      -3.163115      0.927933      8.544856
  C      -2.798988      1.559454      2.753986
  C      -3.344124      0.162544      2.380765
  C      -4.627163      0.174491      1.579761
  N      -4.898032      1.257608      0.865352
  C      -6.020251      1.247824      0.097552
  N      -6.907857      0.282956     -0.016380
  C      -6.663199     -0.844051      0.718708
  C      -7.588638     -1.914528      0.658622
  C      -7.365354     -3.063405      1.387854
  C      -6.212911     -3.187374      2.198099
  C      -5.295453     -2.158578      2.276090
  C      -5.500261     -0.960431      1.546286
  C      -4.296747      5.858595      5.210228
  C      -3.187144      6.503145      4.354456
  C      -2.887468      5.739996      3.091750
  N      -3.863207      5.704571      2.186808
  C      -3.603302      5.084307      1.006732
  N      -2.482301      4.500357      0.633075
  C      -1.476437      4.492660      1.555498
  C      -0.255323      3.851185      1.229877
  C       0.765648      3.795698      2.154372
  C       0.610589      4.384517      3.432527
  C      -0.560768      5.030926      3.768774
  C      -1.634233      5.101537      2.843423
  C      -6.859787      1.237824      5.781282
  C      -6.792348      0.203057      4.633239
  C      -8.045056      0.155424      3.809170
  N      -8.260384      1.208641      3.019862
  C      -9.366753      1.206158      2.229172
  N     -10.272905      0.257978      2.143215
  C     -10.087000     -0.832967      2.944200
  C     -11.022450     -1.893936      2.884633
  C     -10.854180     -3.007144      3.680832
  C      -9.753101     -3.102888      4.565551
  C      -8.824798     -2.086479      4.641435
  C      -8.965411     -0.930325      3.831816
  H      -3.355371      2.308564      2.180707
  H      -1.742307      1.636239      2.449580
  H      -3.474541     -0.441612      3.289666
  H      -2.599365     -0.376714      1.769754
  H      -6.194945      2.155160     -0.490217
  H      -8.470377     -1.794382      0.028118
  H      -8.083768     -3.883460      1.345823
  H      -6.049639     -4.106236      2.763280
  H      -4.407779     -2.272138      2.898929
  H      -5.176777      5.702728      4.574021
  H      -4.576550      6.575064      6.003444
  H      -3.551968      7.497785      4.053929
  H      -2.282989      6.661418      4.953942
  H      -4.428228      5.073958      0.286237
  H      -0.163145      3.404360      0.239182
  H       1.704249      3.299448      1.902253
  H       1.431019      4.335997      4.150278
  H      -0.656261      5.492308      4.751563
  H      -7.420736      0.819690      6.632866
  H      -7.417175      2.118658      5.431085
  H      -5.982104      0.522048      3.963215
  H      -6.518328     -0.784501      5.022907
  H      -9.497127      2.087889      1.595314
  H     -11.864372     -1.797052      2.198321
  H     -11.576431     -3.823770      3.634089
  H      -9.640974     -3.990561      5.189580
  H      -7.978881     -2.175207      5.322958
  N      -5.471808      3.167183      3.816726
  N      -6.436665      3.384697      2.978744
  H      -6.193616      3.942641      2.156801
  H      -7.153935      2.603430      2.896588
90
Coordinates from ORCA-job orca E -6141.104518177538
  N      -2.886642      1.862755      4.187638
  Mo     -4.351855      2.791305      5.117506
  N      -5.524460      1.639263      6.215072
  C      -5.092654      1.146988      7.520177
  C      -3.574246      1.068949      7.536368
  N      -3.017007      2.281993      6.885727
  C      -1.671508      2.039364      6.302449
  C      -1.811759      1.277983      4.993459
  C      -3.052498      3.466799      7.781604
  C      -3.031825      4.735726      6.945614
  N      -3.948003      4.593291      5.814139
  H      -0.856176      1.347394      4.444727
  H      -1.991019      0.200285      5.174898
  H      -1.220369      3.019024      6.094795
  H      -1.026177      1.506540      7.021399
  H      -3.338812      5.588612      7.576573
  H      -2.003758      4.958690      6.602372
  H      -3.996691      3.419482      8.340998
  H      -2.218965      3.436136      8.503660
  H      -5.505027      0.141382      7.710041
  H      -5.469725      1.797713      8.332118
  H      -3.252923      0.203977      6.940450
  H      -3.171243      0.955782      8.557068
  C      -2.783624      1.559274      2.762637
  C      -3.346735      0.174200      2.375633
  C      -4.621804      0.219651      1.564745
  N      -4.885580      1.331144      0.892306
  C      -6.012237      1.360719      0.131425
  N      -6.911967      0.410399     -0.008812
  C      -6.674817     -0.745036      0.683697
  C      -7.611783     -1.803182      0.591635
  C      -7.393871     -2.981062      1.274741
  C      -6.237086     -3.146445      2.071229
  C      -5.309489     -2.129978      2.181347
  C      -5.507161     -0.904058      1.497213
  C      -4.305016      5.857213      5.174380
  C      -3.186615      6.495967      4.325085
  C      -2.872810      5.719682      3.073957
  N      -3.839306      5.672697      2.160250
  C      -3.571076      5.028235      0.995303
  N      -2.444907      4.442975      0.638692
  C      -1.446644      4.450639      1.569424
  C      -0.219569      3.810559      1.262723
  C       0.793766      3.773118      2.196497
  C       0.625276      4.379050      3.464853
  C      -0.551819      5.024286      3.782577
  C      -1.617416      5.077501      2.847084
  C      -6.860311      1.231381      5.780496
  C      -6.792119      0.175747      4.651718
  C      -8.047237      0.110679      3.832358
  N      -8.265570      1.148654      3.023806
  C      -9.373343      1.129456      2.235304
  N     -10.279123      0.179436      2.170063
  C     -10.090945     -0.895388      2.991844
  C     -11.028432     -1.955735      2.958209
  C     -10.859405     -3.051903      3.777500
  C      -9.754343     -3.131462      4.658896
  C      -8.823966     -2.115305      4.709816
  C      -8.966591     -0.975373      3.877754
  H      -3.327270      2.319201      2.191300
  H      -1.724600      1.626341      2.464892
  H      -3.500057     -0.433500      3.278736
  H      -2.605762     -0.374835      1.768845
  H      -6.180630      2.290467     -0.422060
  H      -8.496829     -1.651042     -0.027179
  H      -8.119668     -3.792510      1.205980
  H      -6.078655     -4.087694      2.599712
  H      -4.418227     -2.275300      2.792290
  H      -5.177041      5.692752      4.529169
  H      -4.596138      6.579820      5.957669
  H      -3.548536      7.487268      4.010929
  H      -2.288985      6.660048      4.932761
  H      -4.381276      5.027105      0.258441
  H      -0.115176      3.352207      0.278362
  H       1.737459      3.279415      1.958887
  H       1.440487      4.345893      4.189376
  H      -0.656435      5.500936      4.757108
  H      -7.424316      0.828345      6.637375
  H      -7.416078      2.106374      5.413855
  H      -5.984142      0.483498      3.973692
  H      -6.515223     -0.803447      5.059732
  H      -9.505280      1.998114      1.584142
  H     -11.873119     -1.871314      2.273700
  H     -11.584443     -3.867207      3.752360
  H      -9.641666     -4.005729      5.301448
  H      -7.975795     -2.191272      5.389958
  N      -5.467793      3.137029      3.796837
  N      -6.427892      3.326536      2.945759
  H      -6.186499      3.876491      2.117748
  H      -7.127207      2.528284      2.862590
90
Coordinates from ORCA-job orca E -6141.104701257060
  N      -2.902132      1.882071      4.171016
  Mo     -4.355700      2.810499      5.119141
  N      -5.523830      1.651484      6.213852
  C      -5.083552      1.141514      7.509345
  C      -3.564966      1.062888      7.514819
  N      -3.010964      2.282208      6.873584
  C      -1.669632      2.046156      6.278224
  C      -1.819319      1.294524      4.964609
  C      -3.039852      3.457386      7.781788
  C      -3.018666      4.734057      6.957878
  N      -3.938503      4.604819      5.827916
  H      -0.868275      1.368740      4.408741
  H      -1.995681      0.215392      5.140454
  H      -1.221951      3.028157      6.074161
  H      -1.017601      1.509100      6.987980
  H      -3.322034      5.581515      7.597995
  H      -1.991032      4.957816      6.614049
  H      -3.981779      3.406751      8.344726
  H      -2.203408      3.417237      8.500000
  H      -5.494621      0.133333      7.688030
  H      -5.455505      1.781132      8.332412
  H      -3.247780      0.204275      6.907600
  H      -3.155743      0.938408      8.531758
  C      -2.817797      1.568842      2.746175
  C      -3.373905      0.174531      2.380501
  C      -4.652356      0.194250      1.572628
  N      -4.926462      1.287243      0.874871
  C      -6.051082      1.286855      0.110148
  N      -6.937597      0.322461     -0.014986
  C      -6.689324     -0.814971      0.702881
  C      -7.614492     -1.884997      0.631827
  C      -7.388044     -3.043270      1.345108
  C      -6.232467     -3.177560      2.149145
  C      -5.315247     -2.149405      2.237506
  C      -5.523873     -0.941595      1.525069
  C      -4.289425      5.875063      5.197070
  C      -3.170310      6.509578      4.346182
  C      -2.865068      5.734658      3.091979
  N      -3.833851      5.696891      2.180138
  C      -3.570928      5.058282      1.010630
  N      -2.450626      4.464166      0.651096
  C      -1.451645      4.459412      1.580957
  C      -0.232541      3.806028      1.271820
  C       0.781505      3.755103      2.204252
  C       0.621388      4.360068      3.474183
  C      -0.548402      5.017193      3.794642
  C      -1.614748      5.083817      2.860709
  C      -6.859607      1.243901      5.779403
  C      -6.787767      0.201659      4.638456
  C      -8.041864      0.140950      3.817397
  N      -8.266452      1.188531      3.023086
  C      -9.374684      1.173739      2.234985
  N     -10.273705      0.218297      2.155556
  C     -10.077845     -0.867342      2.961242
  C     -11.004974     -1.935923      2.908309
  C     -10.825887     -3.044483      3.708605
  C      -9.721634     -3.128051      4.590589
  C      -8.801134     -2.104108      4.659865
  C      -8.953246     -0.952177      3.846321
  H      -3.373821      2.319630      2.174826
  H      -1.762865      1.639849      2.434880
  H      -3.519808     -0.419614      3.293902
  H      -2.630969     -0.379846      1.781011
  H      -6.228419      2.202146     -0.464339
  H      -8.498847     -1.756660      0.006638
  H      -8.106476     -3.862879      1.295162
  H      -6.066997     -4.103684      2.701662
  H      -4.425242     -2.270742      2.855555
  H      -5.165755      5.721011      4.555273
  H      -4.571104      6.595499      5.985951
  H      -3.527020      7.504117      4.036025
  H      -2.269849      6.666387      4.951401
  H      -4.386038      5.056403      0.279219
  H      -0.134611      3.348261      0.286640
  H       1.719036      3.250771      1.964474
  H       1.436821      4.315794      4.197882
  H      -0.647700      5.491626      4.770740
  H      -7.420407      0.829920      6.633180
  H      -7.418885      2.120662      5.422519
  H      -5.980868      0.521273      3.964754
  H      -6.507012     -0.781514      5.034253
  H      -9.512679      2.050476      1.595989
  H     -11.849096     -1.848626      2.223429
  H     -11.541697     -3.867020      3.666978
  H      -9.600727     -4.012446      5.217620
  H      -7.952379     -2.183950      5.338929
  N      -5.480677      3.174467      3.811211
  N      -6.447656      3.375605      2.971029
  H      -6.210798      3.932867      2.146675
  H      -7.152641      2.582568      2.887760
90
Coordinates from ORCA-job orca E -6141.104710519596
  N      -2.921078      1.880386      4.149091
  Mo     -4.362589      2.814959      5.109277
  N      -5.524445      1.658023      6.212489
  C      -5.076032      1.150557      7.506122
  C      -3.557552      1.067686      7.499694
  N      -3.005066      2.284979      6.852832
  C      -1.669813      2.044189      6.246068
  C      -1.832289      1.292009      4.934153
  C      -3.022756      3.460709      7.760654
  C      -3.005229      4.737068      6.936061
  N      -3.933010      4.608284      5.812815
  H      -0.885951      1.365494      4.370281
  H      -2.008362      0.213199      5.112019
  H      -1.220771      3.024572      6.037289
  H      -1.013430      1.505577      6.950602
  H      -3.302145      5.585522      7.577849
  H      -1.979531      4.958060      6.584863
  H      -3.959504      3.412643      8.332369
  H      -2.179776      3.418969      8.471160
  H      -5.488418      0.144094      7.691059
  H      -5.439527      1.793565      8.330293
  H      -3.247739      0.207722      6.890541
  H      -3.140545      0.942859      8.513441
  C      -2.846464      1.569417      2.723095
  C      -3.403275      0.175988      2.357096
  C      -4.691444      0.195445      1.564136
  N      -4.977838      1.290568      0.874703
  C      -6.107692      1.286772      0.117604
  N      -6.987942      0.316908     -0.007955
  C      -6.729100     -0.821530      0.704578
  C      -7.649129     -1.896032      0.635702
  C      -7.413871     -3.054377      1.346086
  C      -6.253774     -3.184228      2.144138
  C      -5.340490     -2.152175      2.229054
  C      -5.558068     -0.944327      1.519440
  C      -4.290628      5.877949      5.184316
  C      -3.175164      6.519601      4.334202
  C      -2.846029      5.732017      3.094377
  N      -3.803886      5.666895      2.172613
  C      -3.518486      5.014912      1.015716
  N      -2.387593      4.426802      0.680111
  C      -1.399837      4.448768      1.621717
  C      -0.170787      3.801613      1.339031
  C       0.832698      3.778134      2.283857
  C       0.652057      4.406291      3.539674
  C      -0.527871      5.057397      3.834205
  C      -1.584621      5.094412      2.887721
  C      -6.860035      1.245976      5.781623
  C      -6.788025      0.205452      4.639096
  C      -8.044130      0.140056      3.821595
  N      -8.277229      1.188784      3.031261
  C      -9.387949      1.170111      2.246899
  N     -10.281123      0.209215      2.166573
  C     -10.075411     -0.878605      2.966898
  C     -10.994184     -1.954201      2.910483
  C     -10.804833     -3.065202      3.704938
  C      -9.698961     -3.143837      4.585379
  C      -8.786675     -2.112862      4.658167
  C      -8.948604     -0.958820      3.849532
  H      -3.407301      2.320761      2.157200
  H      -1.793627      1.642357      2.405116
  H      -3.535885     -0.424919      3.268124
  H      -2.666301     -0.372615      1.745063
  H      -6.295941      2.204421     -0.449566
  H      -8.537318     -1.770322      0.015439
  H      -8.129464     -3.876634      1.299430
  H      -6.081175     -4.110187      2.694741
  H      -4.446637     -2.270621      2.842053
  H      -5.166578      5.719978      4.543091
  H      -4.575140      6.596539      5.973872
  H      -3.545285      7.504167      4.008401
  H      -2.282862      6.698822      4.945247
  H      -4.325705      4.987676      0.276189
  H      -0.057031      3.326465      0.363770
  H       1.777607      3.278216      2.064733
  H       1.459519      4.384567      4.273254
  H      -0.641859      5.549539      4.800003
  H      -7.416630      0.828127      6.636220
  H      -7.423517      2.121252      5.427657
  H      -5.984263      0.528417      3.963309
  H      -6.502375     -0.777074      5.032976
  H      -9.534386      2.049316      1.613109
  H     -11.839867     -1.870310      2.227118
  H     -11.513487     -3.893683      3.659693
  H      -9.570054     -4.030095      5.208154
  H      -7.936413     -2.189107      5.335696
  N      -5.498754      3.180530      3.811724
  N      -6.469718      3.389923      2.978058
  H      -6.235824      3.951660      2.155883
  H      -7.175586      2.597866      2.895208
90
Coordinates from ORCA-job orca E -6141.104658983700
  N      -2.930197      1.891090      4.135215
  Mo     -4.362505      2.833642      5.101446
  N      -5.517666      1.669637      6.203974
  C      -5.059425      1.143397      7.487192
  C      -3.540538      1.069890      7.473613
  N      -2.998980      2.296562      6.836469
  C      -1.665332      2.072283      6.220595
  C      -1.827002      1.317833      4.910459
  C      -3.022811      3.463758      7.754550
  C      -3.008055      4.747786      6.941848
  N      -3.926107      4.624674      5.810198
  H      -0.886058      1.405728      4.339623
  H      -1.986459      0.236156      5.087541
  H      -1.233458      3.058793      6.004444
  H      -0.995068      1.545251      6.920767
  H      -3.316330      5.587353      7.590147
  H      -1.981175      4.979501      6.601613
  H      -3.960045      3.406441      8.324441
  H      -2.181095      3.419396      8.466594
  H      -5.464167      0.131294      7.657288
  H      -5.423451      1.770569      8.323118
  H      -3.227131      0.217639      6.855552
  H      -3.119826      0.938101      8.485139
  C      -2.874842      1.557397      2.712522
  C      -3.460117      0.168508      2.376741
  C      -4.723969      0.197803      1.544400
  N      -4.979010      1.285893      0.833144
  C      -6.089165      1.283613      0.045923
  N      -6.976265      0.321802     -0.089408
  C      -6.749500     -0.809417      0.645704
  C      -7.682886     -1.871795      0.572912
  C      -7.483570     -3.018617      1.312657
  C      -6.344252     -3.150582      2.139800
  C      -5.417131     -2.130848      2.226868
  C      -5.600842     -0.933813      1.490688
  C      -4.281659      5.898060      5.187420
  C      -3.161485      6.545584      4.347309
  C      -2.824503      5.757494      3.110313
  N      -3.776671      5.693621      2.182766
  C      -3.486741      5.039192      1.028108
  N      -2.362419      4.428913      0.710071
  C      -1.380329      4.449325      1.658520
  C      -0.158934      3.781433      1.392585
  C       0.843303      3.766854      2.339280
  C       0.667605      4.421263      3.582372
  C      -0.507927      5.086369      3.862961
  C      -1.563217      5.114993      2.914042
  C      -6.848624      1.244244      5.771863
  C      -6.767764      0.187244      4.644814
  C      -8.020215      0.108133      3.823360
  N      -8.252803      1.147160      3.020392
  C      -9.365758      1.121546      2.239266
  N     -10.261770      0.161749      2.174643
  C     -10.054645     -0.917830      2.986062
  C     -10.973506     -1.993966      2.942991
  C     -10.782131     -3.096781      3.748460
  C      -9.676569     -3.164429      4.630187
  C      -8.764735     -2.132394      4.690739
  C      -8.926154     -0.988877      3.867274
  H      -3.430486      2.308702      2.142129
  H      -1.824558      1.609990      2.383320
  H      -3.648861     -0.387476      3.307240
  H      -2.723205     -0.434357      1.818680
  H      -6.255464      2.197416     -0.533892
  H      -8.554235     -1.744360     -0.070441
  H      -8.213024     -3.828747      1.268821
  H      -6.200313     -4.067384      2.713507
  H      -4.539473     -2.251599      2.862487
  H      -5.154835      5.744411      4.541794
  H      -4.569569      6.611989      5.980175
  H      -3.531040      7.529849      4.020169
  H      -2.274028      6.725268      4.965280
  H      -4.297028      4.993629      0.292881
  H      -0.047335      3.284725      0.427873
  H       1.782578      3.251503      2.131672
  H       1.473690      4.405890      4.317622
  H      -0.622531      5.595026      4.820062
  H      -7.408880      0.837974      6.629573
  H      -7.412258      2.111909      5.400321
  H      -5.961890      0.504686      3.969446
  H      -6.481965     -0.789853      5.052025
  H      -9.515254      1.995046      1.597932
  H     -11.819791     -1.918258      2.259371
  H     -11.488460     -3.927582      3.710223
  H      -9.546480     -4.043862      5.262360
  H      -7.914408     -2.200684      5.369113
  N      -5.500393      3.184688      3.802481
  N      -6.471647      3.360498      2.959191
  H      -6.236182      3.898898      2.121448
  H      -7.164402      2.555887      2.887209
90
Coordinates from ORCA-job orca E -6141.104779377101
  N      -2.939793      1.898936      4.117190
  Mo     -4.366877      2.838705      5.094004
  N      -5.519514      1.672297      6.197015
  C      -5.056732      1.143654      7.477631
  C      -3.537946      1.065576      7.456355
  N      -2.996474      2.293624      6.820990
  C      -1.665673      2.069107      6.198999
  C      -1.834978      1.320384      4.886448
  C      -3.013665      3.457766      7.743156
  C      -2.999973      4.744328      6.934754
  N      -3.923749      4.626143      5.807320
  H      -0.896192      1.407664      4.311895
  H      -1.996605      0.238586      5.060461
  H      -1.230824      3.055131      5.986382
  H      -0.994955      1.535991      6.894123
  H      -3.302536      5.583009      7.586747
  H      -1.974349      4.974325      6.589497
  H      -3.948598      3.400591      8.316898
  H      -2.168741      3.409256      8.451084
  H      -5.464442      0.133085      7.649644
  H      -5.414340      1.771663      8.315657
  H      -3.230513      0.214935      6.833159
  H      -3.111740      0.928830      8.464804
  C      -2.891668      1.570279      2.693410
  C      -3.456952      0.172806      2.359335
  C      -4.734127      0.180266      1.547667
  N      -5.024062      1.268332      0.849498
  C      -6.147671      1.249262      0.082244
  N      -7.018242      0.271000     -0.043686
  C      -6.755825     -0.860389      0.678964
  C      -7.667605     -1.941927      0.612957
  C      -7.429242     -3.092093      1.335749
  C      -6.272795     -3.207129      2.141266
  C      -5.367184     -2.167902      2.223003
  C      -5.589673     -0.967893      1.502187
  C      -4.278228      5.902734      5.190634
  C      -3.156252      6.553685      4.355181
  C      -2.813446      5.766533      3.119255
  N      -3.760734      5.704423      2.186752
  C      -3.468991      5.040341      1.038295
  N      -2.342906      4.431160      0.724527
  C      -1.365052      4.452331      1.676910
  C      -0.141916      3.785244      1.416279
  C       0.854728      3.768830      2.368653
  C       0.672626      4.423225      3.610787
  C      -0.503442      5.089852      3.885379
  C      -1.553724      5.119124      2.931088
  C      -6.854757      1.254936      5.770379
  C      -6.783879      0.205859      4.635236
  C      -8.041809      0.133846      3.821188
  N      -8.278878      1.179253      3.027731
  C      -9.394962      1.158854      2.250906
  N     -10.289213      0.198044      2.180466
  C     -10.077685     -0.887824      2.982017
  C     -10.995987     -1.964193      2.933974
  C     -10.800837     -3.073154      3.729885
  C      -9.690620     -3.148066      4.605188
  C      -8.779130     -2.115975      4.670308
  C      -8.945803     -0.965001      3.858339
  H      -3.462633      2.315004      2.129415
  H      -1.845283      1.639200      2.354977
  H      -3.616753     -0.394648      3.288027
  H      -2.717422     -0.409498      1.782998
  H      -6.340120      2.162078     -0.491140
  H      -8.552808     -1.827418     -0.013681
  H      -8.140185     -3.918670      1.293927
  H      -6.097717     -4.126796      2.701550
  H      -4.475841     -2.275237      2.841698
  H      -5.149824      5.751394      4.542228
  H      -4.568070      6.612811      5.986071
  H      -3.526386      7.537592      4.027839
  H      -2.271295      6.734000      4.976534
  H      -4.268298      5.013016      0.290386
  H      -0.025131      3.291381      0.450698
  H       1.795732      3.254961      2.165427
  H       1.475442      4.408743      4.349630
  H      -0.619703      5.601226      4.840789
  H      -7.410846      0.843577      6.628502
  H      -7.418473      2.127006      5.409644
  H      -5.982155      0.526750      3.956332
  H      -6.496332     -0.774089      5.034240
  H      -9.545687      2.036090      1.615336
  H     -11.845498     -1.882830      2.255032
  H     -11.507897     -3.903190      3.689446
  H      -9.557782     -4.032243      5.230102
  H      -7.925894     -2.189333      5.344456
  N      -5.509890      3.198611      3.801685
  N      -6.482860      3.387130      2.963609
  H      -6.250429      3.935073      2.131505
  H      -7.178618      2.585495      2.886224
90
Coordinates from ORCA-job orca E -6141.104790610943
  N      -2.938749      1.895023      4.119416
  Mo     -4.368763      2.833308      5.093496
  N      -5.522075      1.667960      6.197193
  C      -5.060201      1.139795      7.478032
  C      -3.541526      1.063369      7.458753
  N      -3.000107      2.290926      6.823160
  C      -1.668173      2.066197      6.203577
  C      -1.834776      1.317021      4.890594
  C      -3.019599      3.456093      7.744058
  C      -3.006256      4.741852      6.933848
  N      -3.928449      4.621802      5.805230
  H      -0.894943      1.404619      4.317769
  H      -1.996223      0.235113      5.064286
  H      -1.232921      3.052168      5.991766
  H      -0.998518      1.533542      6.900149
  H      -3.310482      5.581155      7.584298
  H      -1.980407      4.972120      6.589750
  H      -3.955152      3.398672      8.316924
  H      -2.175523      3.409100      8.453050
  H      -5.467033      0.128642      7.649082
  H      -5.419721      1.767291      8.315700
  H      -3.232267      0.212529      6.836742
  H      -3.116777      0.927964      8.467951
  C      -2.886217      1.569688      2.694973
  C      -3.452404      0.173918      2.354986
  C      -4.727572      0.188473      1.540890
  N      -5.008639      1.279027      0.842761
  C      -6.132692      1.269306      0.076232
  N      -7.011002      0.297960     -0.049905
  C      -6.757106     -0.836135      0.671781
  C      -7.677388     -1.910477      0.605556
  C      -7.447163     -3.063189      1.326882
  C      -6.291338     -3.187840      2.131916
  C      -5.377991     -2.155626      2.214316
  C      -5.591712     -0.953250      1.494778
  C      -4.281791      5.896674      5.184752
  C      -3.159692      6.546465      4.349055
  C      -2.812004      5.755945      3.116510
  N      -3.760400      5.680164      2.186441
  C      -3.465456      5.011119      1.041785
  N      -2.333619      4.413803      0.726772
  C      -1.354361      4.448751      1.676877
  C      -0.125621      3.792013      1.416760
  C       0.873035      3.789036      2.367176
  C       0.687473      4.447267      3.606702
  C      -0.494076      5.104443      3.880488
  C      -1.547050      5.118689      2.928897
  C      -6.856498      1.248615      5.770716
  C      -6.783326      0.197023      4.638235
  C      -8.040586      0.122020      3.823452
  N      -8.274801      1.162042      3.022155
  C      -9.388876      1.136937      2.242634
  N     -10.284034      0.176744      2.176690
  C     -10.076444     -0.902957      2.987363
  C     -10.997643     -1.977197      2.946948
  C     -10.807073     -3.079685      3.752896
  C      -9.697531     -3.150908      4.629318
  C      -8.782709     -2.121199      4.686498
  C      -8.945903     -0.975788      3.865923
  H      -3.454766      2.316574      2.131205
  H      -1.838779      1.638570      2.359764
  H      -3.614494     -0.396285      3.281429
  H      -2.712998     -0.407382      1.777415
  H      -6.316872      2.183007     -0.498565
  H      -8.561821     -1.788967     -0.020847
  H      -8.163039     -3.885325      1.282891
  H      -6.122797     -4.109522      2.690884
  H      -4.487545     -2.270120      2.833021
  H      -5.152310      5.743087      4.535201
  H      -4.573501      6.608572      5.977922
  H      -3.532941      7.527541      4.016827
  H      -2.276470      6.732792      4.971118
  H      -4.262941      4.981298      0.292091
  H      -0.005700      3.295663      0.452874
  H       1.818412      3.283235      2.164076
  H       1.492204      4.444329      4.343566
  H      -0.612706      5.620839      4.832768
  H      -7.412922      0.839293      6.629608
  H      -7.420329      2.119350      5.407052
  H      -5.981239      0.517429      3.959503
  H      -6.495257     -0.781705      5.039809
  H      -9.536256      2.008760      1.599052
  H     -11.846446     -1.898986      2.266785
  H     -11.517572     -3.907185      3.719746
  H      -9.568011     -4.030249      5.261696
  H      -7.930397     -2.191367      5.362167
  N      -5.511251      3.191729      3.799676
  N      -6.484592      3.378061      2.962096
  H      -6.257134      3.935894      2.135586
  H      -7.174486      2.572379      2.878201
90
Coordinates from ORCA-job orca E -6141.104800568766
  N      -2.950012      1.898313      4.099931
  Mo     -4.373772      2.837943      5.081876
  N      -5.521988      1.670694      6.188936
  C      -5.053152      1.138648      7.465726
  C      -3.534584      1.062639      7.438369
  N      -2.996964      2.292457      6.803892
  C      -1.667906      2.070736      6.177301
  C      -1.839806      1.322868      4.864159
  C      -3.013440      3.455028      7.728048
  C      -3.003763      4.742944      6.921182
  N      -3.928411      4.625062      5.794419
  H      -0.903506      1.414409      4.286148
  H      -1.997027      0.240184      5.036897
  H      -1.235391      3.057687      5.964284
  H      -0.993727      1.538445      6.869774
  H      -3.306905      5.580392      7.574528
  H      -1.978951      4.974553      6.575067
  H      -3.946387      3.395372      8.304880
  H      -2.166277      3.406881      8.433322
  H      -5.458889      0.126953      7.636045
  H      -5.408278      1.763657      8.307082
  H      -3.228222      0.213911      6.812065
  H      -3.104790      0.924195      8.445037
  C      -2.906206      1.571879      2.675394
  C      -3.470532      0.174316      2.340317
  C      -4.748278      0.185100      1.530043
  N      -5.036211      1.275643      0.834809
  C      -6.163183      1.262693      0.072481
  N      -7.038215      0.288203     -0.051643
  C      -6.777373     -0.845883      0.667582
  C      -7.693907     -1.923486      0.603457
  C      -7.456659     -3.076256      1.322433
  C      -6.297434     -3.197532      2.123047
  C      -5.387538     -2.162088      2.203258
  C      -5.608387     -0.959750      1.485864
  C      -4.282539      5.901429      5.177437
  C      -3.157475      6.558488      4.351066
  C      -2.792781      5.767477      3.123955
  N      -3.729563      5.688185      2.182508
  C      -3.419950      5.016085      1.043486
  N      -2.285826      4.413887      0.746588
  C      -1.318250      4.452906      1.708477
  C      -0.087599      3.792441      1.467273
  C       0.900985      3.796757      2.428162
  C       0.703278      4.466690      3.659474
  C      -0.480787      5.126611      3.915303
  C      -1.524415      5.132148      2.953283
  C      -6.856601      1.248480      5.766122
  C      -6.784351      0.195901      4.634340
  C      -8.044016      0.116715      3.823677
  N      -8.282512      1.153857      3.019851
  C      -9.399950      1.125078      2.245220
  N     -10.294730      0.164003      2.186616
  C     -10.082746     -0.912690      3.000109
  C     -11.003873     -1.987324      2.968332
  C     -10.809397     -3.086470      3.777900
  C      -9.695527     -3.154111      4.649123
  C      -8.780660     -2.123994      4.697772
  C      -8.948161     -0.981758      3.873673
  H      -3.481330      2.316559      2.115536
  H      -1.861507      1.644628      2.332680
  H      -3.629753     -0.393765      3.268624
  H      -2.732087     -0.408216      1.762830
  H      -6.353299      2.176627     -0.499973
  H      -8.581116     -1.804379     -0.019465
  H      -8.169419     -3.901129      1.279762
  H      -6.123340     -4.119262      2.680242
  H      -4.494316     -2.274129      2.818378
  H      -5.149138      5.747924      4.522772
  H      -4.580365      6.609323      5.971990
  H      -3.535217      7.536108      4.013806
  H      -2.281836      6.752562      4.981432
  H      -4.208234      4.982772      0.284335
  H       0.042278      3.288399      0.508650
  H       1.847913      3.288318      2.239376
  H       1.500625      4.470741      4.404301
  H      -0.608306      5.652418      4.861321
  H      -7.410331      0.839066      6.626721
  H      -7.422564      2.117851      5.402654
  H      -5.985095      0.518071      3.953193
  H      -6.492771     -0.781828      5.035885
  H      -9.551130      1.994751      1.599639
  H     -11.856059     -1.911812      2.292100
  H     -11.520205     -3.913990      3.751837
  H      -9.562864     -4.030802      5.284519
  H      -7.925298     -2.191149      5.369913
  N      -5.522275      3.193766      3.792824
  N      -6.497042      3.377236      2.956005
  H      -6.272424      3.935968      2.129322
  H      -7.183783      2.569217      2.872685
90
Coordinates from ORCA-job orca E -6141.104806032285
  N      -2.949981      1.901479      4.098958
  Mo     -4.373596      2.840523      5.081777
  N      -5.522295      1.672385      6.187448
  C      -5.052626      1.135174      7.461912
  C      -3.534017      1.060075      7.434182
  N      -2.997104      2.291775      6.802890
  C      -1.667689      2.072667      6.176227
  C      -1.838612      1.326727      4.861906
  C      -3.014506      3.452478      7.729330
  C      -3.003993      4.741971      6.924875
  N      -3.927577      4.626428      5.796928
  H      -0.902544      1.420341      4.283836
  H      -1.994264      0.243521      5.032828
  H      -1.236343      3.060504      5.965069
  H      -0.992933      1.540094      6.867916
  H      -3.307874      5.578174      7.579488
  H      -1.978877      4.974199      6.580063
  H      -3.948024      3.391725      8.305096
  H      -2.168100      3.402902      8.435409
  H      -5.457822      0.122579      7.628155
  H      -5.408063      1.756531      8.305838
  H      -3.227244      0.213160      6.805614
  H      -3.104055      0.919155      8.440459
  C      -2.909634      1.571819      2.675034
  C      -3.473541      0.172638      2.345291
  C      -4.748593      0.179828      1.530748
  N      -5.036083      1.268407      0.832242
  C      -6.161920      1.252759      0.068197
  N      -7.036854      0.277881     -0.053701
  C      -6.775830     -0.854581      0.667971
  C      -7.691583     -1.932962      0.605376
  C      -7.453698     -3.084325      1.326387
  C      -6.294565     -3.203539      2.127487
  C      -5.385633     -2.167140      2.206505
  C      -5.607356     -0.966073      1.487252
  C      -4.279797      5.903811      5.181104
  C      -3.154012      6.560834      4.355568
  C      -2.790957      5.769629      3.128014
  N      -3.729955      5.689106      2.188841
  C      -3.423517      5.014687      1.050325
  N      -2.291206      4.409304      0.752868
  C      -1.320711      4.450978      1.711811
  C      -0.090583      3.790437      1.468551
  C       0.901889      3.799600      2.425429
  C       0.708671      4.474573      3.654649
  C      -0.475232      5.133947      3.912810
  C      -1.522758      5.134481      2.955022
  C      -6.857346      1.251562      5.764677
  C      -6.785750      0.199802      4.631971
  C      -8.046035      0.121226      3.822320
  N      -8.286231      1.160303      3.021549
  C      -9.404937      1.133187      2.248698
  N     -10.299810      0.172199      2.189681
  C     -10.086141     -0.906456      3.000211
  C     -11.006937     -1.981334      2.967364
  C     -10.810123     -3.082877      3.773137
  C      -9.694290     -3.152670      4.641662
  C      -8.779922     -2.122173      4.691570
  C      -8.949774     -0.977581      3.871273
  H      -3.487089      2.314651      2.115202
  H      -1.866081      1.645082      2.329006
  H      -3.637132     -0.389691      3.276378
  H      -2.733335     -0.414138      1.774415
  H      -6.351996      2.165350     -0.506388
  H      -8.578865     -1.815539     -0.017765
  H      -8.166122     -3.909628      1.285330
  H      -6.120087     -4.124218      2.686294
  H      -4.492564     -2.277337      2.822206
  H      -5.145879      5.751570      4.525497
  H      -4.578021      6.610974      5.976193
  H      -3.531479      7.538760      4.018858
  H      -2.278059      6.754113      4.985725
  H      -4.214663      4.978357      0.294200
  H       0.036230      3.282988      0.511320
  H       1.848552      3.291315      2.234843
  H       1.509250      4.482926      4.395971
  H      -0.599220      5.664480      4.856724
  H      -7.411612      0.842719      6.625195
  H      -7.422299      2.121654      5.401383
  H      -5.987449      0.523654      3.950607
  H      -6.493252     -0.778247      5.032052
  H      -9.557507      2.004440      1.605497
  H     -11.860437     -1.904430      2.292932
  H     -11.520481     -3.910716      3.745947
  H      -9.559577     -4.031465      5.273725
  H      -7.922662     -2.191285      5.361105
  N      -5.521237      3.196005      3.791559
  N      -6.495761      3.374767      2.953354
  H      -6.271112      3.928290      2.123047
  H      -7.184967      2.568187      2.875135
90
Coordinates from ORCA-job orca E -6141.104808972633
  N      -2.948760      1.901259      4.099399
  Mo     -4.373373      2.839570      5.081423
  N      -5.522504      1.672141      6.187487
  C      -5.052997      1.135085      7.462116
  C      -3.534428      1.059814      7.434629
  N      -2.997128      2.291193      6.803127
  C      -1.667353      2.071616      6.177372
  C      -1.837586      1.326424      4.862506
  C      -3.014694      3.452276      7.729089
  C      -3.004194      4.741317      6.923976
  N      -3.928573      4.625649      5.796653
  H      -0.901330      1.420412      4.284795
  H      -1.993146      0.243114      5.032812
  H      -1.235042      3.059320      5.967603
  H      -0.993539      1.538216      6.869333
  H      -3.307338      5.578009      7.578307
  H      -1.979219      4.972837      6.578222
  H      -3.948164      3.391729      8.304927
  H      -2.168253      3.403094      8.435148
  H      -5.458163      0.122466      7.628324
  H      -5.408632      1.756486      8.305932
  H      -3.227631      0.212662      6.806376
  H      -3.104731      0.919080      8.441060
  C      -2.908329      1.571854      2.675483
  C      -3.472565      0.172812      2.345057
  C      -4.746239      0.180841      1.528298
  N      -5.029312      1.268241      0.826063
  C      -6.154024      1.253879      0.060379
  N      -7.031888      0.281416     -0.059916
  C      -6.775080     -0.849934      0.664916
  C      -7.693822     -1.925860      0.603726
  C      -7.460116     -3.076166      1.327753
  C      -6.302345     -3.196824      2.130644
  C      -5.390687     -2.162742      2.208530
  C      -5.608076     -0.962738      1.486165
  C      -4.280802      5.903050      5.180997
  C      -3.154573      6.560743      4.356547
  C      -2.791331      5.771172      3.127971
  N      -3.729819      5.692974      2.187988
  C      -3.423304      5.019921      1.048664
  N      -2.291366      4.413900      0.751070
  C      -1.321468      4.453171      1.710763
  C      -0.092084      3.791248      1.467622
  C       0.899833      3.798137      2.425101
  C       0.706753      4.472121      3.654850
  C      -0.476598      5.132502      3.913114
  C      -1.523583      5.135253      2.954763
  C      -6.857427      1.250676      5.764916
  C      -6.785181      0.197632      4.633401
  C      -8.045029      0.118122      3.823286
  N      -8.284459      1.155942      3.020662
  C      -9.402526      1.127595      2.246903
  N     -10.297415      0.166542      2.188765
  C     -10.084560     -0.910753      3.001357
  C     -11.005227     -1.985772      2.969388
  C     -10.808818     -3.086221      3.776784
  C      -9.693624     -3.154651      4.646238
  C      -8.779485     -2.123912      4.695424
  C      -8.948934     -0.980488      3.873445
  H      -3.485691      2.314867      2.115865
  H      -1.864789      1.645209      2.329391
  H      -3.637944     -0.389246      3.275963
  H      -2.731640     -0.414210      1.775384
  H      -6.340258      2.165293     -0.517315
  H      -8.580019     -1.807459     -0.020779
  H      -8.174911     -3.899488      1.287905
  H      -6.131210     -4.116700      2.691800
  H      -4.498798     -2.273879      2.825788
  H      -5.146354      5.750912      4.524692
  H      -4.579797      6.609782      5.976205
  H      -3.532052      7.539056      4.020915
  H      -2.278912      6.753318      4.987300
  H      -4.213424      4.987080      0.291292
  H       0.034599      3.284704      0.509892
  H       1.845929      3.288784      2.234535
  H       1.506978      4.478911      4.396567
  H      -0.600421      5.662526      4.857411
  H      -7.411877      0.842917      6.625806
  H      -7.422321      2.120295      5.400315
  H      -5.986627      0.521053      3.952160
  H      -6.492663     -0.779926      5.034639
  H      -9.554431      1.997627      1.601885
  H     -11.858116     -1.910101      2.294038
  H     -11.518950     -3.914266      3.750049
  H      -9.559055     -4.032715      5.279350
  H      -7.922433     -2.192136      5.365318
  N      -5.520495      3.194535      3.790392
  N      -6.494356      3.372104      2.951296
  H      -6.270514      3.928017      2.122367
  H      -7.182970      2.565127      2.871486
90
Coordinates from ORCA-job orca E -6141.104809975952
  N      -2.948592      1.901841      4.094958
  Mo     -4.373536      2.838122      5.078406
  N      -5.521873      1.670131      6.184738
  C      -5.051090      1.131347      7.458145
  C      -3.532553      1.056659      7.429295
  N      -2.995940      2.288712      6.798795
  C      -1.666174      2.070135      6.172556
  C      -1.836305      1.327066      4.856429
  C      -3.013722      3.448990      7.725801
  C      -3.004321      4.738650      6.921637
  N      -3.929696      4.623680      5.795012
  H      -0.900499      1.422937      4.278282
  H      -1.990655      0.243310      5.025054
  H      -1.233599      3.058164      5.964926
  H      -0.992370      1.535513      6.863604
  H      -3.307142      5.574809      7.576814
  H      -1.979770      4.970475      6.575005
  H      -3.946792      3.387436      8.302219
  H      -2.166864      3.399700      8.431354
  H      -5.455593      0.118221      7.622955
  H      -5.406422      1.751235      8.303220
  H      -3.225897      0.210305      6.799869
  H      -3.102132      0.914928      8.435287
  C      -2.909679      1.573134      2.670850
  C      -3.472508      0.173360      2.340691
  C      -4.746806      0.180506      1.524877
  N      -5.029521      1.266967      0.820880
  C      -6.154946      1.252298      0.056317
  N      -7.033564      0.280242     -0.061915
  C      -6.776655     -0.850399      0.663994
  C      -7.695782     -1.926119      0.604592
  C      -7.461894     -3.075741      1.329623
  C      -6.303604     -3.195947      2.131877
  C      -5.391685     -2.161984      2.208172
  C      -5.609179     -0.962680      1.484675
  C      -4.283142      5.901271      5.180585
  C      -3.157683      6.561587      4.357423
  C      -2.790279      5.771982      3.130159
  N      -3.727630      5.688766      2.189481
  C      -3.417465      5.015271      1.051392
  N      -2.283343      4.412344      0.756084
  C      -1.314729      4.456236      1.716837
  C      -0.083684      3.796348      1.476922
  C       0.907141      3.807814      2.435535
  C       0.711220      4.484553      3.663285
  C      -0.474029      5.142725      3.918550
  C      -1.520150      5.140219      2.959246
  C      -6.857048      1.248550      5.763051
  C      -6.785328      0.193978      4.632862
  C      -8.044870      0.114777      3.822344
  N      -8.281212      1.150309      3.015888
  C      -9.398944      1.122000      2.241650
  N     -10.296379      0.163119      2.186673
  C     -10.086809     -0.911706      3.003397
  C     -11.010420     -1.984282      2.975209
  C     -10.817306     -3.082184      3.786881
  C      -9.702702     -3.150320      4.657088
  C      -8.785766     -2.121915      4.702688
  C      -8.951706     -0.981264      3.876169
  H      -3.489016      2.315405      2.112358
  H      -1.866814      1.648279      2.323078
  H      -3.636424     -0.388878      3.271717
  H      -2.731294     -0.412566      1.770266
  H      -6.340836      2.162813     -0.522923
  H      -8.582357     -1.808225     -0.019469
  H      -8.176940     -3.898927      1.291171
  H      -6.132331     -4.115330      2.693789
  H      -4.499382     -2.272674      2.824936
  H      -5.148096      5.748682      4.523580
  H      -4.583634      6.606686      5.976442
  H      -3.538140      7.538276      4.020387
  H      -2.283620      6.757755      4.989250
  H      -4.206834      4.978481      0.293453
  H       0.045260      3.287719      0.520614
  H       1.854475      3.299881      2.247349
  H       1.510625      4.495216      4.405835
  H      -0.600161      5.675064      4.861197
  H      -7.411593      0.842555      6.624677
  H      -7.421487      2.117919      5.397121
  H      -5.986129      0.515938      3.951663
  H      -6.493990     -0.783369      5.035438
  H      -9.548199      1.989848      1.593076
  H     -11.862867     -1.908981      2.299262
  H     -11.529682     -3.908363      3.762932
  H      -9.570744     -4.026390      5.293503
  H      -7.929166     -2.189880      5.373177
  N      -5.521600      3.193584      3.787904
  N      -6.495721      3.369837      2.949257
  H      -6.275002      3.931217      2.123289
  H      -7.182486      2.561691      2.866926
90
Coordinates from ORCA-job orca E -6141.104810611990
  N      -2.950483      1.902395      4.090893
  Mo     -4.374095      2.838898      5.076042
  N      -5.521704      1.671621      6.183783
  C      -5.049419      1.132448      7.456503
  C      -3.530918      1.056970      7.425434
  N      -2.994515      2.288968      6.794527
  C      -1.665456      2.069842      6.166962
  C      -1.837238      1.327411      4.850712
  C      -3.010942      3.449226      7.721665
  C      -3.002195      4.738931      6.917632
  N      -3.929162      4.624256      5.792237
  H      -0.902227      1.423705      4.271318
  H      -1.991229      0.243551      5.019049
  H      -1.232122      3.057622      5.959743
  H      -0.991574      1.534200      6.857142
  H      -3.303666      5.575244      7.573213
  H      -1.978088      4.970196      6.569402
  H      -3.943316      3.387829      8.299208
  H      -2.163235      3.399764      8.426200
  H      -5.454179      0.119517      7.621855
  H      -5.403223      1.752433      8.302123
  H      -3.225672      0.210696      6.795201
  H      -3.099032      0.914626      8.430713
  C      -2.913946      1.573489      2.666811
  C      -3.476508      0.173390      2.337458
  C      -4.751082      0.179792      1.522150
  N      -5.034114      1.265825      0.817576
  C      -6.159962      1.250784      0.053695
  N      -7.038848      0.278779     -0.063251
  C      -6.781784     -0.851255      0.663490
  C      -7.701347     -1.926701      0.605824
  C      -7.467394     -3.075713      1.331795
  C      -6.308600     -3.195577      2.133360
  C      -5.396275     -2.161865      2.208029
  C      -5.613832     -0.963125      1.483570
  C      -4.283697      5.901970      5.178694
  C      -3.158461      6.564176      4.356586
  C      -2.787323      5.773270      3.131350
  N      -3.722421      5.687466      2.188672
  C      -3.409392      5.010999      1.053126
  N      -2.274462      4.407423      0.762203
  C      -1.308029      4.454247      1.725018
  C      -0.076187      3.794110      1.489727
  C       0.912594      3.808940      2.450399
  C       0.713905      4.489766      3.675433
  C      -0.472114      5.148308      3.926145
  C      -1.516381      5.142003      2.964833
  C      -6.856996      1.249764      5.762709
  C      -6.785714      0.195965      4.631704
  C      -8.046349      0.115603      3.822935
  N      -8.285457      1.151445      3.017624
  C      -9.404310      1.122060      2.245035
  N     -10.300188      0.161718      2.190352
  C     -10.087532     -0.913645      3.005565
  C     -11.009079     -1.987990      2.977240
  C     -10.812802     -3.086491      3.787333
  C      -9.696985     -3.153503      4.656089
  C      -8.782002     -2.123361      4.701771
  C      -8.951226     -0.982045      3.876848
  H      -3.494661      2.315447      2.109306
  H      -1.871784      1.649287      2.317077
  H      -3.639823     -0.388890      3.268549
  H      -2.735220     -0.412102      1.766686
  H      -6.345942      2.160825     -0.526251
  H      -8.588305     -1.809095     -0.017743
  H      -8.182794     -3.898637      1.294603
  H      -6.137193     -4.114543      2.695914
  H      -4.503567     -2.272213      2.824250
  H      -5.147996      5.748779      4.520987
  H      -4.585576      6.606461      5.974845
  H      -3.540779      7.539476      4.017688
  H      -2.285943      6.763256      4.989630
  H      -4.196467      4.973051      0.292884
  H       0.054958      3.282729      0.535169
  H       1.860546      3.300847      2.265808
  H       1.511867      4.503461      4.419486
  H      -0.599998      5.683974      4.866657
  H      -7.410810      0.843014      6.624463
  H      -7.421937      2.119162      5.397688
  H      -5.987914      0.519378      3.949552
  H      -6.492482     -0.781213      5.033316
  H      -9.555955      1.990342      1.597610
  H     -11.862528     -1.913519      2.302470
  H     -11.523570     -3.914061      3.763235
  H      -9.562614     -4.030007      5.291396
  H      -7.924482     -2.190415      5.371173
  N      -5.523595      3.193630      3.786503
  N      -6.497754      3.369096      2.947949
  H      -6.277883      3.929868      2.121368
  H      -7.185615      2.561682      2.867926
90
Coordinates from ORCA-job orca E -6141.104810974341
  N      -2.948986      1.902497      4.092857
  Mo     -4.373380      2.838842      5.077040
  N      -5.521884      1.671699      6.183975
  C      -5.050353      1.132029      7.456769
  C      -3.531839      1.056467      7.426574
  N      -2.995010      2.288618      6.796327
  C      -1.665423      2.069695      6.169827
  C      -1.836165      1.327550      4.853291
  C      -3.012308      3.448718      7.723667
  C      -3.002957      4.738559      6.919895
  N      -3.929189      4.624140      5.793841
  H      -0.900794      1.424105      4.274514
  H      -1.990060      0.243624      5.021334
  H      -1.231964      3.057544      5.963236
  H      -0.992126      1.533891      6.860449
  H      -3.304853      5.574739      7.575449
  H      -1.978621      4.969918      6.572410
  H      -3.945199      3.387161      8.300341
  H      -2.165239      3.399171      8.428963
  H      -5.455243      0.119049      7.621523
  H      -5.404609      1.751725      8.302403
  H      -3.226261      0.210347      6.796295
  H      -3.100568      0.913821      8.432079
  C      -2.911739      1.573243      2.668848
  C      -3.473949      0.172902      2.339665
  C      -4.748052      0.178914      1.523658
  N      -5.031199      1.265012      0.819276
  C      -6.156806      1.249833      0.055062
  N      -7.035410      0.277610     -0.062314
  C      -6.778161     -0.852560      0.664148
  C      -7.697353     -1.928291      0.605911
  C      -7.463212     -3.077467      1.331565
  C      -6.304519     -3.197253      2.133295
  C      -5.392536     -2.163281      2.208488
  C      -5.610359     -0.964321      1.484452
  C      -4.283334      5.902012      5.180363
  C      -3.158075      6.563757      4.357789
  C      -2.789239      5.774021      3.131059
  N      -3.725180      5.691444      2.188925
  C      -3.413943      5.017002      1.051666
  N      -2.280104      4.412391      0.758670
  C      -1.312921      4.455721      1.720899
  C      -0.082141      3.794464      1.483205
  C       0.907390      3.805885      2.443140
  C       0.710616      4.484424      3.669756
  C      -0.474270      5.144121      3.922759
  C      -1.519315      5.141252      2.962272
  C      -6.857137      1.250337      5.762297
  C      -6.785785      0.196660      4.631207
  C      -8.046246      0.116696      3.822110
  N      -8.284767      1.152521      3.016611
  C      -9.403617      1.123660      2.243988
  N     -10.300000      0.163787      2.189407
  C     -10.087933     -0.911582      3.004766
  C     -11.010048     -1.985441      2.976552
  C     -10.814463     -3.083862      3.786922
  C      -9.698790     -3.151285      4.655835
  C      -8.783225     -2.121652      4.701365
  C      -8.951727     -0.980436      3.876151
  H      -3.492229      2.314970      2.110796
  H      -1.869416      1.648996      2.319580
  H      -3.637844     -0.388955      3.270915
  H      -2.732248     -0.412749      1.769608
  H      -6.343088      2.160105     -0.524418
  H      -8.584200     -1.810776     -0.017835
  H      -8.178356     -3.900595      1.293955
  H      -6.132929     -4.116374      2.695543
  H      -4.499875     -2.273601      2.824775
  H      -5.147981      5.749278      4.523015
  H      -4.584571      6.606593      5.976674
  H      -3.539402      7.539988      4.020471
  H      -2.284618      6.760947      4.990157
  H      -4.201953      4.981012      0.292273
  H       0.047548      3.284857      0.527499
  H       1.854502      3.296889      2.256721
  H       1.509187      4.495440      4.413202
  H      -0.600699      5.677995      4.864490
  H      -7.411403      0.843649      6.623803
  H      -7.421679      2.119950      5.397184
  H      -5.987730      0.519952      3.949317
  H      -6.492919     -0.780661      5.032761
  H      -9.554886      1.992021      1.596580
  H     -11.863439     -1.910632      2.301743
  H     -11.525673     -3.911060      3.762918
  H      -9.565047     -4.027662      5.291450
  H      -7.925897     -2.188953      5.370999
  N      -5.521821      3.193927      3.786667
  N      -6.495465      3.368980      2.947444
  H      -6.275391      3.929952      2.121039
  H      -7.183705      2.561812      2.867497
90
Coordinates from ORCA-job orca E -6141.104811545719
  N      -2.949164      1.903036      4.092459
  Mo     -4.373278      2.839440      5.077019
  N      -5.521731      1.672202      6.183902
  C      -5.049916      1.131857      7.456300
  C      -3.531400      1.056278      7.425689
  N      -2.994751      2.288710      6.795850
  C      -1.665196      2.070207      6.169149
  C      -1.835989      1.328283      4.852496
  C      -3.012185      3.448446      7.723648
  C      -3.002815      4.738615      6.920437
  N      -3.928845      4.624538      5.794195
  H      -0.900792      1.425323      4.273515
  H      -1.989426      0.244255      5.020322
  H      -1.232005      3.058194      5.962650
  H      -0.991713      1.534385      6.859576
  H      -3.304917      5.574474      7.576303
  H      -1.978452      4.970272      6.573217
  H      -3.945172      3.386608      8.300131
  H      -2.165238      3.398642      8.429072
  H      -5.454762      0.118790      7.620628
  H      -5.403964      1.751108      8.302343
  H      -3.226016      0.210453      6.794923
  H      -3.099838      0.913169      8.431006
  C      -2.912517      1.573341      2.668512
  C      -3.475157      0.172985      2.340147
  C      -4.749024      0.178746      1.523746
  N      -5.032394      1.264669      0.819203
  C      -6.157777      1.248967      0.054649
  N      -7.035972      0.276399     -0.062885
  C      -6.778542     -0.853574      0.663828
  C      -7.697350     -1.929627      0.605524
  C      -7.463027     -3.078595      1.331454
  C      -6.304480     -3.197862      2.133471
  C      -5.392835     -2.163592      2.208677
  C      -5.610888     -0.964828      1.484395
  C      -4.282957      5.902574      5.181030
  C      -3.157889      6.564296      4.358153
  C      -2.789274      5.774283      3.131537
  N      -3.725426      5.691333      2.189670
  C      -3.414506      5.016324      1.052655
  N      -2.280731      4.411602      0.759658
  C      -1.313295      4.455357      1.721616
  C      -0.082559      3.794027      1.483886
  C       0.907172      3.805784      2.443613
  C       0.710657      4.484748      3.670041
  C      -0.474188      5.144502      3.923071
  C      -1.519416      5.141330      2.962778
  C      -6.856861      1.250663      5.762110
  C      -6.785294      0.196448      4.631565
  C      -8.045437      0.116498      3.822014
  N      -8.283334      1.152183      3.016174
  C      -9.401925      1.123532      2.243174
  N     -10.298582      0.163921      2.188516
  C     -10.087150     -0.911324      3.004206
  C     -11.009594     -1.984896      2.975917
  C     -10.814678     -3.083149      3.786675
  C      -9.699387     -3.150681      4.656069
  C      -8.783506     -2.121333      4.701678
  C      -8.951296     -0.980314      3.876045
  H      -3.492995      2.315019      2.110399
  H      -1.870303      1.648668      2.318836
  H      -3.639767     -0.388006      3.271809
  H      -2.733468     -0.413524      1.770960
  H      -6.344333      2.159158     -0.524867
  H      -8.584069     -1.812506     -0.018479
  H      -8.177920     -3.901941      1.293834
  H      -6.132745     -4.116816      2.695950
  H      -4.500255     -2.273529      2.825155
  H      -5.147827      5.750019      4.523935
  H      -4.583874      6.607071      5.977533
  H      -3.539250      7.540473      4.020745
  H      -2.284270      6.761571      4.990285
  H      -4.202764      4.979778      0.293547
  H       0.046992      3.284104      0.528333
  H       1.854259      3.296750      2.257166
  H       1.509391      4.496032      4.413309
  H      -0.600398      5.678702      4.864644
  H      -7.411355      0.844349      6.623653
  H      -7.421283      2.120147      5.396508
  H      -5.986903      0.519209      3.949821
  H      -6.492827     -0.780777      5.033650
  H      -9.552704      1.991806      1.595535
  H     -11.862708     -1.909993      2.300768
  H     -11.526124     -3.910143      3.762595
  H      -9.566212     -4.026907      5.292012
  H      -7.926502     -2.188710      5.371720
  N      -5.521738      3.194869      3.786716
  N      -6.495480      3.369321      2.947485
  H      -6.276213      3.931562      2.121736
  H      -7.183175      2.561663      2.866950
