78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.489496481270
  N      -3.625125     -3.702791      3.289062
  C      -3.319915     -4.353675      2.017845
  C      -2.671608     -5.701165      2.319069
  N      -3.461816     -6.404242      3.358815
  C      -4.688548     -6.991461      2.755225
  C      -5.874172     -6.607531      3.644860
  N      -5.679030     -5.241396      4.079514
  Mo     -3.875525     -4.866720      4.860842
  N      -2.459951     -5.979365      5.750828
  C      -1.669079     -6.901082      4.949025
  C      -2.646786     -7.495884      3.941349
  H      -1.258689     -7.705903      5.567777
  H      -0.833684     -6.391437      4.452488
  H      -3.321814     -8.170923      4.479982
  H      -2.124387     -8.055203      3.157414
  H      -6.827418     -6.748922      3.128269
  H      -5.882905     -7.234084      4.550456
  H      -4.826763     -6.593605      1.747577
  H      -4.603759     -8.077370      2.668180
  H      -2.627479     -3.743421      1.428150
  H      -4.241428     -4.482094      1.433523
  H      -1.660283     -5.528460      2.699536
  H      -2.599473     -6.307512      1.409207
  C      -4.065226     -2.423953      3.223898
  C      -4.420814     -1.805688      2.003731
  C      -4.859519     -0.506410      1.930200
  Cl     -5.331313      0.113214      0.397039
  C      -4.896692      0.324952      3.084772
  C      -5.383486      1.707462      3.025011
  O      -6.161353      2.125319      2.181178
  C      -4.876595      2.694829      4.064325
  O      -3.962674      2.518049      4.824212
  C      -4.520077     -0.246400      4.284838
  C      -4.162509     -1.601189      4.408784
  C      -3.992466     -2.101388      5.718109
  O      -3.961136     -3.332616      5.991331
  C      -6.574269     -4.260509      3.815226
  C      -6.728676     -3.260280      4.801717
  C      -7.523515     -2.151822      4.630319
  Cl     -7.572438     -0.981685      5.891903
  C      -8.268102     -1.972876      3.441656
  C      -9.065065     -0.775197      3.189960
  O      -9.394576      0.037264      4.043248
  C      -9.458260     -0.464335      1.756107
  O      -8.841247     -0.784733      0.775910
  C      -8.215992     -3.017060      2.516975
  C      -7.397818     -4.129103      2.653429
  C      -7.393404     -5.025391      1.485585
  O      -8.321404     -5.164201      0.725881
  C      -2.083563     -5.782389      7.032459
  C      -0.757970     -5.967015      7.473252
  C      -0.384048     -5.712901      8.775497
  Cl      1.277479     -5.876038      9.186392
  C      -1.328116     -5.284983      9.744770
  C      -0.925616     -4.970112     11.120708
  O       0.071542     -5.409970     11.670219
  C      -1.781395     -3.978962     11.893223
  O      -2.603550     -3.242253     11.417347
  C      -2.658143     -5.198349      9.344620
  C      -3.057127     -5.436217      8.029079
  C      -4.444920     -5.540900      7.695712
  O      -4.868051     -5.634249      6.534479
  H      -4.390750     -2.350246      1.076935
  H      -5.427608      3.650377      4.008945
  H      -4.557911      0.340030      5.187852
  H      -3.963338     -1.393052      6.549503
  H      -6.260191     -3.408221      5.765921
  H     -10.345562      0.191964      1.707558
  H      -8.814632     -2.966538      1.620379
  H      -6.441086     -5.541470      1.284149
  H       0.013173     -6.261687      6.781799
  H      -1.514469     -3.960746     12.964347
  H      -3.418124     -4.953102     10.068456
  H      -5.163740     -5.599946      8.522126
  N      -1.984818     -3.887471      4.917396
  N      -0.875663     -3.313009      4.950573
  H      -0.010539     -3.825776      4.779693
  H      -0.804035     -2.315072      5.149471
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.516991617679
  N      -3.620664     -3.668335      3.267579
  C      -3.328962     -4.346734      2.000809
  C      -2.676749     -5.695070      2.306943
  N      -3.454449     -6.404853      3.363909
  C      -4.702015     -6.989847      2.776061
  C      -5.880181     -6.597013      3.673273
  N      -5.697299     -5.217579      4.104947
  Mo     -3.857047     -4.839219      4.869919
  N      -2.439330     -5.995896      5.778441
  C      -1.660601     -6.918989      4.962062
  C      -2.637070     -7.501382      3.952190
  H      -1.254625     -7.733342      5.577537
  H      -0.816439     -6.410453      4.465943
  H      -3.317524     -8.172220      4.492109
  H      -2.120934     -8.068341      3.162523
  H      -6.839989     -6.748023      3.162275
  H      -5.880097     -7.227467      4.579945
  H      -4.849645     -6.593332      1.765332
  H      -4.615637     -8.080947      2.691781
  H      -2.639383     -3.743148      1.392403
  H      -4.257810     -4.484819      1.421431
  H      -1.660469     -5.521612      2.678409
  H      -2.614938     -6.311014      1.396685
  C      -4.056078     -2.380337      3.207963
  C      -4.413994     -1.764213      1.982617
  C      -4.856524     -0.460790      1.904476
  Cl     -5.322002      0.124265      0.348340
  C      -4.892670      0.380451      3.063037
  C      -5.383129      1.771584      3.034558
  O      -6.182499      2.218031      2.217272
  C      -4.862426      2.765282      4.078243
  O      -3.921220      2.600091      4.822020
  C      -4.509354     -0.199476      4.267280
  C      -4.154001     -1.555261      4.398524
  C      -4.001733     -2.048130      5.724199
  O      -3.967039     -3.286132      6.021599
  C      -6.615693     -4.242490      3.836091
  C      -6.813782     -3.238262      4.820187
  C      -7.631409     -2.144824      4.630236
  Cl     -7.704240     -0.989751      5.914155
  C      -8.356871     -1.975195      3.413270
  C      -9.178025     -0.796864      3.101441
  O      -9.583137      0.034588      3.913149
  C      -9.514630     -0.506060      1.638073
  O      -8.833409     -0.809462      0.683289
  C      -8.258996     -3.028715      2.494910
  C      -7.423152     -4.132574      2.655854
  C      -7.363177     -5.040403      1.494527
  O      -8.268674     -5.206893      0.694327
  C      -2.057209     -5.815051      7.065150
  C      -0.730080     -6.033520      7.501170
  C      -0.343801     -5.794982      8.807862
  Cl      1.330317     -6.001465      9.173180
  C      -1.277433     -5.347068      9.794332
  C      -0.893692     -5.047569     11.187839
  O       0.079052     -5.515349     11.774478
  C      -1.734868     -4.034002     11.967254
  O      -2.530993     -3.254317     11.491077
  C      -2.610110     -5.224498      9.386358
  C      -3.019604     -5.446324      8.069423
  C      -4.411284     -5.516584      7.743011
  O      -4.850499     -5.600445      6.570527
  H      -4.384658     -2.321458      1.052155
  H      -5.430739      3.723929      4.036599
  H      -4.550242      0.390190      5.177412
  H      -3.982752     -1.328647      6.552265
  H      -6.354170     -3.373335      5.794251
  H     -10.420328      0.138035      1.543248
  H      -8.836976     -2.991506      1.576230
  H      -6.384670     -5.544907      1.329822
  H       0.035855     -6.343755      6.796096
  H      -1.476516     -4.038649     13.051807
  H      -3.370911     -4.965454     10.117013
  H      -5.130571     -5.565580      8.577085
  N      -1.932453     -3.877930      4.866529
  N      -0.814061     -3.323412      4.867258
  H       0.058347     -3.849484      4.682811
  H      -0.716266     -2.311982      5.052810
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.530807268612
  N      -3.617109     -3.643143      3.225816
  C      -3.325347     -4.352913      1.974708
  C      -2.657821     -5.692834      2.295306
  N      -3.419816     -6.414139      3.363638
  C      -4.681066     -7.003062      2.787630
  C      -5.862634     -6.606139      3.679781
  N      -5.707260     -5.214418      4.105772
  Mo     -3.836261     -4.819224      4.866131
  N      -2.413786     -6.014858      5.810553
  C      -1.633273     -6.925156      4.980815
  C      -2.595933     -7.504220      3.962375
  H      -1.225900     -7.745339      5.591191
  H      -0.785134     -6.407684      4.492784
  H      -3.280799     -8.176911      4.496016
  H      -2.077780     -8.071930      3.171193
  H      -6.821699     -6.775911      3.168097
  H      -5.857249     -7.236161      4.588432
  H      -4.828302     -6.611423      1.773287
  H      -4.584652     -8.096092      2.709390
  H      -2.641974     -3.755328      1.348748
  H      -4.254357     -4.511885      1.396618
  H      -1.641495     -5.510482      2.665571
  H      -2.595698     -6.318632      1.388738
  C      -4.057519     -2.356386      3.167103
  C      -4.408948     -1.747897      1.932816
  C      -4.860577     -0.444749      1.847544
  Cl     -5.316905      0.124840      0.276987
  C      -4.914529      0.399383      3.001937
  C      -5.418495      1.784597      2.981338
  O      -6.212614      2.241552      2.159339
  C      -4.919719      2.797177      4.029897
  O      -3.973971      2.659271      4.781702
  C      -4.537552     -0.179730      4.214898
  C      -4.173159     -1.531692      4.360617
  C      -4.044555     -2.005827      5.702936
  O      -3.998397     -3.241732      6.041410
  C      -6.638043     -4.242643      3.842427
  C      -6.822524     -3.235253      4.830772
  C      -7.640700     -2.140126      4.645893
  Cl     -7.693049     -0.984428      5.938730
  C      -8.376637     -1.961692      3.434368
  C      -9.194698     -0.781929      3.123063
  O      -9.600920      0.058912      3.931008
  C      -9.530557     -0.460193      1.657865
  O      -8.843967     -0.740888      0.693065
  C      -8.287602     -3.014931      2.511337
  C      -7.455085     -4.127979      2.663873
  C      -7.392057     -5.030867      1.501965
  O      -8.294451     -5.190148      0.684851
  C      -2.041581     -5.846013      7.100334
  C      -0.717604     -6.089462      7.547947
  C      -0.341672     -5.858659      8.861125
  Cl      1.332987     -6.094131      9.233637
  C      -1.272279     -5.396900      9.845192
  C      -0.906020     -5.118813     11.245915
  O       0.054863     -5.603592     11.848139
  C      -1.728993     -4.095608     12.045607
  O      -2.506923     -3.280465     11.586153
  C      -2.600783     -5.244730      9.420805
  C      -3.006073     -5.456152      8.099631
  C      -4.396017     -5.500386      7.770523
  O      -4.843251     -5.580597      6.589876
  H      -4.367066     -2.317163      1.005234
  H      -5.508426      3.747758      3.974818
  H      -4.595846      0.416404      5.125264
  H      -4.053068     -1.269898      6.518633
  H      -6.338171     -3.367560      5.796410
  H     -10.432367      0.198378      1.578612
  H      -8.868032     -2.968674      1.590485
  H      -6.411603     -5.539893      1.341677
  H       0.049992     -6.411114      6.844067
  H      -1.465902     -4.127180     13.132965
  H      -3.365783     -4.973970     10.149006
  H      -5.120873     -5.539146      8.602479
  N      -1.894056     -3.861589      4.815221
  N      -0.776966     -3.316722      4.786888
  H       0.104342     -3.841264      4.595773
  H      -0.661286     -2.297913      4.954450
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.537729803548
  N      -3.630229     -3.612660      3.197237
  C      -3.354977     -4.346919      1.960911
  C      -2.671633     -5.675101      2.288919
  N      -3.409667     -6.402707      3.369899
  C      -4.684570     -6.986640      2.812331
  C      -5.857560     -6.591557      3.709715
  N      -5.724696     -5.197240      4.132302
  Mo     -3.822574     -4.786006      4.874467
  N      -2.397129     -6.021622      5.838743
  C      -1.616909     -6.908046      4.985682
  C      -2.576333     -7.485343      3.965616
  H      -1.196111     -7.733874      5.580149
  H      -0.775652     -6.375058      4.501105
  H      -3.259743     -8.163560      4.494518
  H      -2.060989     -8.048617      3.169142
  H      -6.817028     -6.776269      3.202757
  H      -5.843597     -7.221834      4.618224
  H      -4.837438     -6.593357      1.798805
  H      -4.584209     -8.079132      2.733063
  H      -2.683070     -3.759339      1.312099
  H      -4.289110     -4.520894      1.395004
  H      -1.653212     -5.485474      2.650264
  H      -2.616170     -6.307817      1.386276
  C      -4.059253     -2.326952      3.141462
  C      -4.407493     -1.721024      1.903791
  C      -4.850267     -0.414875      1.817058
  Cl     -5.302838      0.155044      0.242791
  C      -4.897963      0.430396      2.967285
  C      -5.397116      1.812564      2.958061
  O      -6.189116      2.285626      2.141908
  C      -4.899089      2.824461      4.012256
  O      -3.945470      2.695005      4.755703
  C      -4.521130     -0.149125      4.181608
  C      -4.165598     -1.502004      4.335774
  C      -4.052172     -1.957467      5.686727
  O      -4.010223     -3.183294      6.067953
  C      -6.667546     -4.241755      3.867187
  C      -6.877151     -3.235981      4.853600
  C      -7.710193     -2.156135      4.653027
  Cl     -7.800866     -0.996854      5.945661
  C      -8.427274     -1.985676      3.430047
  C      -9.248113     -0.820279      3.094801
  O      -9.688526      0.023240      3.883229
  C      -9.548312     -0.493362      1.620525
  O      -8.829486     -0.754605      0.673742
  C      -8.309710     -3.036538      2.508111
  C      -7.470555     -4.142773      2.677572
  C      -7.360048     -5.046536      1.524892
  O      -8.230520     -5.217484      0.673624
  C      -2.027130     -5.867581      7.125180
  C      -0.707467     -6.140199      7.577560
  C      -0.335199     -5.920366      8.892488
  Cl      1.338457     -6.181911      9.267987
  C      -1.257023     -5.445432      9.876929
  C      -0.903837     -5.194185     11.280561
  O       0.040519     -5.700980     11.892524
  C      -1.717073     -4.174223     12.098581
  O      -2.477227     -3.333783     11.655831
  C      -2.578679     -5.256434      9.445677
  C      -2.986014     -5.454444      8.122826
  C      -4.375155     -5.467892      7.799791
  O      -4.838079     -5.541982      6.622648
  H      -4.370620     -2.299975      0.982069
  H      -5.494349      3.770614      3.957743
  H      -4.577152      0.453690      5.088411
  H      -4.073504     -1.204164      6.486000
  H      -6.392884     -3.356970      5.819531
  H     -10.451388      0.160453      1.524814
  H      -8.868094     -2.991257      1.572790
  H      -6.374961     -5.560478      1.409408
  H       0.055316     -6.471455      6.873533
  H      -1.456028     -4.235687     13.184857
  H      -3.339192     -4.971070     10.173936
  H      -5.098803     -5.490338      8.632860
  N      -1.874846     -3.847537      4.774529
  N      -0.759306     -3.311446      4.709145
  H       0.122242     -3.835578      4.508247
  H      -0.624922     -2.290235      4.855116
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.541876497417
  N      -3.642265     -3.603783      3.160931
  C      -3.371499     -4.355730      1.939506
  C      -2.662998     -5.665099      2.278937
  N      -3.378647     -6.398231      3.369532
  C      -4.658915     -6.988144      2.828559
  C      -5.831720     -6.596113      3.724391
  N      -5.722883     -5.199349      4.137796
  Mo     -3.804363     -4.766036      4.871008
  N      -2.378379     -6.026562      5.859904
  C      -1.582636     -6.878385      4.989454
  C      -2.530591     -7.465645      3.965256
  H      -1.139393     -7.704304      5.567638
  H      -0.755266     -6.319577      4.511434
  H      -3.206697     -8.156192      4.487664
  H      -2.007161     -8.020343      3.168179
  H      -6.788524     -6.802536      3.220197
  H      -5.811129     -7.220438      4.637150
  H      -4.813190     -6.600677      1.813670
  H      -4.551190     -8.080087      2.753320
  H      -2.714190     -3.773696      1.270304
  H      -4.307128     -4.550920      1.383196
  H      -1.646149     -5.457647      2.634738
  H      -2.602616     -6.304920      1.381483
  C      -4.072058     -2.323622      3.102439
  C      -4.416554     -1.723882      1.859424
  C      -4.861016     -0.420291      1.766517
  Cl     -5.298042      0.148584      0.186998
  C      -4.919673      0.427835      2.912551
  C      -5.427445      1.803549      2.904433
  O      -6.211775      2.279194      2.082524
  C      -4.941645      2.820062      3.961738
  O      -3.984012      2.706922      4.700419
  C      -4.546908     -0.145886      4.130461
  C      -4.185572     -1.496571      4.294464
  C      -4.081484     -1.930316      5.651303
  O      -4.031027     -3.140492      6.073573
  C      -6.668833     -4.249391      3.882574
  C      -6.839386     -3.232883      4.866085
  C      -7.660403     -2.144294      4.674536
  Cl     -7.704509     -0.969697      5.958064
  C      -8.404249     -1.972012      3.469471
  C      -9.215332     -0.801938      3.140846
  O      -9.635919      0.053686      3.926808
  C      -9.532639     -0.473194      1.669793
  O      -8.828357     -0.736707      0.714570
  C      -8.318655     -3.026330      2.548748
  C      -7.493037     -4.143717      2.705541
  C      -7.403652     -5.042046      1.550613
  O      -8.269172     -5.175819      0.688687
  C      -2.019441     -5.883209      7.144945
  C      -0.706862     -6.174505      7.612641
  C      -0.349062     -5.962619      8.930628
  Cl      1.319922     -6.236797      9.324969
  C      -1.274243     -5.481892      9.908294
  C      -0.944539     -5.258642     11.318647
  O      -0.015068     -5.780856     11.939674
  C      -1.758637     -4.244631     12.145688
  O      -2.499030     -3.383953     11.712940
  C      -2.585760     -5.266915      9.461312
  C      -2.982030     -5.454430      8.133290
  C      -4.367978     -5.447751      7.804913
  O      -4.836865     -5.519779      6.631881
  H      -4.373699     -2.311272      0.944243
  H      -5.553776      3.754644      3.907722
  H      -4.610959      0.463267      5.031933
  H      -4.122901     -1.157674      6.431819
  H      -6.318184     -3.346979      5.813521
  H     -10.429781      0.189593      1.590022
  H      -8.887723     -2.970941      1.620681
  H      -6.426510     -5.563249      1.423117
  H       0.059340     -6.508627      6.915093
  H      -1.511007     -4.335311     13.232412
  H      -3.348852     -4.973237     10.182620
  H      -5.095007     -5.455804      8.635396
  N      -1.871837     -3.842178      4.748362
  N      -0.761236     -3.301304      4.653679
  H       0.122855     -3.819939      4.452308
  H      -0.623275     -2.277635      4.777023
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.545324828010
  N      -3.660387     -3.590686      3.138198
  C      -3.402434     -4.353493      1.925821
  C      -2.672419     -5.646469      2.270398
  N      -3.365877     -6.379914      3.372062
  C      -4.652108     -6.971316      2.850867
  C      -5.816209     -6.584712      3.754995
  N      -5.724496     -5.188725      4.160367
  Mo     -3.788784     -4.737322      4.876177
  N      -2.366405     -6.026430      5.876567
  C      -1.561498     -6.845362      4.985837
  C      -2.505406     -7.437655      3.960710
  H      -1.094795     -7.672893      5.542825
  H      -0.750562     -6.262413      4.511255
  H      -3.172327     -8.139890      4.479101
  H      -1.977341     -7.983688      3.160978
  H      -6.773166     -6.809487      3.258580
  H      -5.784864     -7.204485      4.670835
  H      -4.815529     -6.586246      1.836896
  H      -4.542522     -8.062785      2.775321
  H      -2.760891     -3.777767      1.235901
  H      -4.343016     -4.563103      1.383765
  H      -1.655204     -5.423908      2.615411
  H      -2.611582     -6.291984      1.377111
  C      -4.076997     -2.310759      3.078624
  C      -4.420155     -1.711798      1.833160
  C      -4.850443     -0.406002      1.737122
  Cl     -5.283176      0.168682      0.159537
  C      -4.899832      0.446910      2.879678
  C      -5.402479      1.822624      2.870483
  O      -6.180275      2.302212      2.045583
  C      -4.915532      2.837075      3.929153
  O      -3.948640      2.731273      4.653805
  C      -4.528453     -0.123893      4.097585
  C      -4.177254     -1.477875      4.267466
  C      -4.077978     -1.894311      5.627044
  O      -4.031218     -3.088499      6.083792
  C      -6.676294     -4.251431      3.902128
  C      -6.861528     -3.234035      4.883138
  C      -7.693413     -2.156758      4.684200
  Cl     -7.765872     -0.977531      5.962704
  C      -8.429896     -1.992784      3.475426
  C      -9.247534     -0.831540      3.140292
  O      -9.683693      0.019236      3.922022
  C      -9.542680     -0.495427      1.666184
  O      -8.817216     -0.736354      0.723239
  C      -8.329748     -3.046811      2.556565
  C      -7.499359     -4.158073      2.722272
  C      -7.389128     -5.055548      1.569573
  O      -8.244212     -5.205690      0.702314
  C      -2.010774     -5.895532      7.159407
  C      -0.704883     -6.209632      7.636306
  C      -0.353953     -6.008556      8.955331
  Cl      1.308262     -6.302755      9.364721
  C      -1.277036     -5.520038      9.930577
  C      -0.959221     -5.328511     11.346201
  O      -0.041627     -5.872209     11.964607
  C      -1.769079     -4.322263     12.188154
  O      -2.489190     -3.439552     11.771225
  C      -2.579066     -5.275457      9.475665
  C      -2.970108     -5.449418      8.143764
  C      -4.354595     -5.415499      7.815382
  O      -4.833958     -5.482724      6.649867
  H      -4.387358     -2.306779      0.923704
  H      -5.532025      3.767974      3.876377
  H      -4.585840      0.491378      4.994200
  H      -4.124163     -1.102972      6.389285
  H      -6.339283     -3.339365      5.829793
  H     -10.444926      0.158293      1.579665
  H      -8.889165     -2.994802      1.623389
  H      -6.425657     -5.607903      1.481289
  H       0.060919     -6.548360      6.942147
  H      -1.529696     -4.444244     13.272977
  H      -3.340095     -4.970999     10.193155
  H      -5.079446     -5.404221      8.648160
  N      -1.885040     -3.842116      4.736987
  N      -0.780320     -3.291099      4.607928
  H       0.103330     -3.805131      4.406539
  H      -0.646213     -2.265966      4.707332
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.549137784363
  N      -3.678403     -3.581079      3.122853
  C      -3.432139     -4.349571      1.915327
  C      -2.680574     -5.627589      2.262335
  N      -3.353050     -6.359624      3.375368
  C      -4.644389     -6.953709      2.875187
  C      -5.799116     -6.571732      3.789724
  N      -5.719562     -5.176808      4.184543
  Mo     -3.768761     -4.709425      4.883805
  N      -2.354149     -6.030125      5.891582
  C      -1.542652     -6.819967      4.982936
  C      -2.483328     -7.411915      3.955363
  H      -1.056064     -7.650669      5.517631
  H      -0.746446     -6.215793      4.512901
  H      -3.141803     -8.124924      4.469426
  H      -1.950471     -7.949613      3.153312
  H      -6.756808     -6.814061      3.302465
  H      -5.756507     -7.185615      4.709434
  H      -4.819771     -6.573051      1.861806
  H      -4.534978     -8.045135      2.800401
  H      -2.807789     -3.777818      1.206527
  H      -4.377977     -4.572430      1.388367
  H      -1.662560     -5.389720      2.594278
  H      -2.619439     -6.278072      1.372716
  C      -4.085393     -2.301879      3.061537
  C      -4.432614     -1.704647      1.813963
  C      -4.853466     -0.398787      1.713993
  Cl     -5.285950      0.178967      0.139374
  C      -4.894296      0.460949      2.853735
  C      -5.395456      1.837225      2.840521
  O      -6.169777      2.315424      2.012862
  C      -4.907026      2.850273      3.898735
  O      -3.934793      2.747229      4.614219
  C      -4.520039     -0.104254      4.070700
  C      -4.173630     -1.460818      4.245932
  C      -4.070029     -1.859995      5.607628
  O      -4.021230     -3.036995      6.095573
  C      -6.675665     -4.250457      3.922027
  C      -6.862756     -3.220486      4.891020
  C      -7.698008     -2.149152      4.680742
  Cl     -7.776525     -0.951739      5.941170
  C      -8.436610     -2.001623      3.472206
  C      -9.256988     -0.846332      3.124759
  O      -9.698784      0.008731      3.897205
  C      -9.547201     -0.527079      1.646327
  O      -8.816595     -0.772073      0.710429
  C      -8.334369     -3.065004      2.565094
  C      -7.504113     -4.173328      2.743777
  C      -7.391476     -5.081226      1.598646
  O      -8.222656     -5.202832      0.706471
  C      -1.999902     -5.911613      7.172933
  C      -0.701409     -6.249992      7.658129
  C      -0.354915     -6.060798      8.977754
  Cl      1.299008     -6.378863      9.400159
  C      -1.275373     -5.561830      9.951618
  C      -0.967064     -5.399215     11.372721
  O      -0.063385     -5.967068     11.987867
  C      -1.773427     -4.398846     12.225671
  O      -2.475614     -3.498095     11.821216
  C      -2.567144     -5.286483      9.490199
  C      -2.953533     -5.446878      8.154598
  C      -4.336577     -5.381425      7.826469
  O      -4.826115     -5.443717      6.668548
  H      -4.410202     -2.306588      0.909647
  H      -5.533827      3.774405      3.856003
  H      -4.569694      0.516922      4.962832
  H      -4.115787     -1.049126      6.350593
  H      -6.334117     -3.310666      5.834802
  H     -10.455511      0.116530      1.550802
  H      -8.891679     -3.022762      1.630565
  H      -6.423856     -5.625623      1.512222
  H       0.063264     -6.595607      6.967116
  H      -1.547921     -4.551465     13.309395
  H      -3.325332     -4.968667     10.203888
  H      -5.056508     -5.347686      8.663777
  N      -1.915591     -3.853116      4.743399
  N      -0.822153     -3.277691      4.576126
  H       0.063144     -3.780772      4.376574
  H      -0.707632     -2.251204      4.654644
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.553583033172
  N      -3.691271     -3.574899      3.115110
  C      -3.449823     -4.342143      1.906702
  C      -2.676296     -5.607914      2.254241
  N      -3.333224     -6.339885      3.375510
  C      -4.625049     -6.940304      2.889057
  C      -5.776163     -6.563616      3.810444
  N      -5.705113     -5.168970      4.194525
  Mo     -3.745229     -4.686153      4.888296
  N      -2.342593     -6.038700      5.901913
  C      -1.524317     -6.806920      4.982937
  C      -2.459296     -7.391835      3.948750
  H      -1.025852     -7.642436      5.498746
  H      -0.737013     -6.186586      4.520599
  H      -3.112785     -8.113375      4.456740
  H      -1.919920     -7.922029      3.146079
  H      -6.733073     -6.821524      3.328631
  H      -5.725434     -7.171727      4.733956
  H      -4.810389     -6.565512      1.875636
  H      -4.515128     -8.031916      2.815751
  H      -2.842091     -3.768605      1.185321
  H      -4.398967     -4.578037      1.391901
  H      -1.658269     -5.354410      2.574735
  H      -2.611707     -6.261294      1.367022
  C      -4.093989     -2.297012      3.052019
  C      -4.447316     -1.700901      1.802534
  C      -4.864115     -0.396835      1.698044
  Cl     -5.298079      0.180393      0.126310
  C      -4.899882      0.471056      2.836603
  C      -5.403605      1.848925      2.815592
  O      -6.177196      2.319673      1.984367
  C      -4.914398      2.862432      3.871063
  O      -3.933707      2.762435      4.574616
  C      -4.521599     -0.087683      4.052100
  C      -4.174990     -1.446128      4.231519
  C      -4.062390     -1.831452      5.595279
  O      -4.007867     -2.993370      6.105633
  C      -6.663441     -4.249638      3.927645
  C      -6.833279     -3.200337      4.880437
  C      -7.664402     -2.127103      4.665470
  Cl     -7.717681     -0.907112      5.903325
  C      -8.421284     -1.996719      3.465866
  C      -9.242680     -0.841691      3.111845
  O      -9.671668      0.024201      3.877886
  C      -9.546994     -0.550192      1.631231
  O      -8.824113     -0.812262      0.694823
  C      -8.336113     -3.074986      2.575032
  C      -7.509269     -4.184532      2.759354
  C      -7.420687     -5.105780      1.619683
  O      -8.268554     -5.234388      0.745897
  C      -1.990979     -5.930758      7.183943
  C      -0.700243     -6.290676      7.677961
  C      -0.357305     -6.112871      8.998470
  Cl      1.287102     -6.456143      9.432298
  C      -1.277123     -5.601973      9.970649
  C      -0.976117     -5.461151     11.397770
  O      -0.085396     -6.050655     12.009985
  C      -1.777223     -4.459515     12.254012
  O      -2.459799     -3.542311     11.854116
  C      -2.558752     -5.299743      9.502221
  C      -2.939214     -5.449141      8.162892
  C      -4.320039     -5.352473      7.832260
  O      -4.814222     -5.410181      6.678399
  H      -4.432746     -2.307463      0.901313
  H      -5.544090      3.785005      3.831703
  H      -4.565174      0.537304      4.941513
  H      -4.105472     -1.003078      6.320924
  H      -6.288793     -3.275304      5.816994
  H     -10.455850      0.092878      1.532732
  H      -8.904693     -3.044276      1.646733
  H      -6.470797     -5.680444      1.539075
  H       0.064274     -6.644697      6.990921
  H      -1.563882     -4.630906     13.337851
  H      -3.315684     -4.968490     10.210889
  H      -5.034415     -5.296423      8.674322
  N      -1.970691     -3.879197      4.772490
  N      -0.898923     -3.254808      4.565713
  H      -0.006353     -3.733575      4.371011
  H      -0.830134     -2.227438      4.631266
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.557446663018
  N      -3.707667     -3.566078      3.118971
  C      -3.471295     -4.333890      1.907689
  C      -2.680153     -5.591237      2.254761
  N      -3.324131     -6.321943      3.384283
  C      -4.616584     -6.930533      2.908895
  C      -5.763553     -6.555959      3.837731
  N      -5.697363     -5.156645      4.206265
  Mo     -3.726046     -4.662636      4.899857
  N      -2.336613     -6.052084      5.916096
  C      -1.513016     -6.802531      4.989384
  C      -2.446209     -7.377384      3.949941
  H      -1.005358     -7.641835      5.489886
  H      -0.731486     -6.168559      4.532913
  H      -3.096967     -8.104269      4.453600
  H      -1.905512     -7.900603      3.143482
  H      -6.721392     -6.826655      3.364431
  H      -5.701356     -7.156532      4.765634
  H      -4.814082     -6.562070      1.895336
  H      -4.504036     -8.022194      2.838306
  H      -2.878022     -3.756853      1.177615
  H      -4.423560     -4.582086      1.405088
  H      -1.661735     -5.324734      2.564365
  H      -2.614170     -6.248528      1.370565
  C      -4.100578     -2.287055      3.053153
  C      -4.457098     -1.692862      1.801219
  C      -4.867014     -0.388038      1.690341
  Cl     -5.305728      0.181091      0.118290
  C      -4.894036      0.489258      2.825751
  C      -5.395497      1.870177      2.795886
  O      -6.168180      2.336184      1.961326
  C      -4.902882      2.886805      3.846238
  O      -3.916876      2.786386      4.544392
  C      -4.512492     -0.064197      4.041158
  C      -4.171322     -1.424158      4.227246
  C      -4.049897     -1.797014      5.595527
  O      -3.991878     -2.950730      6.120388
  C      -6.658673     -4.245437      3.923037
  C      -6.828262     -3.180513      4.859193
  C      -7.660740     -2.109850      4.633472
  Cl     -7.707673     -0.874229      5.854909
  C      -8.424187     -1.998529      3.435081
  C      -9.250560     -0.848127      3.069134
  O      -9.677460      0.025886      3.826776
  C      -9.557260     -0.577878      1.584581
  O      -8.832769     -0.851801      0.651294
  C      -8.342117     -3.091684      2.562027
  C      -7.513730     -4.198830      2.759329
  C      -7.439930     -5.136088      1.629238
  O      -8.289952     -5.256225      0.755009
  C      -1.982206     -5.953189      7.197820
  C      -0.694463     -6.329945      7.690311
  C      -0.347140     -6.166098      9.011412
  Cl      1.291717     -6.537228      9.441729
  C      -1.261294     -5.647349      9.988149
  C      -0.958590     -5.526531     11.418384
  O      -0.074998     -6.134598     12.023726
  C      -1.748465     -4.524892     12.284876
  O      -2.418009     -3.592542     11.894378
  C      -2.537540     -5.322145      9.520535
  C      -2.920909     -5.459462      8.180200
  C      -4.299243     -5.328592      7.851441
  O      -4.796717     -5.376615      6.695631
  H      -4.453450     -2.304387      0.902616
  H      -5.537065      3.807106      3.816067
  H      -4.547439      0.564620      4.928711
  H      -4.082571     -0.955933      6.308301
  H      -6.284077     -3.242213      5.797694
  H     -10.472222      0.055651      1.475178
  H      -8.916754     -3.078026      1.636715
  H      -6.494218     -5.717345      1.546342
  H       0.066315     -6.690471      7.001398
  H      -1.543605     -4.714793     13.367963
  H      -3.290014     -4.979844     10.229411
  H      -5.006521     -5.247228      8.697910
  N      -2.020883     -3.902479      4.810172
  N      -0.983911     -3.212111      4.562719
  H      -0.074622     -3.651512      4.382537
  H      -0.985044     -2.184847      4.605784
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.561386767120
  N      -3.727995     -3.552767      3.124789
  C      -3.495324     -4.324978      1.912619
  C      -2.687018     -5.573842      2.259137
  N      -3.316723     -6.305642      3.396622
  C      -4.611561     -6.922622      2.932379
  C      -5.754790     -6.547094      3.868071
  N      -5.692990     -5.140785      4.219174
  Mo     -3.706602     -4.639684      4.913115
  N      -2.330607     -6.071728      5.936221
  C      -1.500113     -6.800568      4.999745
  C      -2.432103     -7.364866      3.953161
  H      -0.981391     -7.642651      5.484088
  H      -0.725019     -6.150672      4.550394
  H      -3.080125     -8.097956      4.451261
  H      -1.892302     -7.878281      3.139666
  H      -6.714811     -6.828006      3.405122
  H      -5.679595     -7.138525      4.800752
  H      -4.820818     -6.560335      1.918725
  H      -4.494532     -8.014073      2.865043
  H      -2.916501     -3.743820      1.174758
  H      -4.449981     -4.587938      1.422649
  H      -1.668922     -5.293920      2.559056
  H      -2.619661     -6.235351      1.378178
  C      -4.113234     -2.273193      3.055282
  C      -4.472014     -1.682339      1.800730
  C      -4.878453     -0.376501      1.683384
  Cl     -5.319128      0.180668      0.107536
  C      -4.900854      0.508586      2.814563
  C      -5.400795      1.890724      2.778395
  O      -6.172302      2.355014      1.940934
  C      -4.911236      2.910770      3.827444
  O      -3.917210      2.816302      4.517996
  C      -4.516758     -0.040519      4.031242
  C      -4.177981     -1.399768      4.224765
  C      -4.045019     -1.759852      5.598045
  O      -3.976334     -2.908980      6.133864
  C      -6.655641     -4.236366      3.917600
  C      -6.809266     -3.146431      4.827510
  C      -7.635346     -2.073653      4.584476
  Cl     -7.654371     -0.810176      5.778249
  C      -8.412366     -1.987560      3.391662
  C      -9.236590     -0.840941      3.005759
  O      -9.653300      0.052959      3.746329
  C      -9.561066     -0.607622      1.517950
  O      -8.844579     -0.905874      0.583730
  C      -8.346883     -3.103931      2.546774
  C      -7.523816     -4.213277      2.762785
  C      -7.475608     -5.179960      1.655583
  O      -8.337280     -5.305594      0.790795
  C      -1.971577     -5.982646      7.216642
  C      -0.683160     -6.369571      7.704027
  C      -0.331744     -6.222251      9.026433
  Cl      1.305071     -6.616526      9.447772
  C      -1.241255     -5.703740     10.009823
  C      -0.939037     -5.604542     11.441800
  O      -0.060668     -6.227659     12.041795
  C      -1.723494     -4.612023     12.323836
  O      -2.382143     -3.664166     11.947393
  C      -2.514159     -5.359630      9.544866
  C      -2.902259     -5.482576      8.204167
  C      -4.275900     -5.315101      7.877071
  O      -4.773361     -5.348702      6.714964
  H      -4.476485     -2.298359      0.904442
  H      -5.547332      3.830116      3.800137
  H      -4.545318      0.592034      4.917288
  H      -4.067117     -0.910425      6.301692
  H      -6.258429     -3.189503      5.764224
  H     -10.476105      0.024821      1.400173
  H      -8.932638     -3.111243      1.627725
  H      -6.544995     -5.787110      1.582931
  H       0.074741     -6.730411      7.011069
  H      -1.524791     -4.821363     13.404997
  H      -3.262014     -5.009954     10.256189
  H      -4.978374     -5.206222      8.724323
  N      -2.040368     -3.911304      4.836863
  N      -1.052429     -3.147046      4.545481
  H      -0.120768     -3.532411      4.380330
  H      -1.138009     -2.125170      4.560639
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.566193447849
  N      -3.743780     -3.536478      3.133891
  C      -3.511100     -4.319607      1.922290
  C      -2.688241     -5.562197      2.270425
  N      -3.307594     -6.295514      3.415136
  C      -4.602415     -6.924723      2.954980
  C      -5.745582     -6.542858      3.892577
  N      -5.687583     -5.123722      4.221549
  Mo     -3.683628     -4.619041      4.923604
  N      -2.325456     -6.100044      5.965292
  C      -1.487198     -6.814092      5.024423
  C      -2.417888     -7.362679      3.966130
  H      -0.963132     -7.659480      5.497465
  H      -0.712718     -6.151799      4.584239
  H      -3.068452     -8.098205      4.457287
  H      -1.881690     -7.866232      3.144029
  H      -6.708883     -6.830768      3.442534
  H      -5.655199     -7.121057      4.831451
  H      -4.820931     -6.570996      1.939793
  H      -4.476798     -8.015491      2.894351
  H      -2.945281     -3.732153      1.180353
  H      -4.466806     -4.600672      1.445259
  H      -1.671426     -5.268720      2.563459
  H      -2.618613     -6.229540      1.394089
  C      -4.120950     -2.255260      3.053026
  C      -4.483120     -1.674402      1.794601
  C      -4.886943     -0.365692      1.665369
  Cl     -5.334351      0.163656      0.079996
  C      -4.902104      0.531356      2.786401
  C      -5.398604      1.913962      2.739817
  O      -6.169093      2.376401      1.897822
  C      -4.909160      2.945148      3.779440
  O      -3.909371      2.857214      4.468513
  C      -4.512825     -0.010177      4.007550
  C      -4.177551     -1.365674      4.214357
  C      -4.030518     -1.713141      5.595027
  O      -3.952005     -2.868217      6.129008
  C      -6.656220     -4.228115      3.899853
  C      -6.801556     -3.125865      4.795070
  C      -7.628644     -2.053083      4.547258
  Cl     -7.626246     -0.781293      5.734077
  C      -8.417246     -1.982384      3.359601
  C      -9.244967     -0.840416      2.965960
  O      -9.655206      0.064563      3.698948
  C      -9.582100     -0.620036      1.477838
  O      -8.867969     -0.927176      0.540181
  C      -8.360176     -3.111566      2.531067
  C      -7.535705     -4.222152      2.753640
  C      -7.508378     -5.203884      1.659706
  O      -8.385332     -5.329798      0.804332
  C      -1.962728     -6.020064      7.245681
  C      -0.672513     -6.415612      7.726278
  C      -0.317243     -6.286177      9.051519
  Cl      1.319664     -6.705707      9.457670
  C      -1.222571     -5.770433     10.041241
  C      -0.921796     -5.690830     11.473417
  O      -0.046377     -6.325416     12.070987
  C      -1.696967     -4.706169     12.372143
  O      -2.346966     -3.743189     12.009010
  C      -2.493460     -5.408767      9.578721
  C      -2.887584     -5.515341      8.238389
  C      -4.252611     -5.307126      7.909597
  O      -4.736523     -5.321556      6.730160
  H      -4.498611     -2.296900      0.901587
  H      -5.548920      3.862318      3.758503
  H      -4.532810      0.628689      4.891002
  H      -4.038519     -0.864057      6.298148
  H      -6.248672     -3.159268      5.732572
  H     -10.500584      0.006556      1.354419
  H      -8.956396     -3.133311      1.617943
  H      -6.588636     -5.827422      1.584967
  H       0.083075     -6.775783      7.028889
  H      -1.507762     -4.931916     13.452091
  H      -3.236930     -5.052450     10.293424
  H      -4.956539     -5.168516      8.750068
  N      -2.014312     -3.903654      4.852338
  N      -1.116470     -3.033273      4.503020
  H      -0.154703     -3.326842      4.338664
  H      -1.329835     -2.031985      4.501682
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.570529812921
  N      -3.761480     -3.516436      3.145092
  C      -3.533984     -4.306886      1.936708
  C      -2.702443     -5.543275      2.280400
  N      -3.307279     -6.280125      3.430538
  C      -4.606709     -6.912501      2.983502
  C      -5.741282     -6.526811      3.929455
  N      -5.687476     -5.103299      4.241034
  Mo     -3.666086     -4.599066      4.936900
  N      -2.318988     -6.121551      5.987208
  C      -1.477840     -6.812572      5.032144
  C      -2.409447     -7.350231      3.967170
  H      -0.942864     -7.661394      5.486451
  H      -0.712370     -6.134870      4.601081
  H      -3.057068     -8.092980      4.450919
  H      -1.877343     -7.840224      3.134685
  H      -6.709228     -6.820779      3.494324
  H      -5.635398     -7.093408      4.873293
  H      -4.835512     -6.562361      1.969353
  H      -4.477705     -8.002546      2.925287
  H      -2.978197     -3.717799      1.189046
  H      -4.492192     -4.596861      1.471041
  H      -1.685818     -5.242408      2.566160
  H      -2.635668     -6.211887      1.404854
  C      -4.129146     -2.234425      3.057033
  C      -4.495607     -1.659240      1.797899
  C      -4.895666     -0.349159      1.664151
  Cl     -5.347779      0.169438      0.076112
  C      -4.903860      0.553630      2.778045
  C      -5.395687      1.935262      2.727632
  O      -6.165106      2.398567      1.884500
  C      -4.906814      2.968950      3.764231
  O      -3.897820      2.890383      4.440283
  C      -4.511201      0.016198      4.000666
  C      -4.178530     -1.337628      4.212952
  C      -4.021354     -1.677571      5.593407
  O      -3.932731     -2.831400      6.127390
  C      -6.656432     -4.216883      3.902783
  C      -6.790527     -3.091052      4.770229
  C      -7.615618     -2.022517      4.499901
  Cl     -7.600953     -0.720531      5.654514
  C      -8.410905     -1.981006      3.315951
  C      -9.236778     -0.848571      2.898143
  O      -9.641858      0.075715      3.609884
  C      -9.584910     -0.664035      1.408375
  O      -8.873063     -0.988099      0.475220
  C      -8.363457     -3.131036      2.517239
  C      -7.542956     -4.240099      2.763794
  C      -7.529006     -5.255533      1.702806
  O      -8.407792     -5.395980      0.851593
  C      -1.951149     -6.051058      7.264767
  C      -0.661687     -6.455627      7.741950
  C      -0.308302     -6.343065      9.068718
  Cl      1.325817     -6.779356      9.471268
  C      -1.209867     -5.832262     10.062949
  C      -0.912881     -5.773345     11.494572
  O      -0.042998     -6.421078     12.086688
  C      -1.681919     -4.798617     12.408550
  O      -2.315410     -3.819390     12.061342
  C      -2.475847     -5.453131      9.602942
  C      -2.871486     -5.542668      8.261760
  C      -4.228324     -5.296868      7.933370
  O      -4.706344     -5.292977      6.750906
  H      -4.520996     -2.285491      0.908236
  H      -5.543020      3.887662      3.739661
  H      -4.525144      0.659365      4.880941
  H      -4.020436     -0.829211      6.296431
  H      -6.232572     -3.102641      5.704812
  H     -10.500784     -0.037141      1.274139
  H      -8.966063     -3.174888      1.609256
  H      -6.621654     -5.899078      1.649673
  H       0.092293     -6.813153      7.042472
  H      -1.496247     -5.040949     13.484712
  H      -3.214209     -5.092921     10.320637
  H      -4.933108     -5.136646      8.768201
  N      -1.978500     -3.891101      4.847798
  N      -1.169660     -2.952086      4.446047
  H      -0.185804     -3.161716      4.288556
  H      -1.486801     -1.979966      4.404460
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.574432545406
  N      -3.766862     -3.505498      3.155354
  C      -3.540925     -4.301385      1.951597
  C      -2.708683     -5.533600      2.291716
  N      -3.305744     -6.272696      3.443466
  C      -4.607630     -6.904858      3.007372
  C      -5.731968     -6.513292      3.960358
  N      -5.683370     -5.088101      4.253810
  Mo     -3.649831     -4.590124      4.944465
  N      -2.311695     -6.140990      6.001930
  C      -1.468733     -6.811843      5.034984
  C      -2.399997     -7.343032      3.965719
  H      -0.924085     -7.663102      5.473159
  H      -0.714130     -6.120098      4.613062
  H      -3.043385     -8.093735      4.442134
  H      -1.869650     -7.819196      3.124929
  H      -6.704626     -6.814531      3.543052
  H      -5.609741     -7.065423      4.910291
  H      -4.842793     -6.558661      1.993513
  H      -4.477985     -7.994383      2.953687
  H      -2.988458     -3.712628      1.201696
  H      -4.500732     -4.593589      1.491371
  H      -1.692596     -5.230752      2.575993
  H      -2.644062     -6.201066      1.415244
  C      -4.124554     -2.221870      3.053208
  C      -4.490964     -1.655556      1.791548
  C      -4.885376     -0.344877      1.650135
  Cl     -5.343629      0.163586      0.061091
  C      -4.887473      0.566070      2.754400
  C      -5.371833      1.947339      2.694173
  O      -6.132137      2.410125      1.843291
  C      -4.879558      2.984080      3.723519
  O      -3.877334      2.902615      4.405416
  C      -4.495402      0.036591      3.980482
  C      -4.168444     -1.316846      4.199895
  C      -4.006147     -1.654464      5.576311
  O      -3.913348     -2.807648      6.102802
  C      -6.653664     -4.210384      3.906557
  C      -6.796805     -3.082903      4.771931
  C      -7.632799     -2.024835      4.500516
  Cl     -7.641798     -0.721734      5.653576
  C      -8.424364     -1.992221      3.315721
  C      -9.257434     -0.868275      2.896328
  O      -9.669779      0.052601      3.607262
  C      -9.595523     -0.681514      1.406498
  O      -8.875049     -0.996216      0.479745
  C      -8.367015     -3.141231      2.518586
  C      -7.540670     -4.244480      2.767134
  C      -7.525202     -5.263020      1.710219
  O      -8.402627     -5.406527      0.861612
  C      -1.941085     -6.072446      7.277930
  C      -0.653560     -6.477896      7.757169
  C      -0.308364     -6.376622      9.085863
  Cl      1.321358     -6.817899      9.496604
  C      -1.211894     -5.873970     10.079795
  C      -0.921558     -5.828009     11.511814
  O      -0.053549     -6.479762     12.099610
  C      -1.691563     -4.860575     12.431275
  O      -2.320388     -3.878547     12.091024
  C      -2.472806     -5.485646      9.618540
  C      -2.862927     -5.563776      8.275217
  C      -4.212033     -5.287005      7.941153
  O      -4.678755     -5.267059      6.761174
  H      -4.524746     -2.287049      0.907182
  H      -5.522708      3.897234      3.708727
  H      -4.505094      0.686586      4.854636
  H      -3.999920     -0.810522      6.283915
  H      -6.243432     -3.090719      5.707910
  H     -10.519841     -0.070045      1.265799
  H      -8.968342     -3.190343      1.610700
  H      -6.622176     -5.910062      1.658906
  H       0.102357     -6.831138      7.059402
  H      -1.522127     -5.119443     13.505154
  H      -3.209554     -5.124502     10.336113
  H      -4.922770     -5.109668      8.766917
  N      -1.924450     -3.883723      4.832766
  N      -1.223427     -2.885600      4.381478
  H      -0.222912     -2.996013      4.225530
  H      -1.648164     -1.957899      4.294038
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.577191071449
  N      -3.770812     -3.496782      3.171660
  C      -3.546480     -4.291138      1.967836
  C      -2.714130     -5.521278      2.301374
  N      -3.306308     -6.263592      3.452308
  C      -4.611507     -6.891123      3.025665
  C      -5.725670     -6.496811      3.987465
  N      -5.678378     -5.073102      4.271520
  Mo     -3.637759     -4.586060      4.956239
  N      -2.304966     -6.153166      6.009006
  C      -1.459819     -6.802145      5.030575
  C      -2.391115     -7.331953      3.959948
  H      -0.903080     -7.653637      5.453570
  H      -0.718097     -6.094745      4.615837
  H      -3.026469     -8.093293      4.429908
  H      -1.858980     -7.794591      3.113166
  H      -6.702299     -6.803348      3.582638
  H      -5.591797     -7.041279      4.940385
  H      -4.851168     -6.544319      2.013255
  H      -4.486470     -7.980952      2.972064
  H      -2.996517     -3.702356      1.216094
  H      -4.507971     -4.581328      1.509884
  H      -1.697899     -5.219602      2.585694
  H      -2.651349     -6.184746      1.421703
  C      -4.127062     -2.212834      3.059334
  C      -4.493998     -1.652989      1.795047
  C      -4.888422     -0.343930      1.648351
  Cl     -5.345035      0.162096      0.059334
  C      -4.892989      0.573002      2.748045
  C      -5.377071      1.954291      2.678463
  O      -6.132221      2.411623      1.821075
  C      -4.893924      2.992062      3.709468
  O      -3.882685      2.924971      4.376466
  C      -4.503089      0.050236      3.976765
  C      -4.173094     -1.302794      4.198566
  C      -4.003644     -1.642668      5.569769
  O      -3.902748     -2.794047      6.089371
  C      -6.645032     -4.198251      3.916851
  C      -6.778830     -3.053684      4.762804
  C      -7.612602     -1.998906      4.477557
  Cl     -7.615939     -0.672387      5.602565
  C      -8.410357     -1.984842      3.297135
  C      -9.242739     -0.865932      2.863069
  O      -9.648039      0.067353      3.560687
  C      -9.590586     -0.708722      1.373161
  O      -8.873415     -1.033407      0.449552
  C      -8.361837     -3.147258      2.519947
  C      -7.539936     -4.249005      2.783441
  C      -7.542836     -5.290952      1.748327
  O      -8.420072     -5.434889      0.902798
  C      -1.931188     -6.086169      7.283944
  C      -0.644844     -6.491899      7.762801
  C      -0.304436     -6.402636      9.092752
  Cl      1.322275     -6.843602      9.509326
  C      -1.210513     -5.910887     10.089182
  C      -0.923251     -5.879955     11.523319
  O      -0.056377     -6.537439     12.103314
  C      -1.698978     -4.923814     12.449754
  O      -2.312073     -3.930617     12.119298
  C      -2.468811     -5.516297      9.628653
  C      -2.853322     -5.582585      8.283302
  C      -4.198456     -5.283834      7.946194
  O      -4.662277     -5.249228      6.772664
  H      -4.528092     -2.288227      0.914171
  H      -5.529644      3.909631      3.674209
  H      -4.514481      0.704097      4.847055
  H      -3.999993     -0.800968      6.280749
  H      -6.219163     -3.047548      5.694350
  H     -10.512714     -0.094970      1.228723
  H      -8.969168     -3.209815      1.617390
  H      -6.650427     -5.952846      1.707082
  H       0.112442     -6.838303      7.063728
  H      -1.526730     -5.192225     13.520595
  H      -3.205518     -5.158631     10.346957
  H      -4.909915     -5.098679      8.770524
  N      -1.895746     -3.893272      4.834405
  N      -1.270911     -2.862699      4.354694
  H      -0.264202     -2.900239      4.208903
  H      -1.767273     -1.979429      4.203418
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.579488067338
  N      -3.767114     -3.493507      3.185317
  C      -3.543923     -4.285902      1.979979
  C      -2.716725     -5.517274      2.308899
  N      -3.310264     -6.259288      3.458100
  C      -4.618708     -6.880283      3.038331
  C      -5.722966     -6.482055      4.008235
  N      -5.674155     -5.059247      4.287212
  Mo     -3.631046     -4.587358      4.966751
  N      -2.301534     -6.155051      6.009208
  C      -1.454564     -6.788871      5.023888
  C      -2.386439     -7.323947      3.955775
  H      -0.886949     -7.637649      5.438587
  H      -0.724859     -6.068539      4.611876
  H      -3.013575     -8.094331      4.422106
  H      -1.850765     -7.777020      3.106105
  H      -6.703533     -6.792942      3.614966
  H      -5.578900     -7.021719      4.962669
  H      -4.860352     -6.531796      2.027049
  H      -4.501126     -7.971085      2.984811
  H      -2.992455     -3.699088      1.227445
  H      -4.507064     -4.569983      1.520891
  H      -1.699823     -5.221052      2.596134
  H      -2.655754     -6.177546      1.426529
  C      -4.125218     -2.208655      3.061218
  C      -4.490521     -1.657778      1.792658
  C      -4.886196     -0.350274      1.638207
  Cl     -5.337460      0.150548      0.046856
  C      -4.897384      0.573145      2.733503
  C      -5.382424      1.954780      2.653886
  O      -6.124934      2.409537      1.785078
  C      -4.907496      2.995428      3.685779
  O      -3.909988      2.925191      4.371840
  C      -4.511783      0.058505      3.966693
  C      -4.177404     -1.292959      4.192320
  C      -4.005069     -1.637589      5.560136
  O      -3.899553     -2.790861      6.070150
  C      -6.637439     -4.184017      3.929013
  C      -6.768302     -3.030996      4.764889
  C      -7.602208     -1.979159      4.472984
  Cl     -7.608374     -0.642518      5.585301
  C      -8.402074     -1.973751      3.293636
  C      -9.235862     -0.858441      2.850912
  O      -9.640226      0.080868      3.540418
  C      -9.586121     -0.717507      1.360035
  O      -8.872385     -1.052379      0.438109
  C      -8.355854     -3.142664      2.525928
  C      -7.536191     -4.243148      2.798055
  C      -7.549643     -5.298289      1.774723
  O      -8.428487     -5.444485      0.932503
  C      -1.925442     -6.086018      7.284127
  C      -0.639469     -6.491034      7.760283
  C      -0.300648     -6.411374      9.091417
  Cl      1.325733     -6.847532      9.508943
  C      -1.209210     -5.931757     10.091293
  C      -0.923757     -5.913307     11.527761
  O      -0.054138     -6.570720     12.101334
  C      -1.706996     -4.967278     12.459213
  O      -2.326476     -3.976952     12.134426
  C      -2.467571     -5.534478      9.632570
  C      -2.847659     -5.590495      8.286044
  C      -4.192175     -5.280622      7.947296
  O      -4.656692     -5.233203      6.779015
  H      -4.521079     -2.298212      0.915678
  H      -5.564036      3.899135      3.665428
  H      -4.527967      0.716687      4.833440
  H      -4.008796     -0.799575      6.276148
  H      -6.205617     -3.018798      5.694297
  H     -10.515883     -0.115368      1.212742
  H      -8.965341     -3.211837      1.625394
  H      -6.668004     -5.975434      1.746414
  H       0.118301     -6.829733      7.057860
  H      -1.553503     -5.257946     13.527453
  H      -3.205372     -5.182939     10.352479
  H      -4.903112     -5.097504      8.773623
  N      -1.862662     -3.903767      4.840409
  N      -1.274896     -2.862165      4.351893
  H      -0.264039     -2.857210      4.223682
  H      -1.803341     -2.013860      4.120844
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.581533247870
  N      -3.755783     -3.495584      3.190053
  C      -3.530359     -4.287269      1.982682
  C      -2.708716     -5.520968      2.312034
  N      -3.308067     -6.260511      3.459383
  C      -4.616707     -6.878225      3.041661
  C      -5.714651     -6.477860      4.017087
  N      -5.668372     -5.053507      4.293122
  Mo     -3.624639     -4.591370      4.972359
  N      -2.302662     -6.153554      6.008358
  C      -1.451125     -6.780792      5.023443
  C      -2.379637     -7.322182      3.955310
  H      -0.877132     -7.625945      5.437019
  H      -0.728564     -6.051772      4.613229
  H      -3.002146     -8.098785      4.417710
  H      -1.836976     -7.769787      3.106962
  H      -6.697076     -6.796966      3.635198
  H      -5.559451     -7.013726      4.972008
  H      -4.858612     -6.529705      2.030450
  H      -4.504311     -7.970018      2.989605
  H      -2.975432     -3.702749      1.230707
  H      -4.493622     -4.566358      1.519852
  H      -1.691838     -5.229153      2.604035
  H      -2.646171     -6.180612      1.429154
  C      -4.116089     -2.209986      3.053314
  C      -4.476572     -1.668781      1.778975
  C      -4.872166     -0.362035      1.614133
  Cl     -5.315772      0.128536      0.017753
  C      -4.890316      0.569087      2.704172
  C      -5.375480      1.951571      2.611735
  O      -6.109282      2.401907      1.733431
  C      -4.916095      2.996539      3.647386
  O      -3.910683      2.942995      4.324621
  C      -4.512183      0.062461      3.943462
  C      -4.176203     -1.286590      4.175908
  C      -4.008279     -1.633988      5.544351
  O      -3.903371     -2.790960      6.047321
  C      -6.634009     -4.179707      3.934380
  C      -6.782347     -3.039744      4.785018
  C      -7.627117     -1.993260      4.506784
  Cl     -7.659475     -0.678253      5.644023
  C      -8.419794     -1.975635      3.322255
  C      -9.263540     -0.861864      2.891674
  O      -9.682265      0.062615      3.592727
  C      -9.603395     -0.700949      1.399688
  O      -8.874747     -1.005254      0.477737
  C      -8.357031     -3.132667      2.537276
  C      -7.529547     -4.230405      2.798070
  C      -7.537611     -5.269997      1.757218
  O      -8.410536     -5.397690      0.904481
  C      -1.927191     -6.080349      7.284563
  C      -0.641024     -6.484264      7.759158
  C      -0.302720     -6.411241      9.091695
  Cl      1.324503     -6.843405      9.507582
  C      -1.214322     -5.940858     10.093738
  C      -0.930917     -5.931835     11.532259
  O      -0.060499     -6.590352     12.103082
  C      -1.723021     -4.996193     12.467919
  O      -2.330549     -3.995839     12.148985
  C      -2.473397     -5.542459      9.634934
  C      -2.849405     -5.590922      8.287537
  C      -4.193166     -5.274823      7.946860
  O      -4.658753     -5.217785      6.778539
  H      -4.502624     -2.315140      0.906031
  H      -5.567468      3.903567      3.603280
  H      -4.534811      0.724476      4.807367
  H      -4.021955     -0.798277      6.263200
  H      -6.226908     -3.038686      5.718879
  H     -10.539197     -0.106434      1.256647
  H      -8.961165     -3.194032      1.632342
  H      -6.654269     -5.943182      1.718562
  H       0.117654     -6.816624      7.054193
  H      -1.565975     -5.292588     13.534582
  H      -3.213647     -5.196004     10.355118
  H      -4.902097     -5.096310      8.776423
  N      -1.843608     -3.914778      4.857426
  N      -1.271564     -2.865895      4.371660
  H      -0.257202     -2.835008      4.272739
  H      -1.809782     -2.051602      4.052582
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.583313561379
  N      -3.747217     -3.489359      3.193989
  C      -3.523467     -4.280987      1.983905
  C      -2.705578     -5.518359      2.311992
  N      -3.307478     -6.256828      3.459004
  C      -4.618539     -6.870174      3.044294
  C      -5.710687     -6.469560      4.026523
  N      -5.664212     -5.044052      4.304677
  Mo     -3.615906     -4.588656      4.980389
  N      -2.304547     -6.151078      6.009118
  C      -1.452998     -6.780030      5.024613
  C      -2.380042     -7.320492      3.954916
  H      -0.878641     -7.624915      5.437944
  H      -0.731234     -6.048943      4.614857
  H      -3.002788     -8.099179      4.413544
  H      -1.833417     -7.766466      3.107878
  H      -6.695220     -6.792696      3.652550
  H      -5.546864     -7.006597      4.979418
  H      -4.862438     -6.519155      2.034320
  H      -4.511352     -7.962813      2.990397
  H      -2.967852     -3.698169      1.231068
  H      -4.487727     -4.556592      1.520577
  H      -1.687534     -5.230346      2.604445
  H      -2.644187     -6.178113      1.428977
  C      -4.115260     -2.205166      3.051464
  C      -4.476907     -1.669380      1.774417
  C      -4.876157     -0.363503      1.604608
  Cl     -5.313571      0.119390      0.004000
  C      -4.901967      0.570533      2.692585
  C      -5.390969      1.952040      2.595513
  O      -6.115259      2.403131      1.709434
  C      -4.943583      2.999873      3.635110
  O      -3.943499      2.949203      4.322433
  C      -4.525624      0.067920      3.934800
  C      -4.182577     -1.277334      4.169770
  C      -4.014097     -1.624805      5.539593
  O      -3.906078     -2.783898      6.039103
  C      -6.630220     -4.171212      3.941779
  C      -6.773043     -3.023634      4.782426
  C      -7.613033     -1.974846      4.497532
  Cl     -7.631841     -0.650624      5.625176
  C      -8.408616     -1.962664      3.314038
  C      -9.249296     -0.849592      2.874528
  O      -9.661615      0.085650      3.565493
  C      -9.598166     -0.705852      1.381789
  O      -8.876012     -1.025271      0.458246
  C      -8.352424     -3.127535      2.539478
  C      -7.529398     -4.227679      2.808645
  C      -7.550415     -5.279620      1.780198
  O      -8.425406     -5.405294      0.926788
  C      -1.926975     -6.078346      7.285448
  C      -0.640139     -6.487401      7.755836
  C      -0.298250     -6.421944      9.088555
  Cl      1.329964     -6.858981      9.496202
  C      -1.208166     -5.956213     10.095118
  C      -0.924457     -5.958715     11.533779
  O      -0.052956     -6.620170     12.100879
  C      -1.715834     -5.029466     12.477456
  O      -2.321447     -4.024128     12.166490
  C      -2.466857     -5.550752      9.639264
  C      -2.844150     -5.589857      8.292065
  C      -4.186143     -5.265925      7.955869
  O      -4.657284     -5.198142      6.785987
  H      -4.498545     -2.318112      0.902765
  H      -5.611764      3.895420      3.602215
  H      -4.553938      0.730402      4.798860
  H      -4.036889     -0.789989      6.259078
  H      -6.213457     -3.016872      5.714082
  H     -10.535807     -0.114057      1.237363
  H      -8.959018     -3.194594      1.636190
  H      -6.680619     -5.971106      1.756661
  H       0.116877     -6.816690      7.047219
  H      -1.570712     -5.343615     13.541150
  H      -3.206385     -5.206211     10.361755
  H      -4.889201     -5.092496      8.791169
  N      -1.842503     -3.919446      4.880225
  N      -1.277225     -2.862634      4.400663
  H      -0.261099     -2.816515      4.332842
  H      -1.813098     -2.086014      3.993669
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.584701843716
  N      -3.733469     -3.484167      3.199290
  C      -3.513180     -4.276005      1.987768
  C      -2.704860     -5.519163      2.313555
  N      -3.312588     -6.255772      3.457999
  C      -4.626526     -6.861393      3.044176
  C      -5.711473     -6.460868      4.033704
  N      -5.661835     -5.035953      4.316801
  Mo     -3.611507     -4.590538      4.989224
  N      -2.309791     -6.144023      6.006023
  C      -1.462052     -6.782905      5.023560
  C      -2.389458     -7.322564      3.954864
  H      -0.891866     -7.628160      5.441390
  H      -0.738015     -6.055451      4.611346
  H      -3.014920     -8.100273      4.411439
  H      -1.841006     -7.769715      3.109536
  H      -6.699552     -6.783376      3.668013
  H      -5.539577     -7.000885      4.983586
  H      -4.871433     -6.504440      2.036403
  H      -4.525711     -7.954532      2.985865
  H      -2.953692     -3.695549      1.235855
  H      -4.479062     -4.544563      1.523192
  H      -1.685129     -5.239094      2.608143
  H      -2.646747     -6.177985      1.429594
  C      -4.112252     -2.201601      3.051425
  C      -4.475111     -1.670823      1.773404
  C      -4.878513     -0.365362      1.600645
  Cl     -5.310142      0.111713     -0.003699
  C      -4.912373      0.569077      2.686118
  C      -5.404554      1.948448      2.585811
  O      -6.121333      2.400575      1.693889
  C      -4.975052      2.996891      3.632995
  O      -3.971389      2.960063      4.315934
  C      -4.538100      0.068999      3.931241
  C      -4.187333     -1.272213      4.166662
  C      -4.020129     -1.623883      5.535885
  O      -3.911975     -2.787391      6.024195
  C      -6.627479     -4.163453      3.950951
  C      -6.768559     -3.011019      4.784741
  C      -7.604234     -1.961219      4.491865
  Cl     -7.617663     -0.629530      5.611708
  C      -8.398558     -1.953884      3.307387
  C      -9.236483     -0.842694      2.860214
  O      -9.644346      0.100885      3.542769
  C      -9.595412     -0.713486      1.368241
  O      -8.878518     -1.040135      0.443092
  C      -8.345190     -3.124211      2.540813
  C      -7.525493     -4.225277      2.817925
  C      -7.551093     -5.287575      1.801268
  O      -8.421748     -5.412778      0.942628
  C      -1.929322     -6.071234      7.282371
  C      -0.641991     -6.483832      7.747892
  C      -0.296963     -6.423828      9.080523
  Cl      1.332533     -6.862386      9.480627
  C      -1.204300     -5.963711     10.091069
  C      -0.918394     -5.974578     11.528531
  O      -0.044754     -6.637381     12.091246
  C      -1.711918     -5.055756     12.480491
  O      -2.311424     -4.043965     12.178536
  C      -2.463559     -5.554822      9.639612
  C      -2.842892     -5.585316      8.292780
  C      -4.184996     -5.260954      7.961224
  O      -4.658396     -5.180554      6.792026
  H      -4.491225     -2.319755      0.901865
  H      -5.649042      3.887695      3.594551
  H      -4.573453      0.730864      4.795647
  H      -4.052088     -0.795588      6.261855
  H      -6.208599     -3.000132      5.715946
  H     -10.532698     -0.121167      1.224611
  H      -8.951583     -3.196000      1.637807
  H      -6.690599     -5.990898      1.793249
  H       0.113390     -6.809633      7.036080
  H      -1.568194     -5.380004     13.541166
  H      -3.202049     -5.214624     10.365276
  H      -4.887409     -5.100402      8.798838
  N      -1.824316     -3.911170      4.898503
  N      -1.259801     -2.852038      4.431678
  H      -0.240722     -2.796225      4.393284
  H      -1.779785     -2.111645      3.940482
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.585952933605
  N      -3.718917     -3.478941      3.189000
  C      -3.502889     -4.277154      1.981577
  C      -2.696318     -5.520517      2.311137
  N      -3.305075     -6.253505      3.456583
  C      -4.621036     -6.855002      3.044007
  C      -5.701322     -6.455278      4.038238
  N      -5.654365     -5.030244      4.319594
  Mo     -3.596207     -4.583059      4.989958
  N      -2.311378     -6.143658      6.011327
  C      -1.464156     -6.789026      5.031665
  C      -2.389438     -7.324201      3.958931
  H      -0.899105     -7.635850      5.452612
  H      -0.734772     -6.066277      4.620319
  H      -3.020645     -8.098627      4.413041
  H      -1.840118     -7.774585      3.116012
  H      -6.691104     -6.781144      3.681346
  H      -5.521032     -6.994048      4.987365
  H      -4.868161     -6.495035      2.037924
  H      -4.521974     -7.947937      2.982516
  H      -2.943920     -3.700397      1.226504
  H      -4.469938     -4.547011      1.520297
  H      -1.675765     -5.240887      2.603715
  H      -2.639573     -6.182507      1.429527
  C      -4.104253     -2.200211      3.037204
  C      -4.469187     -1.674024      1.758223
  C      -4.873156     -0.368936      1.581399
  Cl     -5.305338      0.100233     -0.025377
  C      -4.908705      0.568503      2.662242
  C      -5.401995      1.945324      2.558156
  O      -6.109720      2.398559      1.659251
  C      -4.983294      2.995383      3.607575
  O      -3.981415      2.964627      4.292631
  C      -4.533606      0.072344      3.909134
  C      -4.180490     -1.266673      4.149152
  C      -4.016162     -1.611774      5.519932
  O      -3.910488     -2.772030      6.012920
  C      -6.623394     -4.162172      3.952839
  C      -6.774885     -3.018521      4.797195
  C      -7.616069     -1.971411      4.511576
  Cl     -7.643615     -0.652526      5.646834
  C      -8.405740     -1.957685      3.324855
  C      -9.248923     -0.848151      2.887272
  O      -9.659592      0.088763      3.577358
  C      -9.608646     -0.705385      1.397033
  O      -8.888272     -1.014701      0.469402
  C      -8.343205     -3.120149      2.548015
  C      -7.518463     -4.219774      2.816693
  C      -7.537208     -5.271458      1.790164
  O      -8.402504     -5.388048      0.925237
  C      -1.930285     -6.074275      7.286626
  C      -0.644990     -6.494379      7.753546
  C      -0.301413     -6.437617      9.086072
  Cl      1.325778     -6.885379      9.486530
  C      -1.206904     -5.974517     10.096535
  C      -0.924213     -5.991760     11.532881
  O      -0.051954     -6.657495     12.095017
  C      -1.715780     -5.076690     12.489064
  O      -2.306379     -4.058307     12.193254
  C      -2.461992     -5.556471      9.644424
  C      -2.841018     -5.581134      8.296779
  C      -4.179187     -5.247076      7.966273
  O      -4.650078     -5.156791      6.796706
  H      -4.485364     -2.324764      0.888268
  H      -5.669387      3.876791      3.578286
  H      -4.570872      0.736302      4.771642
  H      -4.051220     -0.781418      6.243167
  H      -6.220392     -3.013755      5.731364
  H     -10.549894     -0.118831      1.258670
  H      -8.946024     -3.187318      1.642456
  H      -6.678921     -5.975891      1.780340
  H       0.110364     -6.822444      7.043224
  H      -1.581501     -5.410909     13.547409
  H      -3.198676     -5.212375     10.369881
  H      -4.882905     -5.085575      8.801924
  N      -1.825502     -3.899984      4.910463
  N      -1.283412     -2.827620      4.441289
  H      -0.266302     -2.744100      4.432261
  H      -1.807078     -2.147730      3.872738
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.586905825315
  N      -3.699356     -3.474683      3.182798
  C      -3.487886     -4.277086      1.978205
  C      -2.687521     -5.523337      2.311025
  N      -3.302650     -6.251744      3.455138
  C      -4.621564     -6.845042      3.042032
  C      -5.696147     -6.445453      4.042296
  N      -5.645981     -5.020965      4.324916
  Mo     -3.582182     -4.580076      4.993760
  N      -2.315267     -6.139843      6.013560
  C      -1.469394     -6.792554      5.036370
  C      -2.394777     -7.326039      3.962537
  H      -0.909655     -7.640247      5.462220
  H      -0.734519     -6.075576      4.623767
  H      -3.031120     -8.096529      4.416232
  H      -1.845411     -7.780854      3.122026
  H      -6.688988     -6.769842      3.692895
  H      -5.509752     -6.985677      4.989643
  H      -4.869304     -6.477830      2.039005
  H      -4.527153     -7.938037      2.973633
  H      -2.926636     -3.704348      1.221538
  H      -4.456100     -4.544328      1.517952
  H      -1.666062     -5.247893      2.604917
  H      -2.631947     -6.186758      1.430355
  C      -4.100808     -2.201003      3.027629
  C      -4.470860     -1.681207      1.748164
  C      -4.881944     -0.378202      1.567849
  Cl     -5.315484      0.082840     -0.041270
  C      -4.924353      0.561477      2.645171
  C      -5.424906      1.934540      2.537868
  O      -6.122605      2.387001      1.630344
  C      -5.027342      2.985801      3.593854
  O      -4.021109      2.973181      4.272938
  C      -4.545750      0.070187      3.893836
  C      -4.182474     -1.265014      4.136628
  C      -4.015224     -1.606566      5.507905
  O      -3.909991     -2.765702      6.001717
  C      -6.613856     -4.151682      3.955879
  C      -6.761952     -3.006657      4.799540
  C      -7.599945     -1.957304      4.513023
  Cl     -7.620758     -0.636310      5.646273
  C      -8.392163     -1.943818      3.328063
  C      -9.235117     -0.834153      2.891674
  O      -9.632790      0.110427      3.579220
  C      -9.612609     -0.699359      1.405320
  O      -8.906984     -1.019934      0.470407
  C      -8.334256     -3.107642      2.553445
  C      -7.511588     -4.209018      2.821314
  C      -7.540613     -5.264172      1.798968
  O      -8.405191     -5.373485      0.932513
  C      -1.931698     -6.074570      7.288656
  C      -0.646743     -6.498499      7.753384
  C      -0.302317     -6.447057      9.085807
  Cl      1.324743     -6.898525      9.482997
  C      -1.206344     -5.987391     10.099009
  C      -0.923599     -6.011741     11.534663
  O      -0.046397     -6.674827     12.092911
  C      -1.717674     -5.106168     12.496923
  O      -2.303641     -4.082788     12.209226
  C      -2.460380     -5.564635      9.648967
  C      -2.839965     -5.581321      8.301105
  C      -4.176599     -5.241546      7.971605
  O      -4.644147     -5.137228      6.802431
  H      -4.482480     -2.333257      0.879120
  H      -5.725350      3.857734      3.564679
  H      -4.587838      0.735734      4.754797
  H      -4.054424     -0.776303      6.231142
  H      -6.206701     -3.001980      5.733039
  H     -10.560070     -0.121135      1.274285
  H      -8.939740     -3.175506      1.649712
  H      -6.693138     -5.981043      1.794596
  H       0.108491     -6.824407      7.042066
  H      -1.590106     -5.451522     13.552403
  H      -3.195878     -5.221542     10.376069
  H      -4.883672     -5.086099      8.805643
  N      -1.818613     -3.888130      4.927585
  N      -1.276264     -2.811194      4.467715
  H      -0.260552     -2.715129      4.498391
  H      -1.779894     -2.175704      3.833178
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.580966076096
  N      -3.678443     -3.470976      3.174608
  C      -3.470364     -4.278244      1.973800
  C      -2.677368     -5.527716      2.312332
  N      -3.301262     -6.249980      3.455132
  C      -4.622506     -6.834864      3.040005
  C      -5.691813     -6.434950      4.045620
  N      -5.637654     -5.010605      4.328015
  Mo     -3.568326     -4.576459      4.995245
  N      -2.319715     -6.135392      6.016584
  C      -1.475846     -6.796563      5.041966
  C      -2.402138     -7.328112      3.968243
  H      -0.922671     -7.645903      5.473006
  H      -0.734319     -6.087227      4.627695
  H      -3.044310     -8.092946      4.423358
  H      -1.854119     -7.789055      3.130229
  H      -6.687751     -6.756658      3.702719
  H      -5.500659     -6.975675      4.991820
  H      -4.870611     -6.459320      2.040506
  H      -4.532036     -7.927770      2.963553
  H      -2.905170     -3.710413      1.216084
  H      -4.439192     -4.542350      1.513185
  H      -1.655603     -5.256682      2.609382
  H      -2.621686     -6.192820      1.432874
  C      -4.094295     -2.202115      3.015761
  C      -4.469868     -1.689453      1.735829
  C      -4.886025     -0.388306      1.551350
  Cl     -5.323389      0.064378     -0.059312
  C      -4.931749      0.554991      2.625005
  C      -5.438002      1.925332      2.514497
  O      -6.124117      2.378005      1.598063
  C      -5.062990      2.976018      3.578315
  O      -4.060555      2.974487      4.263305
  C      -4.548107      0.069299      3.875042
  C      -4.177323     -1.262941      4.121349
  C      -4.006893     -1.600549      5.493282
  O      -3.906186     -2.758588      5.989869
  C      -6.604875     -4.140649      3.957449
  C      -6.753415     -2.995427      4.801010
  C      -7.592316     -1.946783      4.514640
  Cl     -7.612616     -0.625389      5.647145
  C      -8.386807     -1.935248      3.330921
  C      -9.233446     -0.827151      2.896866
  O      -9.624330      0.120405      3.584732
  C      -9.637610     -0.705262      1.417047
  O      -8.930769     -0.996813      0.473716
  C      -8.329646     -3.100157      2.558103
  C      -7.505234     -4.200370      2.824959
  C      -7.540745     -5.259364      1.806301
  O      -8.403091     -5.363538      0.937345
  C      -1.932807     -6.073806      7.291867
  C      -0.647904     -6.499315      7.753819
  C      -0.302468     -6.453461      9.086298
  Cl      1.324700     -6.906981      9.480447
  C      -1.205617     -5.998683     10.102418
  C      -0.921762     -6.028788     11.537870
  O      -0.040094     -6.689495     12.092110
  C      -1.723910     -5.138057     12.506180
  O      -2.300883     -4.106686     12.228695
  C      -2.459886     -5.573698      9.654595
  C      -2.839522     -5.582875      8.306902
  C      -4.175020     -5.236749      7.976520
  O      -4.635993     -5.118102      6.807582
  H      -4.479023     -2.343729      0.868430
  H      -5.785420      3.828228      3.566647
  H      -4.591958      0.737883      4.733460
  H      -4.045721     -0.769185      6.215467
  H      -6.198576     -2.990107      5.734610
  H     -10.571228     -0.102072      1.300730
  H      -8.937827     -3.170768      1.656544
  H      -6.699474     -5.983542      1.805466
  H       0.107456     -6.822213      7.041309
  H      -1.596629     -5.491601     13.558889
  H      -3.194692     -5.232878     10.383388
  H      -4.887115     -5.085979      8.807469
  N      -1.811748     -3.872881      4.940254
  N      -1.269468     -2.791662      4.487311
  H      -0.257107     -2.681558      4.557358
  H      -1.753373     -2.201668      3.796010
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.587831386332
  N      -3.654954     -3.466120      3.157377
  C      -3.454921     -4.281224      1.962912
  C      -2.669229     -5.533265      2.310190
  N      -3.300657     -6.245499      3.454627
  C      -4.625604     -6.820584      3.039690
  C      -5.689124     -6.418831      4.050249
  N      -5.629518     -4.994620      4.330750
  Mo     -3.552520     -4.566752      4.993623
  N      -2.326161     -6.129453      6.022067
  C      -1.484508     -6.798293      5.048737
  C      -2.412513     -7.327614      3.975608
  H      -0.938402     -7.650105      5.484048
  H      -0.734994     -6.098648      4.632480
  H      -3.061692     -8.084357      4.434391
  H      -1.867611     -7.798238      3.140894
  H      -6.687862     -6.737094      3.712293
  H      -5.496067     -6.959703      4.996066
  H      -4.874613     -6.436422      2.044064
  H      -4.539277     -7.913345      2.954534
  H      -2.886453     -3.722251      1.200575
  H      -4.425403     -4.542041      1.504023
  H      -1.646787     -5.266022      2.608191
  H      -2.614785     -6.202538      1.433730
  C      -4.082394     -2.202055      2.998589
  C      -4.469138     -1.696255      1.719626
  C      -4.894641     -0.398652      1.533651
  Cl     -5.348375      0.045685     -0.074921
  C      -4.940896      0.547739      2.605119
  C      -5.461954      1.912488      2.496780
  O      -6.145432      2.362419      1.576842
  C      -5.117018      2.961176      3.571611
  O      -4.107959      2.987088      4.246548
  C      -4.543643      0.068484      3.853660
  C      -4.162491     -1.260779      4.102645
  C      -3.987445     -1.589361      5.476128
  O      -3.894809     -2.741866      5.986917
  C      -6.595154     -4.123258      3.959813
  C      -6.746469     -2.979346      4.804740
  C      -7.588300     -1.932856      4.519205
  Cl     -7.613389     -0.613334      5.653364
  C      -8.384513     -1.923181      3.336301
  C      -9.237099     -0.818399      2.905043
  O      -9.619654      0.133476      3.591829
  C      -9.659215     -0.703788      1.430228
  O      -8.967698     -1.003173      0.478040
  C      -8.324079     -3.087215      2.562600
  C      -7.496024     -4.184747      2.827793
  C      -7.529557     -5.243889      1.808520
  O      -8.386906     -5.345488      0.934826
  C      -1.935451     -6.074439      7.296789
  C      -0.651421     -6.504309      7.755970
  C      -0.304602     -6.463687      9.088094
  Cl      1.321948     -6.922254      9.479797
  C      -1.205689     -6.010896     10.107094
  C      -0.921502     -6.047451     11.542420
  O      -0.035280     -6.705216     12.092836
  C      -1.729905     -5.169868     12.516611
  O      -2.305932     -4.135364     12.248775
  C      -2.459346     -5.580977      9.661260
  C      -2.839240     -5.583045      8.314018
  C      -4.173241     -5.227954      7.982573
  O      -4.629122     -5.095678      6.814693
  H      -4.479490     -2.353937      0.854814
  H      -5.862985      3.792862      3.569640
  H      -4.587433      0.740428      4.709303
  H      -4.020993     -0.750883      6.190765
  H      -6.192972     -2.973766      5.739036
  H     -10.607661     -0.122328      1.322907
  H      -8.932446     -3.159403      1.661371
  H      -6.690580     -5.970992      1.811887
  H       0.103289     -6.826190      7.042338
  H      -1.614494     -5.539643     13.565071
  H      -3.192389     -5.239973     10.391657
  H      -4.889027     -5.077765      8.810964
  N      -1.811146     -3.859167      4.944761
  N      -1.226168     -2.788535      4.505434
  H      -0.217738     -2.694484      4.630604
  H      -1.662110     -2.229276      3.759094
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.587952411625
  N      -3.638282     -3.459939      3.157392
  C      -3.435826     -4.277758      1.964115
  C      -2.657705     -5.533908      2.314989
  N      -3.298844     -6.242739      3.457407
  C      -4.626197     -6.808512      3.040067
  C      -5.683640     -6.405397      4.055667
  N      -5.619938     -4.980458      4.334102
  Mo     -3.536483     -4.564399      4.994392
  N      -2.324961     -6.136485      6.028069
  C      -1.488085     -6.811075      5.054450
  C      -2.418595     -7.331931      3.979305
  H      -0.949517     -7.668487      5.488707
  H      -0.732424     -6.116716      4.640679
  H      -3.074138     -8.084042      4.436736
  H      -1.875719     -7.805678      3.145031
  H      -6.685244     -6.721595      3.724390
  H      -5.485160     -6.945044      5.000870
  H      -4.875421     -6.415686      2.047859
  H      -4.545214     -7.901132      2.947162
  H      -2.862638     -3.721547      1.203140
  H      -4.405651     -4.535301      1.501623
  H      -1.635818     -5.271699      2.619157
  H      -2.601810     -6.202995      1.438413
  C      -4.077082     -2.200153      2.992914
  C      -4.470304     -1.702561      1.712812
  C      -4.904058     -0.408172      1.522702
  Cl     -5.366139      0.026009     -0.085982
  C      -4.952796      0.543065      2.590881
  C      -5.483201      1.904595      2.478381
  O      -6.153551      2.352884      1.547983
  C      -5.163037      2.953912      3.559620
  O      -4.139470      3.014908      4.210731
  C      -4.548674      0.070954      3.840201
  C      -4.159101     -1.254862      4.091984
  C      -3.979414     -1.582137      5.465170
  O      -3.887449     -2.735021      5.975582
  C      -6.585067     -4.108254      3.963417
  C      -6.730870     -2.960843      4.804393
  C      -7.571009     -1.912954      4.519255
  Cl     -7.588121     -0.590570      5.649745
  C      -8.371707     -1.905053      3.338761
  C      -9.223214     -0.799724      2.905342
  O      -9.585192      0.166072      3.583538
  C      -9.656691     -0.695317      1.433334
  O      -8.993808     -1.043981      0.477061
  C      -8.316534     -3.071957      2.569043
  C      -7.490296     -4.170976      2.834738
  C      -7.533903     -5.233639      1.818287
  O      -8.395352     -5.331437      0.947960
  C      -1.931489     -6.082472      7.303315
  C      -0.647297     -6.511599      7.760301
  C      -0.301000     -6.478036      9.093397
  Cl      1.325028     -6.938988      9.483094
  C      -1.203320     -6.031825     10.114287
  C      -0.919935     -6.073944     11.550410
  O      -0.026798     -6.724155     12.098061
  C      -1.734339     -5.205159     12.527438
  O      -2.309123     -4.168373     12.264641
  C      -2.457118     -5.599303      9.669442
  C      -2.834799     -5.594660      8.322448
  C      -4.165200     -5.225371      7.988243
  O      -4.612276     -5.079231      6.819501
  H      -4.478180     -2.363502      0.850277
  H      -5.917776      3.777573      3.548227
  H      -4.592669      0.746191      4.693319
  H      -4.010257     -0.743313      6.179532
  H      -6.174036     -2.953815      5.736776
  H     -10.634218     -0.163134      1.328160
  H      -8.927859     -3.145429      1.669718
  H      -6.703449     -5.970427      1.823900
  H       0.107859     -6.830184      7.045354
  H      -1.639000     -5.592418     13.571785
  H      -3.190497     -5.260564     10.400811
  H      -4.883069     -5.072556      8.814499
  N      -1.796423     -3.853627      4.949169
  N      -1.247264     -2.768669      4.497764
  H      -0.249037     -2.624218      4.651383
  H      -1.694143     -2.247357      3.730368
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.588289233226
  N      -3.631336     -3.462480      3.151177
  C      -3.428696     -4.282218      1.958691
  C      -2.651820     -5.538203      2.312350
  N      -3.294777     -6.244183      3.455392
  C      -4.623110     -6.806943      3.038465
  C      -5.679230     -6.403320      4.054717
  N      -5.615553     -4.978243      4.332667
  Mo     -3.531655     -4.564429      4.991264
  N      -2.324170     -6.136721      6.027603
  C      -1.486567     -6.811789      5.055171
  C      -2.416688     -7.334001      3.980174
  H      -0.947873     -7.668887      5.489941
  H      -0.731202     -6.117044      4.641206
  H      -3.073513     -8.084800      4.437997
  H      -1.872530     -7.810421      3.148209
  H      -6.680675     -6.721462      3.724780
  H      -5.479840     -6.942575      5.000037
  H      -4.871460     -6.412048      2.046787
  H      -4.545253     -7.899664      2.943897
  H      -2.854777     -3.728667      1.196264
  H      -4.398453     -4.539297      1.495502
  H      -1.630129     -5.276345      2.617590
  H      -2.595155     -6.209204      1.437352
  C      -4.072086     -2.203506      2.984014
  C      -4.463563     -1.707913      1.702230
  C      -4.898046     -0.414110      1.509723
  Cl     -5.356038      0.018422     -0.100365
  C      -4.950681      0.537736      2.577172
  C      -5.484585      1.897649      2.463105
  O      -6.143701      2.348563      1.526143
  C      -5.181239      2.944693      3.551737
  O      -4.163678      3.011333      4.211680
  C      -4.547752      0.067955      3.827628
  C      -4.156058     -1.256451      4.081275
  C      -3.977683     -1.581609      5.455365
  O      -3.887479     -2.732970      5.968737
  C      -6.581992     -4.106005      3.965219
  C      -6.725466     -2.959460      4.807495
  C      -7.566448     -1.911263      4.526612
  Cl     -7.579238     -0.590344      5.659132
  C      -8.372027     -1.901980      3.349563
  C      -9.226063     -0.796822      2.921234
  O      -9.585700      0.168439      3.601459
  C      -9.676854     -0.697422      1.453797
  O      -9.007102     -1.011172      0.490282
  C      -8.319195     -3.068123      2.578247
  C      -7.490855     -4.166863      2.839004
  C      -7.536323     -5.225995      1.819210
  O      -8.400077     -5.321141      0.950576
  C      -1.932271     -6.081612      7.302792
  C      -0.648868     -6.511891      7.761280
  C      -0.304295     -6.478616      9.094929
  Cl      1.320897     -6.940680      9.486435
  C      -1.207993     -6.032209     10.114446
  C      -0.927833     -6.076643     11.550923
  O      -0.033487     -6.724078     12.099770
  C      -1.746698     -5.211352     12.527847
  O      -2.307809     -4.166259     12.268769
  C      -2.460720     -5.598127      9.667891
  C      -2.836054     -5.592975      8.320311
  C      -4.165336     -5.222171      7.984902
  O      -4.613100     -5.073228      6.815984
  H      -4.468192     -2.370248      0.840733
  H      -5.956556      3.749079      3.556731
  H      -4.593034      0.744352      4.679856
  H      -4.010211     -0.740588      6.167059
  H      -6.164099     -2.953086      5.737088
  H     -10.640780     -0.139157      1.359539
  H      -8.933465     -3.140428      1.680902
  H      -6.706537     -5.962867      1.821394
  H       0.106703     -6.831088      7.046991
  H      -1.649347     -5.599497     13.571688
  H      -3.195109     -5.259241     10.398199
  H      -4.881468     -5.069957      8.812569
  N      -1.794710     -3.856717      4.948730
  N      -1.239138     -2.775890      4.499607
  H      -0.252946     -2.606694      4.698953
  H      -1.674184     -2.243125      3.733374
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.588386718043
  N      -3.634330     -3.463502      3.150566
  C      -3.430365     -4.283633      1.958425
  C      -2.653824     -5.539806      2.313179
  N      -3.295689     -6.245070      3.457448
  C      -4.624674     -6.807960      3.041500
  C      -5.681356     -6.402885      4.057516
  N      -5.617803     -4.976699      4.332879
  Mo     -3.534943     -4.564680      4.988387
  N      -2.323186     -6.137890      6.027486
  C      -1.486095     -6.812399      5.054295
  C      -2.417421     -7.335060      3.981756
  H      -0.946430     -7.669379      5.488410
  H      -0.731995     -6.117128      4.638995
  H      -3.074206     -8.084522      4.441868
  H      -1.875172     -7.812990      3.149449
  H      -6.682549     -6.721566      3.727185
  H      -5.482779     -6.940267      5.004090
  H      -4.873368     -6.412768      2.050059
  H      -4.547173     -7.900697      2.946727
  H      -2.855163     -3.730797      1.196475
  H      -4.399757     -4.539745      1.494010
  H      -1.632190     -5.277856      2.618380
  H      -2.597555     -6.211733      1.438940
  C      -4.070803     -2.203107      2.983453
  C      -4.461821     -1.706008      1.702112
  C      -4.890958     -0.410356      1.510203
  Cl     -5.350296      0.023912     -0.098893
  C      -4.937750      0.541395      2.578220
  C      -5.465885      1.903568      2.466022
  O      -6.117024      2.362037      1.527265
  C      -5.175219      2.942792      3.565361
  O      -4.158042      3.013823      4.225469
  C      -4.534880      0.070198      3.828048
  C      -4.148036     -1.255671      4.081156
  C      -3.967838     -1.581156      5.455233
  O      -3.883029     -2.732898      5.968778
  C      -6.585745     -4.105769      3.966586
  C      -6.731888     -2.959005      4.807710
  C      -7.574645     -1.912689      4.525243
  Cl     -7.590830     -0.590812      5.656675
  C      -8.379753     -1.906105      3.347856
  C      -9.234397     -0.802544      2.917316
  O      -9.591818      0.166044      3.593974
  C      -9.691270     -0.709403      1.451358
  O      -9.018239     -1.011850      0.486570
  C      -8.325155     -3.073532      2.578305
  C      -7.494422     -4.169989      2.840709
  C      -7.534029     -5.229412      1.821097
  O      -8.395915     -5.328439      0.951065
  C      -1.930639     -6.080348      7.302087
  C      -0.646420     -6.508389      7.759951
  C      -0.301521     -6.473596      9.093643
  Cl      1.324108     -6.934160      9.484882
  C      -1.205604     -6.027502     10.112673
  C      -0.925237     -6.069245     11.549082
  O      -0.030044     -6.713545     12.099875
  C      -1.751436     -5.210385     12.525910
  O      -2.316826     -4.167526     12.267494
  C      -2.459569     -5.596100      9.666539
  C      -2.835288     -5.592805      8.319207
  C      -4.164948     -5.222750      7.983766
  O      -4.613374     -5.074405      6.814952
  H      -4.469493     -2.368615      0.840843
  H      -5.960502      3.737319      3.580140
  H      -4.574298      0.747510      4.679914
  H      -3.995757     -0.739456      6.166391
  H      -6.171151     -2.950968      5.737602
  H     -10.653677     -0.148196      1.359527
  H      -8.938843     -3.147887      1.680774
  H      -6.697874     -5.959248      1.821843
  H       0.108622     -6.827959      7.045231
  H      -1.669208     -5.609661     13.566886
  H      -3.194083     -5.258078     10.397117
  H      -4.879653     -5.070160      8.812599
  N      -1.793486     -3.854440      4.940205
  N      -1.241513     -2.776944      4.487332
  H      -0.259664     -2.596733      4.696679
  H      -1.675946     -2.248018      3.719138
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.588335814537
  N      -3.636010     -3.465791      3.151091
  C      -3.429940     -4.285569      1.958529
  C      -2.656522     -5.543767      2.314553
  N      -3.298877     -6.246905      3.460482
  C      -4.629938     -6.807078      3.045687
  C      -5.686118     -6.398308      4.061795
  N      -5.619638     -4.970408      4.332525
  Mo     -3.539106     -4.567220      4.983993
  N      -2.323280     -6.143744      6.027893
  C      -1.487605     -6.817667      5.053375
  C      -2.422128     -7.338997      3.983656
  H      -0.947855     -7.675576      5.486011
  H      -0.734172     -6.122382      4.636697
  H      -3.080279     -8.085519      4.446685
  H      -1.883501     -7.819662      3.150605
  H      -6.687530     -6.716401      3.731607
  H      -5.488995     -6.932726      5.010303
  H      -4.878721     -6.409671      2.055176
  H      -4.555583     -7.899924      2.949445
  H      -2.851476     -3.733801      1.198279
  H      -4.398747     -4.538451      1.491177
  H      -1.634547     -5.283796      2.620101
  H      -2.601951     -6.217016      1.441349
  C      -4.069705     -2.204500      2.983950
  C      -4.461740     -1.706607      1.703289
  C      -4.886471     -0.409403      1.511916
  Cl     -5.351226      0.024962     -0.095302
  C      -4.927886      0.541944      2.580989
  C      -5.450674      1.906178      2.471341
  O      -6.072705      2.381192      1.521263
  C      -5.185828      2.933909      3.587443
  O      -4.172884      3.012702      4.253572
  C      -4.524023      0.069687      3.830077
  C      -4.140167     -1.256955      4.082192
  C      -3.954161     -1.582809      5.456160
  O      -3.875705     -2.735082      5.969899
  C      -6.587346     -4.099368      3.965907
  C      -6.734942     -2.950709      4.803454
  C      -7.577085     -1.905050      4.516646
  Cl     -7.595516     -0.580804      5.645304
  C      -8.381043     -1.901943      3.338361
  C      -9.233124     -0.799081      2.902120
  O      -9.579306      0.180367      3.568838
  C      -9.701692     -0.717995      1.439103
  O      -9.034211     -1.023335      0.471287
  C      -8.326491     -3.072630      2.573138
  C      -7.494895     -4.167274      2.839654
  C      -7.528197     -5.227939      1.821075
  O      -8.389952     -5.333902      0.951692
  C      -1.929555     -6.082135      7.301572
  C      -0.643453     -6.505229      7.758207
  C      -0.298385     -6.469232      9.092145
  Cl      1.328000     -6.927129      9.482840
  C      -1.203953     -6.025534     10.110616
  C      -0.922901     -6.063493     11.546970
  O      -0.022754     -6.698654     12.099997
  C      -1.761570     -5.216691     12.524323
  O      -2.290837     -4.152517     12.276787
  C      -2.460323     -5.599220      9.665205
  C      -2.836117     -5.597795      8.318146
  C      -4.165720     -5.226873      7.982162
  O      -4.614512     -5.076956      6.813436
  H      -4.472220     -2.370107      0.842641
  H      -5.999455      3.698280      3.631003
  H      -4.556281      0.748173      4.681404
  H      -3.973767     -0.739650      6.166019
  H      -6.176102     -2.940665      5.734423
  H     -10.675126     -0.175453      1.351109
  H      -8.939134     -3.149648      1.675144
  H      -6.685363     -5.950332      1.821573
  H       0.111104     -6.824132      7.042584
  H      -1.660371     -5.608810     13.566346
  H      -3.195538     -5.263725     10.396198
  H      -4.877804     -5.074214      8.813273
  N      -1.793175     -3.853809      4.930946
  N      -1.245807     -2.781992      4.474221
  H      -0.274709     -2.577683      4.708374
  H      -1.685710     -2.246248      3.715150
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.588542008819
  N      -3.629715     -3.468269      3.149991
  C      -3.423398     -4.287793      1.956989
  C      -2.652175     -5.547182      2.313567
  N      -3.296836     -6.248445      3.459714
  C      -4.628839     -6.805750      3.044606
  C      -5.683683     -6.395222      4.060871
  N      -5.614351     -4.967260      4.330829
  Mo     -3.534453     -4.569815      4.982556
  N      -2.321907     -6.147886      6.028652
  C      -1.486349     -6.822140      5.054453
  C      -2.421994     -7.342071      3.983389
  H      -0.947853     -7.680805      5.487060
  H      -0.731571     -6.127714      4.638380
  H      -3.081680     -8.087560      4.445897
  H      -1.883764     -7.823468      3.150486
  H      -6.685659     -6.712255      3.731795
  H      -5.486471     -6.929270      5.009459
  H      -4.876945     -6.406889      2.054497
  H      -4.557142     -7.898687      2.947576
  H      -2.843897     -3.736195      1.197367
  H      -4.392058     -4.539817      1.488793
  H      -1.629816     -5.288781      2.619236
  H      -2.598476     -6.221027      1.440787
  C      -4.067893     -2.208648      2.981905
  C      -4.461286     -1.713270      1.700760
  C      -4.890124     -0.417588      1.507809
  Cl     -5.357971      0.012471     -0.099582
  C      -4.935887      0.534400      2.576229
  C      -5.462141      1.897117      2.464584
  O      -6.068534      2.375938      1.506145
  C      -5.213159      2.923751      3.585020
  O      -4.192904      3.024909      4.237213
  C      -4.531702      0.064038      3.826180
  C      -4.142902     -1.260747      4.079272
  C      -3.953952     -1.585088      5.453541
  O      -3.872851     -2.736678      5.968508
  C      -6.580760     -4.094326      3.964524
  C      -6.724840     -2.945957      4.802974
  C      -7.565915     -1.898578      4.518983
  Cl     -7.580118     -0.576182      5.649750
  C      -8.372844     -1.893326      3.342698
  C      -9.224145     -0.788745      2.909310
  O      -9.562654      0.193835      3.575442
  C      -9.704661     -0.710044      1.450083
  O      -9.040236     -1.006610      0.477302
  C      -8.321927     -3.063760      2.576661
  C      -7.490870     -4.159585      2.839869
  C      -7.530450     -5.219469      1.820475
  O      -8.397368     -5.324098      0.956027
  C      -1.928008     -6.085016      7.302247
  C      -0.640969     -6.505514      7.759103
  C      -0.296363     -6.469451      9.093177
  Cl      1.330152     -6.926283      9.484466
  C      -1.203472     -6.027909     10.111404
  C      -0.923123     -6.064820     11.547808
  O      -0.013089     -6.685763     12.100828
  C      -1.760156     -5.214371     12.523400
  O      -2.304800     -4.159266     12.269652
  C      -2.460146     -5.602830      9.665632
  C      -2.835367     -5.601450      8.318435
  C      -4.164170     -5.228603      7.981576
  O      -4.612098     -5.076805      6.812617
  H      -4.469538     -2.377916      0.840897
  H      -6.029204      3.685885      3.619274
  H      -4.566672      0.742785      4.677101
  H      -3.972072     -0.740631      6.161921
  H      -6.164446     -2.937684      5.733111
  H     -10.678130     -0.166448      1.369415
  H      -8.937404     -3.139510      1.680498
  H      -6.689732     -5.944063      1.817359
  H       0.114177     -6.823329      7.043610
  H      -1.688178     -5.621130     13.562288
  H      -3.195879     -5.267710     10.396372
  H      -4.875951     -5.075803      8.812945
  N      -1.793525     -3.857180      4.934678
  N      -1.245119     -2.785547      4.479400
  H      -0.279300     -2.571848      4.727105
  H      -1.691326     -2.237549      3.732245
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.588582237378
  N      -3.624370     -3.469826      3.145532
  C      -3.417123     -4.290162      1.953559
  C      -2.646526     -5.549172      2.311848
  N      -3.293149     -6.248930      3.457872
  C      -4.625003     -6.804875      3.041261
  C      -5.680717     -6.392307      4.055126
  N      -5.609789     -4.964848      4.326433
  Mo     -3.530333     -4.569988      4.979314
  N      -2.320481     -6.149216      6.029068
  C      -1.484217     -6.823297      5.055517
  C      -2.419664     -7.342946      3.982851
  H      -0.946338     -7.682078      5.488575
  H      -0.728442     -6.129726      4.640100
  H      -3.080351     -8.087874      4.444741
  H      -1.881287     -7.824554      3.150233
  H      -6.682871     -6.707078      3.724363
  H      -5.485983     -6.927035      5.003762
  H      -4.870776     -6.406681      2.050377
  H      -4.554156     -7.897908      2.945406
  H      -2.836973     -3.738496      1.194504
  H      -4.385210     -4.543259      1.484767
  H      -1.624238     -5.290862      2.617865
  H      -2.592493     -6.223838      1.439709
  C      -4.062969     -2.210541      2.976746
  C      -4.455351     -1.716060      1.695067
  C      -4.885306     -0.420939      1.500809
  Cl     -5.355541      0.006066     -0.106727
  C      -4.932820      0.531785      2.568172
  C      -5.456775      1.894696      2.455204
  O      -6.060333      2.375828      1.495917
  C      -5.234950      2.913627      3.587610
  O      -4.221341      3.023984      4.248699
  C      -4.530603      0.061875      3.819103
  C      -4.140948     -1.262343      4.073703
  C      -3.953237     -1.584952      5.448519
  O      -3.870446     -2.735379      5.965505
  C      -6.576940     -4.091298      3.963599
  C      -6.716472     -2.943818      4.804215
  C      -7.558350     -1.895738      4.525061
  Cl     -7.566997     -0.574500      5.657104
  C      -8.370285     -1.888942      3.352353
  C      -9.221013     -0.782824      2.922635
  O      -9.549744      0.203595      3.588175
  C      -9.710252     -0.704079      1.466648
  O      -9.051818     -1.001955      0.490276
  C      -8.323910     -3.058617      2.585104
  C      -7.492609     -4.155262      2.843392
  C      -7.540875     -5.216166      1.825506
  O      -8.414037     -5.320706      0.967686
  C      -1.927214     -6.085145      7.302688
  C      -0.640474     -6.504885      7.761534
  C      -0.297075     -6.466616      9.095632
  Cl      1.328915     -6.923411      9.489469
  C      -1.204928     -6.023093     10.112449
  C      -0.926188     -6.056028     11.548921
  O      -0.019641     -6.678438     12.106143
  C      -1.775129     -5.217273     12.523776
  O      -2.324899     -4.164378     12.272038
  C      -2.461088     -5.598982      9.664929
  C      -2.835469     -5.599375      8.317445
  C      -4.163788     -5.226430      7.978985
  O      -4.610188     -5.076122      6.809828
  H      -4.463834     -2.381492      0.835945
  H      -6.061460      3.664232      3.621292
  H      -4.568101      0.741056      4.669548
  H      -3.970742     -0.739512      6.155695
  H      -6.151689     -2.936560      5.731768
  H     -10.685201     -0.162570      1.391192
  H      -8.943793     -3.133162      1.691841
  H      -6.702316     -5.943148      1.818171
  H       0.115369     -6.823793      7.047369
  H      -1.714801     -5.633371     13.559553
  H      -3.197114     -5.262109     10.394588
  H      -4.877148     -5.071668      8.808723
  N      -1.791293     -3.858386      4.934620
  N      -1.239108     -2.787252      4.479208
  H      -0.269273     -2.582955      4.719559
  H      -1.678955     -2.247810      3.721427
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.588651666350
  N      -3.624366     -3.471387      3.145044
  C      -3.416964     -4.291312      1.952891
  C      -2.647596     -5.551110      2.311324
  N      -3.294936     -6.249690      3.457969
  C      -4.627346     -6.804489      3.041302
  C      -5.682570     -6.389353      4.054062
  N      -5.608960     -4.961763      4.324742
  Mo     -3.531428     -4.571842      4.977616
  N      -2.321635     -6.153156      6.029585
  C      -1.485808     -6.826411      5.055341
  C      -2.422413     -7.344796      3.982468
  H      -0.948020     -7.685696      5.487605
  H      -0.729611     -6.133521      4.639751
  H      -3.083722     -8.088940      4.444659
  H      -1.885330     -7.826533      3.149154
  H      -6.685270     -6.701775      3.722802
  H      -5.489605     -6.923914      5.003162
  H      -4.872450     -6.406986      2.049940
  H      -4.557595     -7.897662      2.946736
  H      -2.835998     -3.739034      1.194945
  H      -4.384863     -4.544150      1.483519
  H      -1.624791     -5.293894      2.616541
  H      -2.594869     -6.226341      1.439550
  C      -4.062090     -2.211579      2.977656
  C      -4.455107     -1.715946      1.696757
  C      -4.884870     -0.420555      1.503452
  Cl     -5.361539      0.005158     -0.102529
  C      -4.931363      0.531553      2.571181
  C      -5.450318      1.895768      2.459184
  O      -6.024802      2.391021      1.488920
  C      -5.250706      2.906464      3.602166
  O      -4.238978      3.028004      4.264673
  C      -4.529576      0.059914      3.821929
  C      -4.140008     -1.264306      4.075724
  C      -3.951503     -1.586814      5.450739
  O      -3.868972     -2.736847      5.968302
  C      -6.576361     -4.088297      3.962335
  C      -6.716123     -2.940980      4.803091
  C      -7.557885     -1.892923      4.523181
  Cl     -7.567850     -0.572173      5.655639
  C      -8.369088     -1.886567      3.349927
  C      -9.216297     -0.779508      2.916917
  O      -9.536022      0.214335      3.576113
  C      -9.715820     -0.708618      1.464463
  O      -9.061213     -1.006570      0.485467
  C      -8.322940     -3.056689      2.583351
  C      -7.491525     -4.152917      2.842089
  C      -7.537496     -5.213912      1.824151
  O      -8.411264     -5.321464      0.967588
  C      -1.927255     -6.087020      7.302533
  C      -0.639771     -6.504852      7.761353
  C      -0.295781     -6.464204      9.095062
  Cl      1.330210     -6.920796      9.489407
  C      -1.203530     -6.019869     10.111720
  C      -0.924149     -6.048931     11.547812
  O      -0.008967     -6.658068     12.105903
  C      -1.776509     -5.213708     12.522243
  O      -2.318725     -4.156315     12.272548
  C      -2.460380     -5.597903      9.664244
  C      -2.835812     -5.600408      8.317045
  C      -4.164458     -5.228186      7.978788
  O      -4.611200     -5.079036      6.809987
  H      -4.466432     -2.381314      0.837681
  H      -6.086924      3.645851      3.638760
  H      -4.566579      0.738712      4.672691
  H      -3.966554     -0.740957      6.157472
  H      -6.152413     -2.933795      5.731284
  H     -10.694497     -0.173537      1.392532
  H      -8.941852     -3.131079      1.689329
  H      -6.694661     -5.936242      1.813960
  H       0.115705     -6.824748      7.047227
  H      -1.721526     -5.632876     13.556931
  H      -3.196087     -5.260258     10.393863
  H      -4.877856     -5.072171      8.808385
  N      -1.793712     -3.860203      4.935069
  N      -1.235347     -2.791557      4.480082
  H      -0.262927     -2.595883      4.717473
  H      -1.667184     -2.258740      3.712641
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.588733455311
  N      -3.623254     -3.475881      3.143823
  C      -3.417131     -4.295387      1.950769
  C      -2.651651     -5.558055      2.309509
  N      -3.299947     -6.253443      3.458285
  C      -4.634001     -6.806243      3.043271
  C      -5.687107     -6.384641      4.055033
  N      -5.607232     -4.956021      4.322402
  Mo     -3.534504     -4.576770      4.973965
  N      -2.324548     -6.160924      6.029209
  C      -1.490517     -6.834575      5.054270
  C      -2.429241     -7.350805      3.982232
  H      -0.953289     -7.694873      5.485506
  H      -0.733454     -6.143310      4.637404
  H      -3.091635     -8.093271      4.445493
  H      -1.894114     -7.833559      3.148305
  H      -6.691228     -6.693492      3.724944
  H      -5.496224     -6.917752      5.005497
  H      -4.878276     -6.411697      2.050417
  H      -4.567529     -7.899941      2.953049
  H      -2.834355     -3.743351      1.194137
  H      -4.385333     -4.545944      1.480693
  H      -1.627305     -5.304498      2.612617
  H      -2.602728     -6.234881      1.438839
  C      -4.058161     -2.214768      2.978272
  C      -4.451923     -1.717247      1.698512
  C      -4.878317     -0.420422      1.505998
  Cl     -5.367163      0.002110     -0.097126
  C      -4.921465      0.531168      2.574218
  C      -5.425056      1.899918      2.462545
  O      -5.935367      2.426112      1.472207
  C      -5.290794      2.888284      3.632521
  O      -4.291852      3.037682      4.309871
  C      -4.523788      0.055446      3.825461
  C      -4.135020     -1.268566      4.077806
  C      -3.946248     -1.591290      5.453538
  O      -3.867322     -2.740899      5.971574
  C      -6.575526     -4.082696      3.960705
  C      -6.716567     -2.935869      4.801509
  C      -7.556840     -1.887104      4.519372
  Cl     -7.571131     -0.568573      5.654110
  C      -8.366097     -1.881001      3.344680
  C      -9.205970     -0.771581      2.905559
  O      -9.502898      0.239050      3.550438
  C      -9.726867     -0.714552      1.460675
  O      -9.078490     -1.005476      0.475016
  C      -8.320990     -3.052743      2.580024
  C      -7.489054     -4.148040      2.839711
  C      -7.529019     -5.207489      1.819815
  O      -8.405263     -5.321780      0.966829
  C      -1.927070     -6.088376      7.300282
  C      -0.637737     -6.502529      7.757746
  C      -0.290579     -6.455977      9.090304
  Cl      1.335792     -6.912603      9.483224
  C      -1.197134     -6.009285     10.107375
  C      -0.915419     -6.029142     11.542480
  O       0.015327     -6.612244     12.103258
  C      -1.781674     -5.209835     12.517355
  O      -2.308005     -4.141995     12.276795
  C      -2.456096     -5.592151      9.660990
  C      -2.834754     -5.599496      8.314820
  C      -4.164301     -5.228713      7.978419
  O      -4.614447     -5.082324      6.810417
  H      -4.469460     -2.383007      0.839753
  H      -6.157202      3.591256      3.675396
  H      -4.558326      0.733952      4.676625
  H      -3.959582     -0.744729      6.159523
  H      -6.156196     -2.929631      5.731640
  H     -10.714626     -0.195476      1.398118
  H      -8.937964     -3.127025      1.684689
  H      -6.677626     -5.919929      1.803674
  H       0.115742     -6.825580      7.042794
  H      -1.742110     -5.642599     13.546961
  H      -3.190666     -5.252662     10.391008
  H      -4.875412     -5.070732      8.809691
  N      -1.800637     -3.865747      4.935986
  N      -1.228906     -2.803563      4.481678
  H      -0.258298     -2.611573      4.729544
  H      -1.651877     -2.264944      3.713144
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.588757061465
  N      -3.621399     -3.476204      3.142240
  C      -3.415511     -4.296109      1.949554
  C      -2.649424     -5.558147      2.308718
  N      -3.297903     -6.253932      3.457056
  C      -4.631553     -6.806990      3.041018
  C      -5.685906     -6.384446      4.051145
  N      -5.605447     -4.955913      4.319642
  Mo     -3.534028     -4.577113      4.972612
  N      -2.324465     -6.162523      6.029042
  C      -1.489716     -6.835370      5.054271
  C      -2.427016     -7.351276      3.981136
  H      -0.952502     -7.695955      5.485090
  H      -0.732467     -6.143566      4.638635
  H      -3.089404     -8.094504      4.443166
  H      -1.890635     -7.833152      3.147505
  H      -6.689902     -6.692099      3.719463
  H      -5.497153     -6.918351      5.001596
  H      -4.873908     -6.414061      2.047058
  H      -4.565094     -7.900800      2.952555
  H      -2.833210     -3.744343      1.192395
  H      -4.383728     -4.547339      1.479866
  H      -1.625354     -5.304300      2.612478
  H      -2.599752     -6.234936      1.438069
  C      -4.054582     -2.214822      2.976505
  C      -4.446941     -1.717079      1.696325
  C      -4.871762     -0.419900      1.503307
  Cl     -5.362921      0.002174     -0.099274
  C      -4.915602      0.531772      2.571440
  C      -5.414225      1.901810      2.458162
  O      -5.901702      2.436010      1.460473
  C      -5.301449      2.884308      3.634671
  O      -4.311188      3.037371      4.324042
  C      -4.520952      0.055354      3.823396
  C      -4.132679     -1.268732      4.076049
  C      -3.947675     -1.591597      5.452160
  O      -3.869491     -2.740907      5.970530
  C      -6.575023     -4.082592      3.960867
  C      -6.715338     -2.937058      4.803587
  C      -7.555508     -1.887710      4.523519
  Cl     -7.569149     -0.570732      5.660006
  C      -8.366231     -1.880214      3.349858
  C      -9.204647     -0.769521      2.911672
  O      -9.495908      0.243857      3.554946
  C      -9.736127     -0.715674      1.470772
  O      -9.092225     -1.002332      0.480889
  C      -8.323561     -3.051861      2.584777
  C      -7.491079     -4.147264      2.841923
  C      -7.533701     -5.206192      1.821612
  O      -8.413061     -5.320956      0.972003
  C      -1.927716     -6.088870      7.300056
  C      -0.638940     -6.503385      7.758711
  C      -0.291974     -6.454573      9.091176
  Cl      1.333818     -6.912043      9.485411
  C      -1.198576     -6.005977     10.107432
  C      -0.917906     -6.023452     11.542581
  O       0.016571     -6.599156     12.104817
  C      -1.789628     -5.209751     12.516951
  O      -2.313936     -4.140380     12.278642
  C      -2.457282     -5.589221      9.659867
  C      -2.835414     -5.598089      8.313636
  C      -4.165029     -5.228063      7.976684
  O      -4.615594     -5.083462      6.808667
  H      -4.465639     -2.383138      0.837773
  H      -6.173394      3.580699      3.671836
  H      -4.555966      0.734246      4.674284
  H      -3.963465     -0.745032      6.158184
  H      -6.153735     -2.932093      5.732935
  H     -10.726691     -0.201276      1.414486
  H      -8.942530     -3.125452      1.690771
  H      -6.682263     -5.918349      1.802598
  H       0.114363     -6.828344      7.044450
  H      -1.753875     -5.646143     13.545163
  H      -3.191970     -5.248262     10.389110
  H      -4.876369     -5.069032      8.807566
  N      -1.799112     -3.867202      4.935140
  N      -1.224747     -2.806413      4.479171
  H      -0.253280     -2.617583      4.725681
  H      -1.642558     -2.272586      3.704894
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.588786090611
  N      -3.623034     -3.475500      3.143563
  C      -3.421015     -4.296497      1.951106
  C      -2.653395     -5.557846      2.308953
  N      -3.299698     -6.254820      3.457545
  C      -4.633645     -6.808933      3.043063
  C      -5.687416     -6.385331      4.053550
  N      -5.605610     -4.956759      4.321604
  Mo     -3.534791     -4.576820      4.974899
  N      -2.325165     -6.163921      6.029148
  C      -1.490942     -6.836379      5.053704
  C      -2.427381     -7.351818      3.980360
  H      -0.953492     -7.697352      5.483529
  H      -0.733818     -6.143812      4.638956
  H      -3.088862     -8.096626      4.441151
  H      -1.889948     -7.832115      3.146474
  H      -6.691845     -6.691959      3.722369
  H      -5.499050     -6.919660      5.003844
  H      -4.876105     -6.418934      2.047932
  H      -4.567086     -7.902936      2.957479
  H      -2.841362     -3.745909      1.191092
  H      -4.390711     -4.548292      1.484798
  H      -1.629170     -5.303559      2.611823
  H      -2.604120     -6.234092      1.437837
  C      -4.055109     -2.214086      2.978022
  C      -4.448082     -1.716308      1.697779
  C      -4.870736     -0.418629      1.504525
  Cl     -5.365912      0.003269     -0.096972
  C      -4.913396      0.533590      2.572477
  C      -5.404810      1.905813      2.456700
  O      -5.869507      2.446932      1.451736
  C      -5.320763      2.880840      3.641032
  O      -4.345414      3.034646      4.351367
  C      -4.521393      0.056433      3.824867
  C      -4.133406     -1.267875      4.077379
  C      -3.951665     -1.591064      5.453565
  O      -3.873286     -2.740208      5.971812
  C      -6.574816     -4.082990      3.962508
  C      -6.715237     -2.936896      4.804468
  C      -7.552435     -1.885984      4.521769
  Cl     -7.566500     -0.568053      5.657088
  C      -8.361404     -1.878171      3.346865
  C      -9.195714     -0.765888      2.905322
  O      -9.476856      0.254298      3.542395
  C      -9.732426     -0.716826      1.466492
  O      -9.090276     -1.003080      0.475244
  C      -8.320184     -3.050986      2.583293
  C      -7.489486     -4.147260      2.842391
  C      -7.530753     -5.205704      1.821380
  O      -8.409282     -5.320063      0.970854
  C      -1.927634     -6.089832      7.299755
  C      -0.639341     -6.506385      7.757937
  C      -0.290245     -6.455096      9.089720
  Cl      1.335064     -6.915151      9.482646
  C      -1.194720     -6.003247     10.106545
  C      -0.912714     -6.018321     11.541310
  O       0.026124     -6.587092     12.103368
  C      -1.789572     -5.212537     12.517264
  O      -2.314809     -4.142629     12.283111
  C      -2.453496     -5.585828      9.659534
  C      -2.833018     -5.595975      8.313780
  C      -4.163074     -5.226111      7.978548
  O      -4.616398     -5.083609      6.811153
  H      -4.469444     -2.382643      0.839459
  H      -6.198223      3.570841      3.667201
  H      -4.555548      0.735985      4.675315
  H      -3.970996     -0.744794      6.159966
  H      -6.155370     -2.932498      5.734827
  H     -10.723493     -0.203212      1.411690
  H      -8.937911     -3.124238      1.688362
  H      -6.678750     -5.917091      1.802304
  H       0.112360     -6.834458      7.043441
  H      -1.756790     -5.654628     13.543176
  H      -3.186927     -5.242492     10.388942
  H      -4.873084     -5.065778      8.810277
  N      -1.798531     -3.870126      4.934818
  N      -1.221680     -2.811054      4.475270
  H      -0.249290     -2.624878      4.719548
  H      -1.637013     -2.279298      3.698795
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.588807031522
  N      -3.622051     -3.474594      3.143546
  C      -3.421807     -4.296634      1.951543
  C      -2.653847     -5.557973      2.309146
  N      -3.299591     -6.256211      3.457145
  C      -4.633247     -6.811272      3.042587
  C      -5.687874     -6.387058      4.052587
  N      -5.605255     -4.958490      4.321193
  Mo     -3.535114     -4.576652      4.975689
  N      -2.326247     -6.164140      6.028345
  C      -1.491606     -6.837405      5.053689
  C      -2.426605     -7.352756      3.979787
  H      -0.954746     -7.698365      5.484211
  H      -0.733987     -6.144726      4.639831
  H      -3.087787     -8.098574      4.439369
  H      -1.887906     -7.832065      3.146142
  H      -6.692402     -6.692656      3.720733
  H      -5.500436     -6.921941      5.002668
  H      -4.875081     -6.423186      2.046631
  H      -4.566411     -7.905391      2.958824
  H      -2.843049     -3.747284      1.189955
  H      -4.392201     -4.548268      1.486763
  H      -1.629854     -5.303275      2.612492
  H      -2.603813     -6.233492      1.437491
  C      -4.053718     -2.213210      2.977808
  C      -4.446846     -1.715187      1.697546
  C      -4.866564     -0.416710      1.503843
  Cl     -5.364516      0.004259     -0.097088
  C      -4.906934      0.536294      2.571695
  C      -5.391817      1.910823      2.453747
  O      -5.836163      2.457724      1.442591
  C      -5.328711      2.880553      3.643248
  O      -4.364816      3.035489      4.369002
  C      -4.517335      0.058196      3.824426
  C      -4.131192     -1.266726      4.076942
  C      -3.952087     -1.590525      5.453241
  O      -3.875115     -2.740123      5.970818
  C      -6.574472     -4.084169      3.962802
  C      -6.716003     -2.939278      4.806025
  C      -7.552001     -1.887410      4.523334
  Cl     -7.567059     -0.570994      5.660300
  C      -8.359708     -1.878065      3.347490
  C      -9.191442     -0.764257      2.905105
  O      -9.466199      0.259539      3.539209
  C      -9.737699     -0.719610      1.469959
  O      -9.100685     -1.005775      0.475256
  C      -8.319682     -3.051124      2.584033
  C      -7.489523     -4.147864      2.842967
  C      -7.533057     -5.206821      1.822435
  O      -8.412257     -5.320022      0.972394
  C      -1.928448     -6.089493      7.298959
  C      -0.640223     -6.506477      7.756996
  C      -0.289904     -6.453582      9.088466
  Cl      1.335254     -6.914888      9.480255
  C      -1.193492     -6.000196     10.105492
  C      -0.910293     -6.012640     11.539974
  O       0.031963     -6.575732     12.102144
  C      -1.792902     -5.215047     12.517191
  O      -2.320370     -4.145298     12.286899
  C      -2.452681     -5.583440      9.658733
  C      -2.832852     -5.594508      8.313210
  C      -4.163067     -5.224783      7.978665
  O      -4.617447     -5.083512      6.811205
  H      -4.470815     -2.381704      0.839438
  H      -6.208638      3.567727      3.658640
  H      -4.549795      0.738224      4.674487
  H      -3.973165     -0.744743      6.160154
  H      -6.157686     -2.936512      5.737350
  H     -10.730772     -0.209397      1.419907
  H      -8.937663     -3.123975      1.689253
  H      -6.682473     -5.919814      1.803584
  H       0.110781     -6.836333      7.042613
  H      -1.763246     -5.662860     13.540699
  H      -3.185624     -5.239082     10.388137
  H      -4.872411     -5.064056      8.810797
  N      -1.798723     -3.870886      4.934083
  N      -1.220781     -2.813430      4.471671
  H      -0.249771     -2.624484      4.719043
  H      -1.639271     -2.277976      3.699657
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.588827284744
  N      -3.622797     -3.474126      3.144182
  C      -3.424772     -4.297418      1.952849
  C      -2.655940     -5.558315      2.309963
  N      -3.300339     -6.257753      3.457873
  C      -4.634050     -6.813263      3.044250
  C      -5.688658     -6.388423      4.054246
  N      -5.605241     -4.960001      4.322472
  Mo     -3.535184     -4.576510      4.977275
  N      -2.326767     -6.164770      6.028401
  C      -1.491566     -6.837691      5.053859
  C      -2.426149     -7.353486      3.979731
  H      -0.954502     -7.698313      5.484713
  H      -0.734165     -6.144490      4.640509
  H      -3.086520     -8.100377      4.438730
  H      -1.887019     -7.831767      3.145759
  H      -6.693332     -6.693321      3.722332
  H      -5.501399     -6.923155      5.004365
  H      -4.876293     -6.426198      2.047997
  H      -4.567127     -7.907447      2.961498
  H      -2.847460     -3.749229      1.189254
  H      -4.396091     -4.549313      1.490155
  H      -1.632124     -5.302605      2.613066
  H      -2.605449     -6.233153      1.437769
  C      -4.055476     -2.213236      2.978292
  C      -4.450324     -1.715764      1.698293
  C      -4.868864     -0.417061      1.504110
  Cl     -5.371077      0.001575     -0.096080
  C      -4.906916      0.536918      2.571751
  C      -5.387952      1.912892      2.452403
  O      -5.817628      2.463853      1.437073
  C      -5.344909      2.877565      3.646633
  O      -4.391668      3.035565      4.385751
  C      -4.517806      0.058649      3.824517
  C      -4.132012     -1.266467      4.077114
  C      -3.952297     -1.590167      5.453236
  O      -3.874957     -2.739875      5.970871
  C      -6.573113     -4.084521      3.963454
  C      -6.714448     -2.939753      4.806786
  C      -7.547921     -1.886226      4.522897
  Cl     -7.563623     -0.570917      5.661031
  C      -8.353701     -1.875179      3.345664
  C      -9.181447     -0.759185      2.901561
  O      -9.446563      0.269937      3.531235
  C      -9.732520     -0.716689      1.468375
  O      -9.098110     -1.002626      0.471878
  C      -8.315110     -3.048661      2.582583
  C      -7.487103     -4.146743      2.842540
  C      -7.532079     -5.205901      1.822067
  O      -8.410880     -5.317409      0.971453
  C      -1.928419     -6.090059      7.298976
  C      -0.639929     -6.506565      7.756707
  C      -0.288936     -6.453162      9.088033
  Cl      1.336261     -6.914962      9.478808
  C      -1.192283     -5.999780     10.105333
  C      -0.908136     -6.010445     11.539604
  O       0.039126     -6.565654     12.101248
  C      -1.794072     -5.217654     12.517591
  O      -2.322115     -4.147591     12.289962
  C      -2.451922     -5.583845      9.658951
  C      -2.832519     -5.595343      8.313579
  C      -4.162811     -5.225334      7.979505
  O      -4.617667     -5.084338      6.812180
  H      -4.476795     -2.383025      0.840829
  H      -6.228585      3.560080      3.652770
  H      -4.548584      0.739321      4.674054
  H      -3.972903     -0.744362      6.160082
  H      -6.158070     -2.938448      5.739310
  H     -10.725909     -0.206890      1.420632
  H      -8.932010     -3.120465      1.687035
  H      -6.683447     -5.921246      1.804609
  H       0.110860     -6.836978      7.042378
  H      -1.765426     -5.668524     13.539755
  H      -3.184621     -5.239380     10.388524
  H      -4.871563     -5.064123      8.812040
  N      -1.798425     -3.871674      4.932337
  N      -1.219919     -2.817044      4.465978
  H      -0.249258     -2.627103      4.713711
  H      -1.641510     -2.281157      3.695938
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.588848730798
  N      -3.625317     -3.473419      3.145095
  C      -3.429730     -4.298050      1.954490
  C      -2.659525     -5.558304      2.310884
  N      -3.301759     -6.258959      3.459232
  C      -4.635501     -6.815174      3.047491
  C      -5.689445     -6.389934      4.057865
  N      -5.605660     -4.961756      4.325137
  Mo     -3.535112     -4.575658      4.979435
  N      -2.326787     -6.164235      6.028706
  C      -1.490977     -6.836479      5.054033
  C      -2.425786     -7.353348      3.980063
  H      -0.953166     -7.696336      5.485328
  H      -0.734301     -6.142773      4.640393
  H      -3.084728     -8.101401      4.439203
  H      -1.886756     -7.830626      3.145432
  H      -6.694250     -6.694733      3.726407
  H      -5.501465     -6.923960      5.008207
  H      -4.879363     -6.428830      2.051296
  H      -4.568213     -7.909384      2.965415
  H      -2.854302     -3.750671      1.188788
  H      -4.402055     -4.550632      1.494215
  H      -1.635734     -5.301067      2.612814
  H      -2.608922     -6.232535      1.438186
  C      -4.059475     -2.213056      2.979271
  C      -4.457274     -1.716432      1.699928
  C      -4.875710     -0.417720      1.505545
  Cl     -5.383696     -0.001686     -0.093404
  C      -4.910886      0.537058      2.572842
  C      -5.389777      1.913772      2.452395
  O      -5.806283      2.467926      1.433340
  C      -5.358770      2.875790      3.649114
  O      -4.414029      3.033610      4.399108
  C      -4.520326      0.059113      3.825261
  C      -4.134172     -1.265967      4.077866
  C      -3.951236     -1.589185      5.453602
  O      -3.872459     -2.738872      5.971581
  C      -6.571597     -4.085096      3.964616
  C      -6.712380     -2.939933      4.807531
  C      -7.542864     -1.884580      4.521698
  Cl     -7.559370     -0.570213      5.660798
  C      -8.345555     -1.871680      3.342282
  C      -9.167098     -0.752688      2.894747
  O      -9.424131      0.281383      3.519836
  C      -9.724094     -0.713860      1.463947
  O      -9.094061     -1.003640      0.465736
  C      -8.308395     -3.045715      2.579878
  C      -7.483658     -4.145691      2.841904
  C      -7.529373     -5.205351      1.821787
  O      -8.406215     -5.314474      0.968954
  C      -1.927459     -6.089637      7.299222
  C      -0.638296     -6.504711      7.756328
  C      -0.286808     -6.451590      9.087589
  Cl      1.338616     -6.913455      9.477219
  C      -1.190243     -5.999360     10.105351
  C      -0.904952     -6.008444     11.539356
  O       0.044824     -6.559468     12.100918
  C      -1.796353     -5.223868     12.518920
  O      -2.327971     -4.154766     12.295105
  C      -2.450599     -5.584922      9.659684
  C      -2.831741     -5.596379      8.314470
  C      -4.162164     -5.226087      7.980960
  O      -4.617078     -5.084970      6.813794
  H      -4.486767     -2.384779      0.843389
  H      -6.242710      3.558040      3.646363
  H      -4.549062      0.740502      4.674294
  H      -3.969565     -0.743171      6.160165
  H      -6.158236     -2.939775      5.741451
  H     -10.717315     -0.203553      1.418489
  H      -8.922942     -3.116024      1.682605
  H      -6.683000     -5.923552      1.807033
  H       0.112683     -6.834547      7.041937
  H      -1.768834     -5.679678     13.538904
  H      -3.183222     -5.241269     10.389717
  H      -4.870404     -5.064476      8.813890
  N      -1.798911     -3.871732      4.929825
  N      -1.219022     -2.821099      4.458339
  H      -0.247613     -2.632317      4.704017
  H      -1.644151     -2.285759      3.689589
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.588867990587
  N      -3.626222     -3.472765      3.144838
  C      -3.430612     -4.297837      1.954560
  C      -2.659894     -5.557915      2.310939
  N      -3.301562     -6.259407      3.459217
  C      -4.634843     -6.816089      3.047800
  C      -5.688975     -6.390915      4.057782
  N      -5.605532     -4.962969      4.325083
  Mo     -3.534681     -4.575066      4.979637
  N      -2.327092     -6.163730      6.028594
  C      -1.490281     -6.835464      5.054305
  C      -2.424785     -7.352947      3.979877
  H      -0.952232     -7.694812      5.486234
  H      -0.733886     -6.141661      4.640479
  H      -3.082967     -8.101633      4.439051
  H      -1.885522     -7.829652      3.145059
  H      -6.693619     -6.695896      3.725870
  H      -5.500855     -6.924545      5.008339
  H      -4.879469     -6.429699      2.051771
  H      -4.567151     -7.910276      2.965621
  H      -2.855502     -3.750300      1.188678
  H      -4.402918     -4.550861      1.494442
  H      -1.636231     -5.299788      2.612566
  H      -2.608771     -6.231752      1.437950
  C      -4.060458     -2.212313      2.979037
  C      -4.459392     -1.715848      1.700182
  C      -4.877495     -0.416887      1.505877
  Cl     -5.388856     -0.002018     -0.092164
  C      -4.910680      0.537986      2.573055
  C      -5.387852      1.915175      2.452003
  O      -5.798599      2.470886      1.431485
  C      -5.367063      2.874825      3.650994
  O      -4.429301      3.032179      4.409801
  C      -4.519468      0.059874      3.825303
  C      -4.133527     -1.265206      4.077760
  C      -3.948100     -1.588501      5.453222
  O      -3.868859     -2.738375      5.971079
  C      -6.571005     -4.085952      3.964873
  C      -6.710860     -2.940797      4.808075
  C      -7.540588     -1.884771      4.522442
  Cl     -7.557049     -0.571563      5.662794
  C      -8.342653     -1.870818      3.342480
  C      -9.159927     -0.749634      2.893205
  O      -9.407987      0.289248      3.514201
  C      -9.721343     -0.712607      1.464249
  O      -9.095055     -1.006157      0.464719
  C      -8.307128     -3.045208      2.580518
  C      -7.483919     -4.146201      2.842838
  C      -7.532468     -5.207554      1.824580
  O      -8.408849     -5.315111      0.971131
  C      -1.927785     -6.089129      7.299366
  C      -0.638179     -6.502343      7.756666
  C      -0.287584     -6.450291      9.088272
  Cl      1.337844     -6.911708      9.478404
  C      -1.192246     -6.000260     10.105886
  C      -0.907145     -6.009286     11.539906
  O       0.046786     -6.553681     12.100982
  C      -1.798976     -5.225306     12.519572
  O      -2.329554     -4.155515     12.296388
  C      -2.452929     -5.587097      9.659985
  C      -2.833440     -5.597969      8.314602
  C      -4.163696     -5.227394      7.980425
  O      -4.617108     -5.085526      6.812882
  H      -4.490852     -2.384905      0.844241
  H      -6.252321      3.555382      3.642617
  H      -4.546904      0.741536      4.674196
  H      -3.963861     -0.742536      6.159839
  H      -6.156636     -2.941072      5.742013
  H     -10.713375     -0.199854      1.420660
  H      -8.921468     -3.114830      1.683018
  H      -6.688110     -5.928305      1.811413
  H       0.113782     -6.830705      7.042589
  H      -1.770231     -5.680584     13.539752
  H      -3.186241     -5.244840     10.389985
  H      -4.872422     -5.065798      8.812988
  N      -1.799353     -3.871328      4.927674
  N      -1.217521     -2.824206      4.451891
  H      -0.245576     -2.636467      4.696486
  H      -1.643853     -2.290949      3.682069
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.588889606291
  N      -3.627369     -3.472450      3.144415
  C      -3.431713     -4.297823      1.954264
  C      -2.660307     -5.557565      2.310629
  N      -3.301086     -6.259025      3.459538
  C      -4.634314     -6.816014      3.049218
  C      -5.687723     -6.390767      4.059555
  N      -5.604762     -4.962714      4.325600
  Mo     -3.533370     -4.574217      4.979474
  N      -2.326294     -6.163392      6.029166
  C      -1.489034     -6.834117      5.054653
  C      -2.423613     -7.352001      3.980068
  H      -0.950425     -7.693265      5.486327
  H      -0.733167     -6.140051      4.640398
  H      -3.081140     -8.101034      4.439613
  H      -1.884295     -7.828489      3.145167
  H      -6.692321     -6.696839      3.728494
  H      -5.498591     -6.923305      5.010583
  H      -4.880128     -6.429512      2.053455
  H      -4.566533     -7.910179      2.966847
  H      -2.857146     -3.749923      1.188232
  H      -4.403942     -4.551534      1.494296
  H      -1.636487     -5.299009      2.611326
  H      -2.609520     -6.231672      1.437836
  C      -4.061503     -2.211921      2.978435
  C      -4.461768     -1.716150      1.699923
  C      -4.880896     -0.417382      1.505699
  Cl     -5.395106     -0.003495     -0.091551
  C      -4.913592      0.537472      2.572688
  C      -5.391149      1.914342      2.451434
  O      -5.796423      2.471833      1.429679
  C      -5.376148      2.873087      3.651427
  O      -4.440866      3.032662      4.412822
  C      -4.520668      0.059907      3.824754
  C      -4.133445     -1.264639      4.077079
  C      -3.944952     -1.587502      5.452291
  O      -3.864586     -2.737061      5.970584
  C      -6.570088     -4.085747      3.965635
  C      -6.708167     -2.939787      4.808263
  C      -7.537048     -1.883210      4.522481
  Cl     -7.553245     -0.570329      5.663190
  C      -8.339430     -1.869017      3.342659
  C      -9.152770     -0.746013      2.891537
  O      -9.393161      0.297112      3.508696
  C      -9.719298     -0.711155      1.464648
  O      -9.096772     -1.007169      0.463447
  C      -8.306001     -3.044189      2.581779
  C      -7.484065     -4.145994      2.844392
  C      -7.533969     -5.208141      1.827112
  O      -8.410619     -5.315480      0.973931
  C      -1.927094     -6.088506      7.299978
  C      -0.637254     -6.500396      7.757440
  C      -0.287575     -6.449380      9.089365
  Cl      1.337823     -6.910258      9.480287
  C      -1.193273     -6.001101     10.106774
  C      -0.909066     -6.010602     11.540890
  O       0.045535     -6.553085     12.102660
  C      -1.803902     -5.230509     12.520994
  O      -2.334111     -4.160118     12.299816
  C      -2.454099     -5.588666      9.660544
  C      -2.833880     -5.598759      8.315013
  C      -4.163868     -5.227510      7.980196
  O      -4.616090     -5.084523      6.812441
  H      -4.494081     -2.386033      0.844654
  H      -6.263023      3.551490      3.640507
  H      -4.547324      0.741972      4.673355
  H      -3.958670     -0.741195      6.158558
  H      -6.153214     -2.939913      5.741766
  H     -10.710377     -0.196387      1.423685
  H      -8.920472     -3.113458      1.684338
  H      -6.690776     -5.930262      1.814875
  H       0.115422     -6.827405      7.043467
  H      -1.776745     -5.688553     13.539975
  H      -3.187976     -5.247470     10.390491
  H      -4.872903     -5.065813      8.812501
  N      -1.798677     -3.871145      4.925196
  N      -1.214481     -2.827777      4.444522
  H      -0.242775     -2.639607      4.689698
  H      -1.639092     -2.298459      3.671020
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.588937624450
  N      -3.630479     -3.470895      3.143867
  C      -3.434931     -4.296652      1.953693
  C      -2.661302     -5.555325      2.309457
  N      -3.299461     -6.256655      3.459963
  C      -4.632541     -6.814961      3.052229
  C      -5.684131     -6.390442      4.064081
  N      -5.603086     -4.962012      4.326925
  Mo     -3.529843     -4.571197      4.979387
  N      -2.324218     -6.161793      6.030825
  C      -1.486267     -6.830244      5.055709
  C      -2.420350     -7.348434      3.980284
  H      -0.946675     -7.689438      5.486226
  H      -0.731325     -6.135455      4.641051
  H      -3.076603     -8.098518      4.439949
  H      -1.880146     -7.824130      3.145519
  H      -6.688563     -6.700117      3.735807
  H      -5.491914     -6.920437      5.016025
  H      -4.881295     -6.428375      2.057101
  H      -4.564155     -7.909040      2.969276
  H      -2.862181     -3.747646      1.187137
  H      -4.407033     -4.552264      1.494434
  H      -1.636912     -5.296107      2.607555
  H      -2.611864     -6.230208      1.437210
  C      -4.063216     -2.209876      2.977348
  C      -4.465882     -1.715523      1.699366
  C      -4.887294     -0.417210      1.505589
  Cl     -5.405974     -0.004041     -0.090192
  C      -4.919500      0.537415      2.572227
  C      -5.399581      1.913084      2.451029
  O      -5.804387      2.470494      1.429035
  C      -5.389766      2.871566      3.651823
  O      -4.458411      3.030715      4.417961
  C      -4.522254      0.061448      3.823763
  C      -4.132225     -1.262014      4.075628
  C      -3.937588     -1.583954      5.450215
  O      -3.854244     -2.732647      5.969398
  C      -6.568288     -4.085618      3.967152
  C      -6.702679     -2.937504      4.808075
  C      -7.530200     -1.880283      4.521739
  Cl     -7.546563     -0.567455      5.662533
  C      -8.333404     -1.866246      3.342292
  C      -9.138535     -0.739769      2.886759
  O      -9.367512      0.309998      3.497488
  C      -9.717589     -0.710646      1.464937
  O      -9.105503     -1.015216      0.459812
  C      -8.304482     -3.043434      2.584352
  C      -7.484949     -4.146685      2.847927
  C      -7.537123     -5.210640      1.832998
  O      -8.413922     -5.317727      0.979873
  C      -1.926135     -6.087020      7.301914
  C      -0.636504     -6.497884      7.760141
  C      -0.289235     -6.449694      9.092834
  Cl      1.335615     -6.910441      9.486277
  C      -1.196959     -6.004570     10.109639
  C      -0.915618     -6.017307     11.544113
  O       0.038210     -6.559827     12.107084
  C      -1.813453     -5.241108     12.524821
  O      -2.342775     -4.169843     12.305903
  C      -2.457280     -5.591628      9.662286
  C      -2.834966     -5.599142      8.316257
  C      -4.163941     -5.225378      7.979910
  O      -4.613575     -5.079368      6.811624
  H      -4.499172     -2.386884      0.845322
  H      -6.277496      3.548773      3.637055
  H      -4.547384      0.744473      4.671668
  H      -3.947768     -0.736943      6.155799
  H      -6.146101     -2.936977      5.740594
  H     -10.706751     -0.191777      1.430483
  H      -8.919677     -3.112585      1.687381
  H      -6.696178     -5.935261      1.822971
  H       0.117522     -6.822396      7.046431
  H      -1.788483     -5.702658     13.542271
  H      -3.192209     -5.251981     10.391909
  H      -4.873751     -5.063305      8.811464
  N      -1.796074     -3.871281      4.918853
  N      -1.204991     -2.838043      4.424483
  H      -0.233888     -2.648367      4.670572
  H      -1.625672     -2.315761      3.644301
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.588978256618
  N      -3.631570     -3.468526      3.143349
  C      -3.435939     -4.294365      1.953001
  C      -2.660609     -5.552293      2.308123
  N      -3.296956     -6.253628      3.459603
  C      -4.629838     -6.813382      3.053076
  C      -5.680555     -6.389872      4.066170
  N      -5.601002     -4.961050      4.327160
  Mo     -3.526503     -4.568158      4.978928
  N      -2.322713     -6.160616      6.032187
  C      -1.484286     -6.827714      5.056893
  C      -2.417020     -7.344977      3.979929
  H      -0.944792     -7.687604      5.486296
  H      -0.729157     -6.132487      4.643199
  H      -3.073021     -8.096012      4.438396
  H      -1.875311     -7.819619      3.145563
  H      -6.684939     -6.702095      3.740030
  H      -5.486187     -6.918496      5.018443
  H      -4.880199     -6.426987      2.058284
  H      -4.560645     -7.907379      2.969725
  H      -2.864559     -3.744553      1.186050
  H      -4.407910     -4.551350      1.494307
  H      -1.635773     -5.292952      2.604520
  H      -2.612218     -6.227683      1.436224
  C      -4.063172     -2.207225      2.976402
  C      -4.467330     -1.713663      1.698662
  C      -4.889970     -0.415629      1.505241
  Cl     -5.411673     -0.003163     -0.089715
  C      -4.922027      0.539059      2.571698
  C      -5.403964      1.914009      2.450827
  O      -5.803764      2.473016      1.427634
  C      -5.397435      2.872309      3.651941
  O      -4.467421      3.033061      4.419378
  C      -4.521823      0.064069      3.822833
  C      -4.130038     -1.258799      4.074235
  C      -3.932239     -1.580060      5.448528
  O      -3.846709     -2.728096      5.968253
  C      -6.567094     -4.085716      3.968226
  C      -6.699030     -2.935801      4.807447
  C      -7.526989     -1.879103      4.521193
  Cl     -7.542827     -0.565329      5.660944
  C      -8.332934     -1.866954      3.343348
  C      -9.134712     -0.739463      2.885419
  O      -9.348130      0.318599      3.487789
  C      -9.721029     -0.714058      1.466662
  O      -9.114971     -1.023256      0.459227
  C      -8.307287     -3.046244      2.588473
  C      -7.487687     -4.149354      2.852314
  C      -7.543190     -5.216166      1.840834
  O      -8.421744     -5.324601      0.989561
  C      -1.925980     -6.086117      7.303569
  C      -0.636914     -6.497669      7.762669
  C      -0.291165     -6.451039      9.095781
  Cl      1.333039     -6.912689      9.490935
  C      -1.199909     -6.006871     10.112084
  C      -0.921052     -6.021935     11.546863
  O       0.030751     -6.566543     12.111294
  C      -1.822526     -5.250528     12.528077
  O      -2.350760     -4.178113     12.312095
  C      -2.459491     -5.592542      9.663671
  C      -2.835645     -5.598102      8.317241
  C      -4.163452     -5.221372      7.979836
  O      -4.611470     -5.072710      6.811108
  H      -4.501222     -2.385650      0.845167
  H      -6.285798      3.548576      3.634803
  H      -4.545601      0.747853      4.670136
  H      -3.940815     -0.732532      6.153629
  H      -6.140386     -2.934046      5.738761
  H     -10.707633     -0.190164      1.435752
  H      -8.925035     -3.117067      1.693383
  H      -6.702994     -5.941560      1.831097
  H       0.117578     -6.821584      7.049187
  H      -1.801837     -5.717197     13.543267
  H      -3.194833     -5.252885     10.392893
  H      -4.873746     -5.058619      8.810784
  N      -1.793496     -3.871332      4.913373
  N      -1.195000     -2.848497      4.405514
  H      -0.225844     -2.654976      4.655796
  H      -1.612904     -2.330030      3.621626
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.589021541462
  N      -3.631058     -3.465510      3.143530
  C      -3.436260     -4.291747      1.953147
  C      -2.659738     -5.549229      2.307416
  N      -3.294525     -6.250268      3.459818
  C      -4.627666     -6.810968      3.054204
  C      -5.677195     -6.388308      4.068968
  N      -5.598259     -4.959079      4.327951
  Mo     -3.522314     -4.564806      4.979297
  N      -2.321944     -6.160489      6.034588
  C      -1.483433     -6.826929      5.059209
  C      -2.414545     -7.341955      3.980102
  H      -0.945125     -7.688257      5.487355
  H      -0.727069     -6.131655      4.647742
  H      -3.071195     -8.093831      4.436241
  H      -1.871140     -7.815323      3.146143
  H      -6.681864     -6.702427      3.745658
  H      -5.480491     -6.915835      5.021323
  H      -4.879244     -6.424589      2.059767
  H      -4.557912     -7.904881      2.970362
  H      -2.866304     -3.741865      1.185210
  H      -4.408535     -4.549577      1.495705
  H      -1.634335     -5.290345      2.602209
  H      -2.612775     -6.225000      1.435740
  C      -4.062762     -2.204466      2.975963
  C      -4.469483     -1.712218      1.698421
  C      -4.893980     -0.414834      1.505132
  Cl     -5.419389     -0.004118     -0.089192
  C      -4.925547      0.540710      2.570951
  C      -5.410690      1.914653      2.450437
  O      -5.813173      2.472452      1.427557
  C      -5.410025      2.872228      3.652047
  O      -4.481145      3.038057      4.419783
  C      -4.521857      0.067213      3.821607
  C      -4.127727     -1.255025      4.072797
  C      -3.927114     -1.575003      5.446860
  O      -3.839007     -2.722228      5.967349
  C      -6.564260     -4.084172      3.968570
  C      -6.694326     -2.932570      4.806000
  C      -7.521754     -1.875877      4.519019
  Cl     -7.537619     -0.561251      5.657847
  C      -8.328940     -1.864935      3.341820
  C      -9.127707     -0.736601      2.881386
  O      -9.333669      0.325936      3.478643
  C      -9.726717     -0.717690      1.467991
  O      -9.130201     -1.031793      0.456358
  C      -8.306058     -3.046095      2.589678
  C      -7.486845     -4.149335      2.854247
  C      -7.544160     -5.217470      1.844381
  O      -8.424337     -5.327060      0.994822
  C      -1.926771     -6.087137      7.306307
  C      -0.638939     -6.501935      7.766482
  C      -0.294370     -6.456851      9.099830
  Cl      1.328636     -6.921540      9.496449
  C      -1.203164     -6.011711     10.115708
  C      -0.926608     -6.029802     11.550771
  O       0.023532     -6.576899     12.115699
  C      -1.827689     -5.258069     12.532057
  O      -2.351757     -4.183258     12.317801
  C      -2.461209     -5.593679      9.666240
  C      -2.836033     -5.596982      8.319388
  C      -4.161961     -5.214953      7.981243
  O      -4.608771     -5.062704      6.812322
  H      -4.503988     -2.384611      0.845321
  H      -6.302291      3.543268      3.634765
  H      -4.544269      0.751982      4.668068
  H      -3.934985     -0.726770      6.151232
  H      -6.135323     -2.930447      5.737125
  H     -10.713660     -0.194068      1.443877
  H      -8.925227     -3.118031      1.695671
  H      -6.704429     -5.943274      1.834463
  H       0.115250     -6.826976      7.053245
  H      -1.810878     -5.727591     13.545962
  H      -3.196232     -5.252383     10.394993
  H      -4.872408     -5.050407      8.811640
  N      -1.789159     -3.872720      4.907777
  N      -1.182165     -2.863155      4.383460
  H      -0.215805     -2.664074      4.639450
  H      -1.598941     -2.347156      3.597693
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.589085589830
  N      -3.627643     -3.459750      3.143984
  C      -3.433516     -4.286507      1.953739
  C      -2.655909     -5.543494      2.307336
  N      -3.289894     -6.244255      3.460052
  C      -4.623125     -6.805983      3.053438
  C      -5.672188     -6.385686      4.069965
  N      -5.594007     -4.956421      4.329061
  Mo     -3.516294     -4.559045      4.980332
  N      -2.321813     -6.159274      6.038069
  C      -1.482939     -6.826234      5.063395
  C      -2.410953     -7.337148      3.980571
  H      -0.947774     -7.690004      5.490620
  H      -0.723459     -6.131445      4.656797
  H      -3.069521     -8.090195      4.431951
  H      -1.864756     -7.808372      3.147226
  H      -6.677304     -6.700866      3.749209
  H      -5.473110     -6.913730      5.021445
  H      -4.874813     -6.418701      2.059535
  H      -4.552027     -7.899689      2.968082
  H      -2.864828     -3.737113      1.184460
  H      -4.406250     -4.544997      1.497820
  H      -1.630123     -5.285099      2.601261
  H      -2.609789     -6.219269      1.435609
  C      -4.062126     -2.200003      2.975286
  C      -4.472364     -1.710071      1.697600
  C      -4.900304     -0.414125      1.503804
  Cl     -5.427801     -0.006219     -0.090955
  C      -4.932004      0.543405      2.568175
  C      -5.425246      1.914902      2.448361
  O      -5.845382      2.465142      1.428539
  C      -5.414311      2.875950      3.646733
  O      -4.479371      3.043427      4.406673
  C      -4.523049      0.073058      3.818112
  C      -4.125802     -1.248494      4.070050
  C      -3.923319     -1.565908      5.444188
  O      -3.831104     -2.712031      5.965808
  C      -6.560212     -4.082190      3.968894
  C      -6.690011     -2.929404      4.804742
  C      -7.518671     -1.873833      4.517735
  Cl     -7.534671     -0.557881      5.655132
  C      -8.327826     -1.865064      3.341730
  C      -9.129627     -0.738440      2.881962
  O      -9.334323      0.324889      3.478106
  C      -9.736109     -0.723865      1.471734
  O      -9.146063     -1.041068      0.457321
  C      -8.305335     -3.047407      2.591326
  C      -7.484449     -4.149559      2.856002
  C      -7.543626     -5.218888      1.847353
  O      -8.426269     -5.330290      1.000499
  C      -1.929316     -6.089357      7.310571
  C      -0.644153     -6.512138      7.772692
  C      -0.300998     -6.469823      9.106220
  Cl      1.319661     -6.941614      9.504298
  C      -1.208774     -6.020952     10.121610
  C      -0.935054     -6.044318     11.557192
  O       0.009027     -6.602239     12.121842
  C      -1.830217     -5.265094     12.537757
  O      -2.349460     -4.188219     12.322185
  C      -2.463451     -5.594784      9.670650
  C      -2.836559     -5.594366      8.323085
  C      -4.159083     -5.202569      7.984332
  O      -4.604760     -5.044528      6.815486
  H      -4.506232     -2.382255      0.844329
  H      -6.306895      3.546700      3.635411
  H      -4.544647      0.759256      4.663424
  H      -3.932138     -0.716616      6.147381
  H      -6.130732     -2.926697      5.735782
  H     -10.724009     -0.201728      1.451912
  H      -8.926456     -3.121394      1.698892
  H      -6.703325     -5.944010      1.835612
  H       0.108977     -6.840555      7.059961
  H      -1.816081     -5.733639     13.552170
  H      -3.197381     -5.249581     10.398650
  H      -4.869432     -5.034291      8.814013
  N      -1.782036     -3.874110      4.901100
  N      -1.162737     -2.885222      4.353027
  H      -0.201017     -2.677391      4.618585
  H      -1.582348     -2.367523      3.570156
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.589121960265
  N      -3.622229     -3.455585      3.143364
  C      -3.427619     -4.282979      1.953610
  C      -2.650668     -5.540156      2.308213
  N      -3.286117     -6.240159      3.460531
  C      -4.619461     -6.801289      3.051567
  C      -5.668759     -6.382242      4.068283
  N      -5.589784     -4.953337      4.329562
  Mo     -3.512099     -4.555084      4.980456
  N      -2.322738     -6.158953      6.040507
  C      -1.483231     -6.827138      5.066863
  C      -2.409285     -7.334793      3.981432
  H      -0.951156     -7.692667      5.494325
  H      -0.720821     -6.133414      4.664059
  H      -3.069872     -8.088075      4.429426
  H      -1.861822     -7.804903      3.148277
  H      -6.674342     -6.695845      3.747577
  H      -5.469517     -6.912068      5.018744
  H      -4.869842     -6.412414      2.058056
  H      -4.547909     -7.894833      2.964724
  H      -2.858378     -3.734476      1.184020
  H      -4.400394     -4.541207      1.497692
  H      -1.624986     -5.282100      2.602852
  H      -2.604026     -6.215917      1.436511
  C      -4.061339     -2.197619      2.973676
  C      -4.474058     -1.710123      1.695711
  C      -4.904924     -0.415469      1.500415
  Cl     -5.432969     -0.011225     -0.095337
  C      -4.937375      0.544197      2.563050
  C      -5.436463      1.913824      2.442663
  O      -5.869954      2.458001      1.425259
  C      -5.415892      2.878894      3.637171
  O      -4.472046      3.053099      4.384600
  C      -4.525581      0.076499      3.812930
  C      -4.125775     -1.244198      4.066598
  C      -3.922683     -1.558750      5.441298
  O      -3.827701     -2.703814      5.964386
  C      -6.556642     -4.079411      3.969716
  C      -6.687731     -2.927296      4.805951
  C      -7.518601     -1.872976      4.520329
  Cl     -7.533856     -0.556842      5.657547
  C      -8.329254     -1.865309      3.345389
  C      -9.137481     -0.741483      2.889042
  O      -9.348088      0.318585      3.488623
  C      -9.744708     -0.727549      1.479105
  O      -9.154151     -1.041010      0.463867
  C      -8.304484     -3.046904      2.593826
  C      -7.480838     -4.147467      2.857037
  C      -7.539359     -5.215847      1.846953
  O      -8.423817     -5.328786      1.002299
  C      -1.931797     -6.092055      7.313562
  C      -0.648775     -6.521314      7.777225
  C      -0.306610     -6.481506      9.110883
  Cl      1.311890     -6.960243      9.509689
  C      -1.213318     -6.029161     10.125949
  C      -0.941015     -6.055899     11.561884
  O      -0.001461     -6.622065     12.125965
  C      -1.830271     -5.269298     12.541640
  O      -2.344288     -4.190211     12.324558
  C      -2.465171     -5.596487      9.673941
  C      -2.837151     -5.593316      8.325874
  C      -4.156828     -5.193036      7.986947
  O      -4.601849     -5.030410      6.818510
  H      -4.506820     -2.382229      0.842299
  H      -6.311010      3.546343      3.634962
  H      -4.547578      0.763571      4.657471
  H      -3.932737     -0.708237      6.143035
  H      -6.127723     -2.924226      5.736611
  H     -10.735218     -0.210242      1.460225
  H      -8.926272     -3.121702      1.701961
  H      -6.696310     -5.937903      1.831349
  H       0.103561     -6.852662      7.065056
  H      -1.817777     -5.735735     13.557070
  H      -3.198221     -5.248105     10.401300
  H      -4.866577     -5.020814      8.816386
  N      -1.777163     -3.874574      4.898408
  N      -1.148996     -2.900895      4.334760
  H      -0.192397     -2.684574      4.611439
  H      -1.572326     -2.380698      3.555490
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.589147181680
  N      -3.617275     -3.452249      3.141905
  C      -3.420849     -4.280395      1.952906
  C      -2.644775     -5.537625      2.309612
  N      -3.282462     -6.237102      3.461077
  C      -4.615449     -6.797544      3.049601
  C      -5.665463     -6.379703      4.065634
  N      -5.585877     -4.951389      4.329852
  Mo     -3.509307     -4.551580      4.980097
  N      -2.323608     -6.157250      6.041758
  C      -1.482743     -6.826456      5.069419
  C      -2.407351     -7.332775      3.982406
  H      -0.952789     -7.692605      5.498087
  H      -0.718593     -6.133551      4.668789
  H      -3.068967     -8.086215      4.428611
  H      -1.859319     -7.802308      3.149273
  H      -6.671109     -6.691390      3.743304
  H      -5.466965     -6.911491      5.015250
  H      -4.864504     -6.406931      2.056463
  H      -4.543427     -7.890936      2.961323
  H      -2.850269     -3.732515      1.183777
  H      -4.393098     -4.538489      1.495768
  H      -1.619650     -5.279069      2.605766
  H      -2.596338     -6.213416      1.438037
  C      -4.061649     -2.196096      2.970890
  C      -4.476016     -1.711580      1.692472
  C      -4.910262     -0.418266      1.495009
  Cl     -5.436258     -0.017181     -0.102203
  C      -4.944547      0.543181      2.555818
  C      -5.449226      1.910773      2.434066
  O      -5.900228      2.446966      1.420223
  C      -5.408536      2.883041      3.622093
  O      -4.453080      3.057626      4.354542
  C      -4.530556      0.078639      3.806012
  C      -4.128148     -1.240838      4.062149
  C      -3.924196     -1.552482      5.437476
  O      -3.826363     -2.696498      5.962026
  C      -6.553943     -4.077718      3.971484
  C      -6.686885     -2.927543      4.809758
  C      -7.520936     -1.874686      4.527108
  Cl     -7.535195     -0.559502      5.665434
  C      -8.333222     -1.867112      3.353493
  C      -9.149749     -0.746388      2.903045
  O      -9.372940      0.305987      3.511206
  C      -9.748555     -0.727134      1.489387
  O      -9.151001     -1.033831      0.476224
  C      -8.304592     -3.046320      2.598409
  C      -7.477596     -4.145154      2.858567
  C      -7.533822     -5.210921      1.845248
  O      -8.419336     -5.324746      1.001978
  C      -1.933943     -6.093440      7.315506
  C      -0.652654     -6.527152      7.780527
  C      -0.312149     -6.491034      9.114667
  Cl      1.304553     -6.975217      9.514322
  C      -1.218662     -6.037233     10.129395
  C      -0.947540     -6.067454     11.565738
  O      -0.013327     -6.642943     12.129179
  C      -1.830414     -5.272647     12.544567
  O      -2.342645     -4.193422     12.324031
  C      -2.468090     -5.599374      9.676358
  C      -2.838498     -5.593239      8.327757
  C      -4.155865     -5.186003      7.988448
  O      -4.599739     -5.019657      6.820348
  H      -4.506477     -2.384142      0.839281
  H      -6.301113      3.553892      3.629928
  H      -4.554300      0.766326      4.650091
  H      -3.935502     -0.700799      6.137802
  H      -6.125165     -2.924204      5.739398
  H     -10.740901     -0.213431      1.466843
  H      -8.926565     -3.120818      1.706663
  H      -6.687762     -5.929551      1.825746
  H       0.100026     -6.859263      7.069077
  H      -1.816013     -5.734169     13.562275
  H      -3.201067     -5.249493     10.403088
  H      -4.865045     -5.010449      8.817789
  N      -1.773263     -3.873722      4.897575
  N      -1.139021     -2.910740      4.323455
  H      -0.186657     -2.687678      4.609284
  H      -1.566209     -2.388471      3.547429
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.589165076122
  N      -3.613985     -3.450340      3.139665
  C      -3.415753     -4.279554      1.951660
  C      -2.640236     -5.536561      2.310751
  N      -3.279666     -6.235764      3.461541
  C      -4.612272     -6.795530      3.048681
  C      -5.662869     -6.377874      4.063642
  N      -5.582280     -4.950000      4.329846
  Mo     -3.507862     -4.549137      4.979157
  N      -2.324174     -6.155834      6.042218
  C      -1.481708     -6.825127      5.070900
  C      -2.405435     -7.331667      3.983131
  H      -0.952506     -7.691042      5.500811
  H      -0.717185     -6.132510      4.670742
  H      -3.067077     -8.085245      4.429084
  H      -1.857327     -7.801096      3.149978
  H      -6.668333     -6.687717      3.738951
  H      -5.465980     -6.910939      5.012973
  H      -4.860514     -6.404011      2.055651
  H      -4.540294     -7.888871      2.959846
  H      -2.844023     -3.732154      1.182986
  H      -4.387298     -4.537976      1.493145
  H      -1.615720     -5.277096      2.608181
  H      -2.589909     -6.212669      1.439532
  C      -4.062186     -2.195501      2.967446
  C      -4.477456     -1.713621      1.688664
  C      -4.914100     -0.421207      1.489081
  Cl     -5.439088     -0.022905     -0.108882
  C      -4.950058      0.541431      2.548483
  C      -5.456812      1.908010      2.424774
  O      -5.915605      2.440260      1.412441
  C      -5.405136      2.885200      3.608495
  O      -4.442298      3.061724      4.330753
  C      -4.535288      0.079251      3.799306
  C      -4.130745     -1.238969      4.057644
  C      -3.925616     -1.548142      5.433503
  O      -3.825569     -2.690944      5.959814
  C      -6.551737     -4.076359      3.974044
  C      -6.685953     -2.928438      4.814926
  C      -7.522706     -1.876627      4.535440
  Cl     -7.535874     -0.562850      5.675372
  C      -8.336455     -1.868395      3.363048
  C      -9.158560     -0.749546      2.917448
  O      -9.392152      0.296214      3.532872
  C      -9.748853     -0.724106      1.500169
  O      -9.143635     -1.023476      0.489382
  C      -8.304921     -3.045137      2.604350
  C      -7.475231     -4.142625      2.861181
  C      -7.528360     -5.205433      1.844479
  O      -8.414008     -5.319827      1.001585
  C      -1.935143     -6.093876      7.316417
  C      -0.654698     -6.528861      7.782345
  C      -0.315926     -6.495927      9.117077
  Cl      1.299627     -6.983118      9.517712
  C      -1.223077     -6.042711     10.131485
  C      -0.952961     -6.075247     11.568087
  O      -0.021564     -6.655222     12.131471
  C      -1.833404     -5.277231     12.546634
  O      -2.344869     -4.197925     12.324791
  C      -2.471200     -5.602373      9.677556
  C      -2.840049     -5.594063      8.328562
  C      -4.156027     -5.182503      7.988759
  O      -4.598758     -5.014054      6.820851
  H      -4.506181     -2.387364      0.836311
  H      -6.296764      3.557202      3.622396
  H      -4.560843      0.767324      4.643055
  H      -3.937435     -0.695190      6.132344
  H      -6.122342     -2.925104      5.743392
  H     -10.742554     -0.213253      1.473876
  H      -8.927032     -3.118675      1.712604
  H      -6.679076     -5.920289      1.821666
  H       0.099101     -6.860028      7.071628
  H      -1.817926     -5.736678     13.565288
  H      -3.204721     -5.252515     10.403748
  H      -4.864548     -5.004498      8.818254
  N      -1.771533     -3.872643      4.897620
  N      -1.133667     -2.916423      4.316418
  H      -0.184258     -2.688379      4.608037
  H      -1.562397     -2.395936      3.539923
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.589173949460
  N      -3.611438     -3.449333      3.137675
  C      -3.411687     -4.279655      1.950567
  C      -2.636762     -5.536507      2.311563
  N      -3.277636     -6.235751      3.461620
  C      -4.609801     -6.795127      3.048113
  C      -5.660834     -6.377170      4.062176
  N      -5.578977     -4.949459      4.329168
  Mo     -3.507333     -4.547809      4.978277
  N      -2.324643     -6.154284      6.041938
  C      -1.480800     -6.823746      5.071732
  C      -2.403726     -7.331352      3.983600
  H      -0.951844     -7.689047      5.503041
  H      -0.716500     -6.131198      4.671132
  H      -3.065059     -8.085016      4.429909
  H      -1.855341     -7.800996      3.150748
  H      -6.666017     -6.685707      3.735363
  H      -5.465649     -6.910803      5.011570
  H      -4.857656     -6.403442      2.054998
  H      -4.538184     -7.888503      2.959324
  H      -2.838989     -3.732671      1.182280
  H      -4.382542     -4.538405      1.490735
  H      -1.612742     -5.276532      2.610216
  H      -2.584916     -6.212905      1.440644
  C      -4.062264     -2.195386      2.963942
  C      -4.477717     -1.715871      1.684660
  C      -4.916486     -0.424206      1.483216
  Cl     -5.439901     -0.027858     -0.115406
  C      -4.954527      0.539106      2.541659
  C      -5.462496      1.904963      2.416144
  O      -5.926731      2.434295      1.404808
  C      -5.402366      2.886179      3.596551
  O      -4.435190      3.061884      4.313131
  C      -4.539526      0.079050      3.793241
  C      -4.133024     -1.237970      4.053310
  C      -3.926926     -1.545598      5.429477
  O      -3.825067     -2.687611      5.956761
  C      -6.549732     -4.075511      3.976341
  C      -6.684660     -2.929927      4.820063
  C      -7.523652     -1.878816      4.543883
  Cl     -7.535801     -0.566640      5.685665
  C      -8.339026     -1.869389      3.372815
  C      -9.165333     -0.751670      2.931780
  O      -9.408235      0.287764      3.554146
  C      -9.746967     -0.719221      1.510881
  O      -9.134706     -1.012997      0.502708
  C      -8.305487     -3.043656      2.610510
  C      -7.473517     -4.140134      2.863740
  C      -7.523756     -5.199777      1.843713
  O      -8.409399     -5.314373      1.000856
  C      -1.936082     -6.093225      7.316585
  C      -0.655912     -6.527668      7.782937
  C      -0.318664     -6.497328      9.118295
  Cl      1.296532     -6.984997      9.519637
  C      -1.226832     -6.046015     10.132488
  C      -0.957618     -6.080407     11.569272
  O      -0.028085     -6.663111     12.132810
  C      -1.837434     -5.281312     12.547832
  O      -2.349899     -4.202660     12.325204
  C      -2.474479     -5.604811      9.677917
  C      -2.841887     -5.594814      8.328637
  C      -4.157161     -5.181093      7.988186
  O      -4.598570     -5.011505      6.820121
  H      -4.504254     -2.390985      0.833308
  H      -6.291999      3.560761      3.613070
  H      -4.567133      0.767466      4.636711
  H      -3.939405     -0.691881      6.127444
  H      -6.119480     -2.927170      5.747535
  H     -10.740854     -0.209021      1.480813
  H      -8.928207     -3.115940      1.719039
  H      -6.672106     -5.911724      1.818535
  H       0.099324     -6.856824      7.072794
  H      -1.820574     -5.739657     13.566981
  H      -3.208792     -5.255891     10.403769
  H      -4.865347     -5.002144      8.817810
  N      -1.769761     -3.871491      4.898365
  N      -1.130959     -2.918269      4.313042
  H      -0.183442     -2.686023      4.607519
  H      -1.560387     -2.399771      3.535557
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.589180159505
  N      -3.610588     -3.449321      3.136138
  C      -3.410510     -4.280523      1.949717
  C      -2.635516     -5.537033      2.311525
  N      -3.276638     -6.236430      3.461313
  C      -4.608627     -6.795746      3.048004
  C      -5.659906     -6.377097      4.061536
  N      -5.576972     -4.949330      4.328276
  Mo     -3.507370     -4.547465      4.977673
  N      -2.324864     -6.153777      6.041729
  C      -1.480262     -6.822920      5.072046
  C      -2.402588     -7.331494      3.983727
  H      -0.950963     -7.687721      5.503905
  H      -0.716416     -6.130143      4.670933
  H      -3.063653     -8.085196      4.430397
  H      -1.853766     -7.801413      3.151328
  H      -6.664904     -6.684964      3.733491
  H      -5.466192     -6.910780      5.011176
  H      -4.856423     -6.404600      2.054642
  H      -4.537434     -7.889202      2.959718
  H      -2.837734     -3.733949      1.181183
  H      -4.381095     -4.539808      1.489611
  H      -1.611657     -5.276905      2.610572
  H      -2.583181     -6.213708      1.440833
  C      -4.061938     -2.195685      2.961610
  C      -4.477275     -1.717047      1.682037
  C      -4.916692     -0.425650      1.479926
  Cl     -5.439851     -0.029889     -0.118735
  C      -4.955554      0.537827      2.538120
  C      -5.463346      1.903580      2.411932
  O      -5.927630      2.432736      1.400489
  C      -5.402985      2.885684      3.591875
  O      -4.435552      3.061994      4.307880
  C      -4.540655      0.078580      3.790087
  C      -4.133422     -1.238008      4.050715
  C      -3.926929     -1.544940      5.426987
  O      -3.824441     -2.686344      5.955168
  C      -6.548531     -4.075070      3.977763
  C      -6.683566     -2.930854      4.823177
  C      -7.523507     -1.879967      4.548742
  Cl     -7.535216     -0.568573      5.691440
  C      -8.339822     -1.869642      3.378431
  C      -9.167409     -0.752056      2.939463
  O      -9.414140      0.284597      3.564918
  C      -9.745272     -0.715918      1.517003
  O      -9.130127     -1.007531      0.509996
  C      -8.305881     -3.042707      2.614349
  C      -7.472823     -4.138718      2.865565
  C      -7.521143     -5.196571      1.843837
  O      -8.406363     -5.311363      1.000536
  C      -1.936478     -6.092595      7.316482
  C      -0.656181     -6.525948      7.782944
  C      -0.319615     -6.496222      9.118574
  Cl      1.295732     -6.982927      9.520428
  C      -1.228465     -6.046302     10.132623
  C      -0.960021     -6.081508     11.569437
  O      -0.030531     -6.663913     12.133331
  C      -1.841180     -5.283961     12.548295
  O      -2.354290     -4.205486     12.326477
  C      -2.476220     -5.605392      9.677738
  C      -2.842976     -5.594984      8.328351
  C      -4.158210     -5.181270      7.987466
  O      -4.598992     -5.011650      6.819196
  H      -4.502844     -2.393035      0.831375
  H      -6.292640      3.560228      3.607843
  H      -4.569019      0.767294      4.633274
  H      -3.939601     -0.690659      6.124322
  H      -6.117840     -2.928759      5.750286
  H     -10.738923     -0.205424      1.485533
  H      -8.929209     -3.114238      1.723227
  H      -6.668012     -5.906667      1.817678
  H       0.099877     -6.853870      7.073111
  H      -1.824463     -5.743500     13.566902
  H      -3.210957     -5.257151     10.403476
  H      -4.866361     -5.002311      8.817106
  N      -1.769719     -3.870858      4.898965
  N      -1.131471     -2.918309      4.311559
  H      -0.184617     -2.683560      4.606078
  H      -1.560477     -2.402263      3.532338
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.589180858919
  N      -3.608810     -3.449499      3.135067
  C      -3.408538     -4.281357      1.949141
  C      -2.633992     -5.537913      2.311372
  N      -3.275825     -6.237340      3.460702
  C      -4.607690     -6.796469      3.047236
  C      -5.659252     -6.376897      4.060261
  N      -5.574735     -4.948989      4.326557
  Mo     -3.507268     -4.547747      4.977288
  N      -2.325377     -6.153700      6.041588
  C      -1.480434     -6.823198      5.072576
  C      -2.402084     -7.332210      3.983891
  H      -0.951295     -7.687825      5.504974
  H      -0.716499     -6.130513      4.671328
  H      -3.063500     -8.085660      4.430491
  H      -1.852581     -7.802545      3.152183
  H      -6.664253     -6.683810      3.731360
  H      -5.467054     -6.910684      5.010097
  H      -4.855136     -6.405901      2.053567
  H      -4.537067     -7.890016      2.959473
  H      -2.835479     -3.735262      1.180466
  H      -4.378949     -4.540760      1.488775
  H      -1.610178     -5.278356      2.611084
  H      -2.581486     -6.214673      1.440738
  C      -4.060820     -2.196261      2.959599
  C      -4.476077     -1.718375      1.679655
  C      -4.916393     -0.427374      1.477115
  Cl     -5.438787     -0.032031     -0.121864
  C      -4.956341      0.536289      2.535119
  C      -5.465373      1.901553      2.408757
  O      -5.932521      2.429410      1.397914
  C      -5.403247      2.885002      3.587701
  O      -4.435041      3.061931      4.302435
  C      -4.541180      0.077923      3.787366
  C      -4.133074     -1.238309      4.048299
  C      -3.926410     -1.544872      5.424614
  O      -3.823551     -2.686064      5.953104
  C      -6.546963     -4.074240      3.978267
  C      -6.682084     -2.931422      4.825327
  C      -7.523025     -1.880771      4.552774
  Cl     -7.534057     -0.570100      5.696339
  C      -8.340558     -1.869573      3.383378
  C      -9.170300     -0.752438      2.947032
  O      -9.421218      0.281016      3.576015
  C      -9.745079     -0.712796      1.523259
  O      -9.128133     -1.003049      0.517009
  C      -8.306152     -3.041389      2.617421
  C      -7.471739     -4.136831      2.866433
  C      -7.518456     -5.192766      1.842886
  O      -8.403675     -5.307826      0.999533
  C      -1.937253     -6.092109      7.316499
  C      -0.656840     -6.524782      7.782992
  C      -0.320588     -6.495007      9.118763
  Cl      1.295091     -6.980392      9.520883
  C      -1.229829     -6.045958     10.132703
  C      -0.962051     -6.081911     11.569545
  O      -0.032837     -6.664606     12.133629
  C      -1.843912     -5.285209     12.548635
  O      -2.357537     -4.206885     12.327404
  C      -2.477736     -5.605286      9.677635
  C      -2.844108     -5.594717      8.328183
  C      -4.159290     -5.181240      7.986807
  O      -4.599299     -5.011471      6.818160
  H      -4.500271     -2.394875      0.829382
  H      -6.292876      3.559591      3.603625
  H      -4.570256      0.766997      4.630211
  H      -3.939458     -0.690381      6.121696
  H      -6.115986     -2.930181      5.752197
  H     -10.738237     -0.201427      1.490975
  H      -8.930341     -3.112298      1.726850
  H      -6.663912     -5.901067      1.815395
  H       0.099666     -6.852023      7.073339
  H      -1.827280     -5.745679     13.566825
  H      -3.212639     -5.257381     10.403356
  H      -4.867828     -5.002798      8.816172
  N      -1.768689     -3.870540      4.900140
  N      -1.131927     -2.917651      4.311503
  H      -0.185949     -2.679644      4.606253
  H      -1.561131     -2.402677      3.531739
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.589184195937
  N      -3.607786     -3.449787      3.134414
  C      -3.407682     -4.281943      1.948765
  C      -2.633216     -5.538458      2.311079
  N      -3.275327     -6.237829      3.460222
  C      -4.607163     -6.796911      3.046577
  C      -5.659024     -6.376586      4.059114
  N      -5.573480     -4.948628      4.325209
  Mo     -3.507024     -4.548036      4.977192
  N      -2.325714     -6.154134      6.041831
  C      -1.480647     -6.823653      5.073032
  C      -2.401838     -7.332636      3.984016
  H      -0.951553     -7.688332      5.505420
  H      -0.716501     -6.130981      4.672098
  H      -3.063638     -8.085940      4.430289
  H      -1.851812     -7.803134      3.152746
  H      -6.664121     -6.682695      3.729775
  H      -5.467899     -6.910556      5.009046
  H      -4.854206     -6.406859      2.052617
  H      -4.536773     -7.890510      2.959286
  H      -2.834661     -3.736178      1.179815
  H      -4.378120     -4.541490      1.488567
  H      -1.609386     -5.279265      2.611065
  H      -2.580734     -6.215213      1.440431
  C      -4.060065     -2.196801      2.958697
  C      -4.475662     -1.719030      1.678675
  C      -4.916380     -0.428249      1.476281
  Cl     -5.438995     -0.032951     -0.122739
  C      -4.956407      0.535547      2.534234
  C      -5.466595      1.900414      2.408329
  O      -5.935533      2.427666      1.397971
  C      -5.404288      2.884071      3.587059
  O      -4.436034      3.061702      4.301508
  C      -4.540551      0.077515      3.786369
  C      -4.132123     -1.238709      4.047210
  C      -3.925227     -1.544987      5.423519
  O      -3.822429     -2.686012      5.952411
  C      -6.546011     -4.073607      3.978186
  C      -6.681172     -2.931467      4.826004
  C      -7.522519     -1.880897      4.554277
  Cl     -7.533190     -0.570521      5.698194
  C      -8.340577     -1.869251      3.385273
  C      -9.171369     -0.752310      2.950196
  O      -9.423673      0.279860      3.580663
  C      -9.745672     -0.711390      1.526188
  O      -9.128978     -1.001533      0.519802
  C      -8.306017     -3.040532      2.618470
  C      -7.470949     -4.135691      2.866504
  C      -7.516810     -5.190675      1.842030
  O      -8.402091     -5.306101      0.998785
  C      -1.937761     -6.092112      7.316736
  C      -0.657346     -6.524829      7.783376
  C      -0.321081     -6.494400      9.119084
  Cl      1.294744     -6.979189      9.521456
  C      -1.230344     -6.045136     10.132890
  C      -0.963033     -6.081247     11.569758
  O      -0.033667     -6.663608     12.133990
  C      -1.845402     -5.285199     12.548896
  O      -2.358988     -4.206768     12.328183
  C      -2.478239     -5.604506      9.677684
  C      -2.844590     -5.594213      8.328206
  C      -4.159723     -5.181000      7.986548
  O      -4.599432     -5.011209      6.817707
  H      -4.499559     -2.395570      0.828439
  H      -6.294283      3.558191      3.602855
  H      -4.569424      0.766919      4.628936
  H      -3.938106     -0.690298      6.120355
  H      -6.114976     -2.930676      5.752819
  H     -10.738567     -0.199470      1.494268
  H      -8.930530     -3.111150      1.728123
  H      -6.661271     -5.897768      1.813590
  H       0.099077     -6.852395      7.073806
  H      -1.829193     -5.746443     13.566741
  H      -3.213023     -5.256328     10.403387
  H      -4.868705     -5.002753      8.815541
  N      -1.768403     -3.870769      4.900705
  N      -1.132548     -2.918141      4.310728
  H      -0.186835     -2.678498      4.605026
  H      -1.562203     -2.404037      3.530661
78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670597-lYvN/orca E -7753.589184036417
  N      -3.605954     -3.450090      3.133981
  C      -3.405828     -4.282330      1.948453
  C      -2.631887     -5.539067      2.310986
  N      -3.274841     -6.238187      3.459785
  C      -4.606656     -6.796959      3.045502
  C      -5.658889     -6.375805      4.057351
  N      -5.572120     -4.947878      4.323625
  Mo     -3.506549     -4.548518      4.977182
  N      -2.326155     -6.154754      6.042111
  C      -1.481100     -6.824637      5.073558
  C      -2.401973     -7.333261      3.984215
  H      -0.952393     -7.689540      5.506005
  H      -0.716439     -6.132212      4.673158
  H      -3.064392     -8.086278      4.430042
  H      -1.851574     -7.803967      3.153299
  H      -6.664168     -6.680704      3.727485
  H      -5.468893     -6.910183      5.007289
  H      -4.852940     -6.407212      2.051239
  H      -4.536552     -7.890602      2.958633
  H      -2.832509     -3.736836      1.179520
  H      -4.376258     -4.541701      1.488156
  H      -1.608094     -5.280367      2.611551
  H      -2.579262     -6.215738      1.440280
  C      -4.059074     -2.197478      2.958032
  C      -4.475244     -1.720030      1.677977
  C      -4.916726     -0.429574      1.475639
  Cl     -5.439510     -0.034594     -0.123545
  C      -4.957019      0.534467      2.533391
  C      -5.469133      1.898676      2.407829
  O      -5.941391      2.424486      1.398257
  C      -5.405108      2.883169      3.585690
  O      -4.435909      3.061652      4.298639
  C      -4.540195      0.076936      3.785397
  C      -4.131142     -1.239139      4.046240
  C      -3.923859     -1.545135      5.422549
  O      -3.821208     -2.686188      5.951544
  C      -6.544903     -4.072556      3.977747
  C      -6.680218     -2.931132      4.826335
  C      -7.522186     -1.880739      4.555605
  Cl     -7.532278     -0.570755      5.699972
  C      -8.340885     -1.868755      3.387081
  C      -9.173451     -0.752322      2.953725
  O      -9.427711      0.278111      3.586149
  C      -9.747340     -0.710098      1.529508
  O      -9.130962     -0.999808      0.522842
  C      -8.305796     -3.039354      2.619221
  C      -7.469846     -4.134108      2.866130
  C      -7.514912     -5.188018      1.840496
  O      -8.400614     -5.303927      0.997781
  C      -1.938389     -6.092309      7.317051
  C      -0.658097     -6.525441      7.783920
  C      -0.321782     -6.494428      9.119556
  Cl      1.294012     -6.979223      9.522132
  C      -1.230966     -6.044577     10.133200
  C      -0.963916     -6.080651     11.570132
  O      -0.034622     -6.663130     12.134410
  C      -1.846196     -5.284512     12.549164
  O      -2.359499     -4.205919     12.328545
  C      -2.478719     -5.603779      9.677827
  C      -2.845049     -5.593721      8.328313
  C      -4.160000     -5.180403      7.986344
  O      -4.599320     -5.010382      6.817317
  H      -4.498742     -2.396467      0.827640
  H      -6.295338      3.556978      3.602287
  H      -4.568985      0.766621      4.627728
  H      -3.936452     -0.690406      6.119305
  H      -6.113667     -2.930624      5.752945
  H     -10.740084     -0.197803      1.498072
  H      -8.930551     -3.109687      1.729038
  H      -6.658113     -5.893590      1.810509
  H       0.098093     -6.853633      7.074402
  H      -1.830263     -5.745903     13.566950
  H      -3.213359     -5.255158     10.403460
  H      -4.869535     -5.002231      8.814852
  N      -1.767332     -3.871335      4.901596
  N      -1.132328     -2.918808      4.310786
  H      -0.186965     -2.677742      4.605170
  H      -1.562825     -2.404996      3.530914
