90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.148435243262
  N      -3.223872     -4.175988      2.666464
  C      -2.860986     -5.042929      1.559165
  C      -2.287535     -6.312079      2.176524
  N      -3.195349     -6.716869      3.277056
  C      -4.328271     -7.466777      2.688066
  C      -5.562097     -7.174438      3.526826
  N      -5.503653     -5.772451      3.861430
  Mo     -3.845537     -4.909292      4.354532
  N      -2.131010     -5.391764      5.053970
  C      -1.540286     -6.715874      5.051029
  C      -2.462304     -7.600051      4.210111
  H      -1.464403     -7.114168      6.070807
  H      -0.522479     -6.685475      4.641132
  H      -3.191099     -8.100209      4.855363
  H      -1.896879     -8.356357      3.655105
  H      -6.462974     -7.423680      2.960131
  H      -5.577514     -7.776407      4.451098
  H      -4.507655     -7.108096      1.671301
  H      -4.112350     -8.537899      2.647246
  H      -2.106820     -4.582588      0.917307
  H      -3.749263     -5.261808      0.948170
  H      -1.297762     -6.089599      2.583759
  H      -2.190408     -7.117668      1.442184
  C      -3.011501     -2.759887      2.426226
  C      -4.050676     -2.188932      1.412157
  C      -3.851318     -0.729078      1.174737
  S      -3.542790     -0.124701     -0.327812
  C      -3.915871      0.203453      2.286605
  O      -4.042813     -0.111310      3.458146
  C      -1.589634     -2.416507      2.013379
  C      -1.143219     -2.420004      0.694671
  C       0.162161     -2.066756      0.390223
  C       1.046950     -1.692551      1.386508
  C       0.587355     -1.681555      2.689787
  F       1.421878     -1.301431      3.687308
  C      -0.705747     -2.040883      3.018302
  C      -6.777278     -5.142187      4.226050
  C      -7.014034     -3.882733      3.355520
  C      -6.688624     -2.606330      4.082171
  S      -7.760463     -1.309384      3.993249
  C      -5.510549     -2.491344      4.796899
  O      -4.644210     -3.440221      4.793692
  C      -7.976107     -6.069063      4.167901
  C      -8.444236     -6.643894      5.343154
  C      -9.549572     -7.478934      5.333971
  C     -10.208632     -7.757389      4.149379
  C      -9.730101     -7.181893      2.986695
  F     -10.354164     -7.442775      1.814170
  C      -8.628575     -6.347420      2.969708
  C      -1.620260     -4.500865      6.061928
  C      -2.298583     -4.840981      7.438076
  C      -3.764358     -4.892789      7.224851
  S      -4.462894     -6.286352      6.543055
  C      -4.632638     -3.818938      7.574195
  O      -5.809148     -3.735289      7.223540
  C      -0.102004     -4.494978      6.117335
  C       0.593259     -4.416376      4.912565
  C       1.975396     -4.396183      4.886846
  C       2.698482     -4.444046      6.066934
  C       1.995834     -4.514878      7.253274
  F       2.676210     -4.558091      8.423155
  C       0.612587     -4.547576      7.304445
  H      -3.186647     -2.245920      3.378206
  H      -5.040560     -2.323849      1.856916
  H      -4.003672     -2.722935      0.464398
  H      -3.823869      1.261268      1.993998
  H      -1.808982     -2.662766     -0.117405
  H       0.489229     -2.071310     -0.637385
  H       2.061684     -1.401459      1.167900
  H      -1.022157     -2.003275      4.049075
  H      -6.704724     -4.815121      5.277734
  H      -6.404728     -3.961716      2.445165
  H      -8.060114     -3.831342      3.053527
  H      -5.282287     -1.574158      5.333363
  H      -7.946140     -6.429871      6.276639
  H      -9.904058     -7.911258      6.256280
  H     -11.074541     -8.398824      4.117275
  H      -8.305612     -5.929437      2.029205
  H      -1.949626     -3.473932      5.801382
  H      -1.921516     -5.805025      7.787084
  H      -2.045763     -4.059427      8.154129
  H      -4.179505     -3.023955      8.197166
  H       0.038290     -4.355697      3.987584
  H       2.497013     -4.335594      3.945005
  H       3.776092     -4.422312      6.077446
  H       0.139770     -4.606808      8.270209
  N      -2.471966     -3.290190      4.523970
  N      -1.666180     -2.340367      4.623369
  H      -0.667279     -2.506520      4.746491
  H      -1.984544     -1.372029      4.584195
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.272354721466
  N      -3.228366     -4.133891      2.667685
  C      -2.857838     -5.010209      1.569430
  C      -2.275196     -6.274158      2.188541
  N      -3.183460     -6.688838      3.287044
  C      -4.311938     -7.443803      2.690813
  C      -5.553178     -7.162864      3.524201
  N      -5.512450     -5.758115      3.864818
  Mo     -3.853099     -4.882668      4.373082
  N      -2.126297     -5.388844      5.102464
  C      -1.541494     -6.714327      5.085712
  C      -2.452780     -7.577733      4.222162
  H      -1.481918     -7.132307      6.100507
  H      -0.516660     -6.680444      4.690551
  H      -3.188854     -8.082262      4.856151
  H      -1.883368     -8.329669      3.662397
  H      -6.448886     -7.418250      2.950486
  H      -5.568433     -7.770004      4.446734
  H      -4.489158     -7.082475      1.673703
  H      -4.087079     -8.514438      2.647533
  H      -2.106115     -4.546076      0.925516
  H      -3.744397     -5.241738      0.957653
  H      -1.286237     -6.046751      2.597230
  H      -2.173407     -7.079882      1.452612
  C      -3.019759     -2.717502      2.382693
  C      -4.061177     -2.173103      1.354612
  C      -3.860790     -0.718819      1.073933
  S      -3.557505     -0.152800     -0.447589
  C      -3.918055      0.246538      2.163227
  O      -4.038196     -0.037261      3.348884
  C      -1.598888     -2.386132      1.953583
  C      -1.167647     -2.427861      0.627246
  C       0.136361     -2.085590      0.293473
  C       1.037542     -1.685931      1.268299
  C       0.593645     -1.638577      2.578240
  F       1.447898     -1.239462      3.555552
  C      -0.698313     -1.984344      2.937658
  C      -6.799130     -5.136183      4.225193
  C      -7.046631     -3.873558      3.357338
  C      -6.741690     -2.589681      4.083897
  S      -7.825833     -1.303079      3.988991
  C      -5.565125     -2.460866      4.806052
  O      -4.683477     -3.404119      4.810188
  C      -7.989101     -6.075161      4.157334
  C      -8.457661     -6.660198      5.330476
  C      -9.557046     -7.508209      5.312414
  C     -10.209075     -7.789359      4.120848
  C      -9.729635     -7.203222      2.961172
  F     -10.346822     -7.466492      1.783440
  C      -8.634912     -6.356269      2.952953
  C      -1.594490     -4.544410      6.158946
  C      -2.285972     -4.928363      7.517219
  C      -3.756291     -4.936209      7.301071
  S      -4.454977     -6.293431      6.557057
  C      -4.603590     -3.855678      7.702510
  O      -5.782489     -3.722858      7.364529
  C      -0.078426     -4.554368      6.205353
  C       0.603581     -4.410802      4.994645
  C       1.987158     -4.385328      4.951781
  C       2.727127     -4.498791      6.120646
  C       2.037803     -4.636645      7.313076
  F       2.735330     -4.743137      8.469790
  C       0.652939     -4.671584      7.381932
  H      -3.198904     -2.176433      3.314105
  H      -5.050418     -2.296335      1.807856
  H      -4.018616     -2.733308      0.419871
  H      -3.825436      1.298154      1.839907
  H      -1.847383     -2.692151     -0.169970
  H       0.449753     -2.119972     -0.740713
  H       2.053313     -1.404548      1.027765
  H      -0.992130     -1.914000      3.980795
  H      -6.734789     -4.812829      5.278826
  H      -6.431220     -3.944854      2.449046
  H      -8.092591     -3.832838      3.049935
  H      -5.347700     -1.540214      5.343344
  H      -7.964213     -6.443726      6.268955
  H      -9.912648     -7.948902      6.233580
  H     -11.070500     -8.440940      4.081570
  H      -8.310837     -5.930002      2.013392
  H      -1.905176     -3.511362      5.961045
  H      -1.928996     -5.915761      7.825928
  H      -2.019340     -4.182324      8.269174
  H      -4.127164     -3.100928      8.361586
  H       0.035251     -4.298223      4.079394
  H       2.494794     -4.267008      4.004743
  H       3.807452     -4.475395      6.118742
  H       0.190879     -4.781605      8.351516
  N      -2.479157     -3.217968      4.556483
  N      -1.673744     -2.256389      4.630425
  H      -0.661170     -2.431048      4.765569
  H      -1.998170     -1.277849      4.586136
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.364268487937
  N      -3.232658     -4.096999      2.665819
  C      -2.855597     -4.984788      1.577622
  C      -2.265875     -6.242336      2.199025
  N      -3.174111     -6.664947      3.296189
  C      -4.300335     -7.423190      2.693137
  C      -5.547831     -7.153855      3.520349
  N      -5.525181     -5.746889      3.868280
  Mo     -3.861736     -4.859020      4.394338
  N      -2.117373     -5.384521      5.148209
  C      -1.541131     -6.714135      5.115899
  C      -2.444809     -7.559382      4.233724
  H      -1.493548     -7.150019      6.125951
  H      -0.511142     -6.679288      4.729968
  H      -3.187230     -8.067606      4.858049
  H      -1.872909     -8.307721      3.668332
  H      -6.438472     -7.414504      2.939125
  H      -5.563100     -7.767467      4.440357
  H      -4.474921     -7.058068      1.675914
  H      -4.067231     -8.493550      2.646756
  H      -2.105453     -4.519605      0.930990
  H      -3.740852     -5.228460      0.965078
  H      -1.277194     -6.011388      2.609392
  H      -2.160900     -7.049323      1.462128
  C      -3.027213     -2.680876      2.344534
  C      -4.070034     -2.154171      1.306744
  C      -3.866814     -0.704364      0.996667
  S      -3.567192     -0.158824     -0.536171
  C      -3.916991      0.281118      2.075428
  O      -4.032101      0.013235      3.270461
  C      -1.601732     -2.365151      1.909433
  C      -1.178631     -2.436669      0.577639
  C       0.127275     -2.109699      0.223492
  C       1.042876     -1.696571      1.183646
  C       0.608747     -1.621491      2.497675
  F       1.478799     -1.213285      3.462124
  C      -0.684347     -1.950092      2.880494
  C      -6.825283     -5.132783      4.225556
  C      -7.084912     -3.865088      3.363114
  C      -6.802772     -2.572883      4.089556
  S      -7.899366     -1.297516      3.989107
  C      -5.627462     -2.428675      4.819650
  O      -4.730111     -3.364391      4.831545
  C      -8.004747     -6.085163      4.146731
  C      -8.472434     -6.683390      5.317054
  C      -9.564612     -7.546064      5.288707
  C     -10.209583     -7.828706      4.089622
  C      -9.730358     -7.228856      2.933972
  F     -10.340867     -7.493378      1.750702
  C      -8.643984     -6.367800      2.935720
  C      -1.571628     -4.571397      6.234311
  C      -2.275955     -4.980527      7.579513
  C      -3.750475     -4.958355      7.359746
  S      -4.449334     -6.292736      6.575594
  C      -4.579082     -3.867438      7.794059
  O      -5.758627     -3.694366      7.467246
  C      -0.055921     -4.594739      6.267907
  C       0.611684     -4.412375      5.049506
  C       1.997519     -4.386856      4.986680
  C       2.755181     -4.542399      6.143793
  C       2.079922     -4.719874      7.342677
  F       2.795383     -4.866824      8.485197
  C       0.693095     -4.753467      7.431630
  H      -3.211740     -2.120262      3.258339
  H      -5.059217     -2.268156      1.767259
  H      -4.033130     -2.732379      0.380532
  H      -3.822903      1.330163      1.734622
  H      -1.870148     -2.712073     -0.209598
  H       0.431271     -2.167059     -0.815713
  H       2.061748     -1.427447      0.928180
  H      -0.956314     -1.854146      3.930647
  H      -6.768793     -4.815184      5.281626
  H      -6.463319     -3.926910      2.456692
  H      -8.130849     -3.835494      3.050365
  H      -5.420230     -1.504743      5.358247
  H      -7.983317     -6.465233      6.260853
  H      -9.920468     -7.997527      6.208179
  H     -11.065619     -8.491751      4.042009
  H      -8.319671     -5.930747      1.997650
  H      -1.866895     -3.534086      6.073964
  H      -1.935784     -5.983003      7.864501
  H      -1.998881     -4.257128      8.353960
  H      -4.081024     -3.141723      8.474328
  H       0.028310     -4.268103      4.144041
  H       2.491393     -4.234898      4.032675
  H       3.838444     -4.520883      6.128186
  H       0.241898     -4.894160      8.405956
  N      -2.481898     -3.155546      4.604717
  N      -1.680108     -2.199723      4.663174
  H      -0.660547     -2.387288      4.813904
  H      -2.003321     -1.211911      4.619700
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.431646816229
  N      -3.233814     -4.061138      2.663507
  C      -2.852363     -4.961449      1.585588
  C      -2.257664     -6.212683      2.208792
  N      -3.165629     -6.641753      3.304380
  C      -4.291568     -7.400951      2.696178
  C      -5.543355     -7.141304      3.517544
  N      -5.536647     -5.733057      3.871062
  Mo     -3.868021     -4.834383      4.414556
  N      -2.107763     -5.381423      5.192812
  C      -1.542940     -6.716435      5.142392
  C      -2.439926     -7.543007      4.242471
  H      -1.508256     -7.171109      6.146601
  H      -0.508016     -6.682064      4.765712
  H      -3.189469     -8.053946      4.856780
  H      -1.867621     -8.288539      3.671018
  H      -6.429449     -7.406125      2.929395
  H      -5.559289     -7.761029      4.434983
  H      -4.463358     -7.031886      1.679079
  H      -4.051755     -8.471062      2.646788
  H      -2.103255     -4.497645      0.935489
  H      -3.736667     -5.215659      0.972644
  H      -1.268934     -5.980185      2.620859
  H      -2.151242     -7.021237      1.471349
  C      -3.031665     -2.647150      2.310091
  C      -4.079924     -2.139424      1.267218
  C      -3.877821     -0.694548      0.928598
  S      -3.588037     -0.166866     -0.614359
  C      -3.919081      0.309373      1.997652
  O      -4.024632      0.055923      3.199182
  C      -1.603622     -2.345108      1.864802
  C      -1.191400     -2.444584      0.528161
  C       0.114483     -2.132666      0.152242
  C       1.045368     -1.707460      1.095901
  C       0.622468     -1.606057      2.413152
  F       1.508651     -1.189901      3.363221
  C      -0.670184     -1.917639      2.819206
  C      -6.848132     -5.126261      4.224317
  C      -7.119288     -3.855402      3.366332
  C      -6.859793     -2.555643      4.090974
  S      -7.966489     -1.290686      3.984268
  C      -5.686266     -2.397022      4.828639
  O      -4.775676     -3.322685      4.849807
  C      -8.016307     -6.091932      4.135830
  C      -8.482316     -6.702162      5.303269
  C      -9.565976     -7.579196      5.265659
  C     -10.203564     -7.864464      4.060345
  C      -9.725442     -7.252099      2.908743
  F     -10.329269     -7.519067      1.720781
  C      -8.648657     -6.377115      2.919280
  C      -1.551532     -4.602990      6.305668
  C      -2.265630     -5.034481      7.638287
  C      -3.741351     -4.982137      7.415017
  S      -4.444106     -6.290707      6.592853
  C      -4.548158     -3.881296      7.880960
  O      -5.725764     -3.668621      7.567634
  C      -0.036351     -4.636851      6.327805
  C       0.620579     -4.413415      5.106644
  C       2.007873     -4.383422      5.030096
  C       2.778335     -4.579484      6.176124
  C       2.113346     -4.799039      7.375916
  F       2.841985     -4.984836      8.505487
  C       0.725417     -4.835190      7.479064
  H      -3.219876     -2.067987      3.208965
  H      -5.066918     -2.246299      1.738129
  H      -4.051017     -2.734526      0.349587
  H      -3.826652      1.355689      1.640712
  H      -1.895715     -2.730373     -0.247241
  H       0.407049     -2.211877     -0.891446
  H       2.066006     -1.450467      0.824937
  H      -0.922092     -1.798611      3.871160
  H      -6.798878     -4.813804      5.282379
  H      -6.491704     -3.908500      2.461983
  H      -8.164841     -3.836875      3.047868
  H      -5.487925     -1.469976      5.367879
  H      -7.997571     -6.481370      6.251517
  H      -9.921407     -8.040459      6.183388
  H     -11.053320     -8.538888      4.005193
  H      -8.324721     -5.930122      1.982852
  H      -1.834317     -3.561691      6.181419
  H      -1.942156     -6.050100      7.901240
  H      -1.977961     -4.333223      8.432787
  H      -4.027446     -3.186128      8.580029
  H       0.025892     -4.239169      4.210552
  H       2.491294     -4.195412      4.073772
  H       3.863835     -4.556676      6.151353
  H       0.281167     -5.007961      8.454477
  N      -2.483403     -3.091181      4.649875
  N      -1.685780     -2.143266      4.691325
  H      -0.663239     -2.339138      4.857541
  H      -2.006159     -1.148572      4.647616
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.480241470240
  N      -3.232809     -4.028100      2.662383
  C      -2.849321     -4.940201      1.593512
  C      -2.251600     -6.185878      2.216599
  N      -3.159040     -6.620842      3.309776
  C      -4.286695     -7.377808      2.697266
  C      -5.540390     -7.126597      3.514099
  N      -5.546984     -5.718367      3.873340
  Mo     -3.872533     -4.811861      4.434048
  N      -2.098434     -5.380541      5.232111
  C      -1.545966     -6.721268      5.161297
  C      -2.438106     -7.530466      4.245704
  H      -1.522620     -7.194484      6.158799
  H      -0.507001     -6.687824      4.792189
  H      -3.194488     -8.043995      4.850186
  H      -1.867269     -8.273431      3.667300
  H      -6.422714     -7.393751      2.919798
  H      -5.557343     -7.753199      4.428100
  H      -4.455708     -7.003472      1.680991
  H      -4.041953     -8.447669      2.643459
  H      -2.100706     -4.479590      0.939673
  H      -3.733043     -5.202244      0.980181
  H      -1.262613     -5.954123      2.630728
  H      -2.145236     -6.995504      1.478258
  C      -3.032775     -2.617121      2.282030
  C      -4.088963     -2.126810      1.237608
  C      -3.891274     -0.687154      0.871501
  S      -3.615911     -0.176520     -0.680605
  C      -3.922361      0.335127      1.930116
  O      -4.015180      0.097075      3.136222
  C      -1.602443     -2.328104      1.825177
  C      -1.204021     -2.451955      0.484127
  C       0.100237     -2.156342      0.085526
  C       1.048196     -1.723696      1.011289
  C       0.639528     -1.599023      2.331458
  F       1.542880     -1.178524      3.265895
  C      -0.651058     -1.892458      2.760891
  C      -6.867696     -5.118961      4.223362
  C      -7.150168     -3.845776      3.370682
  C      -6.911973     -2.540942      4.094561
  S      -8.026451     -1.284978      3.984213
  C      -5.739954     -2.371363      4.838852
  O      -4.818643     -3.285554      4.867859
  C      -8.024569     -6.097261      4.126253
  C      -8.487357     -6.719664      5.290354
  C      -9.561675     -7.610246      5.244337
  C     -10.192797     -7.897375      4.034204
  C      -9.717485     -7.272362      2.886923
  F     -10.315761     -7.541013      1.695241
  C      -8.650992     -6.384032      2.905352
  C      -1.536916     -4.633317      6.364831
  C      -2.257386     -5.081501      7.688106
  C      -3.731968     -5.005086      7.461280
  S      -4.440777     -6.289658      6.607981
  C      -4.517300     -3.894575      7.952328
  O      -5.691460     -3.647300      7.652789
  C      -0.021903     -4.672995      6.378242
  C       0.629029     -4.414777      5.158219
  C       2.017366     -4.378157      5.075224
  C       2.795094     -4.605673      6.213069
  C       2.135680     -4.860857      7.409711
  F       2.872015     -5.077163      8.529807
  C       0.747164     -4.901899      7.519982
  H      -3.223639     -2.021355      3.168479
  H      -5.072066     -2.228191      1.720850
  H      -4.069669     -2.737152      0.328268
  H      -3.834008      1.377937      1.556395
  H      -1.922514     -2.744475     -0.278192
  H       0.378864     -2.254687     -0.962348
  H       2.069437     -1.479715      0.724047
  H      -0.882368     -1.753872      3.812117
  H      -6.824281     -4.812533      5.283340
  H      -6.517630     -3.889471      2.468013
  H      -8.195130     -3.837651      3.046786
  H      -5.548831     -1.442430      5.379972
  H      -8.006115     -6.496862      6.242056
  H      -9.915361     -8.081389      6.159979
  H     -11.035725     -8.582629      3.972208
  H      -8.328720     -5.926826      1.971056
  H      -1.812252     -3.587133      6.268189
  H      -1.947350     -6.106577      7.934954
  H      -1.960898     -4.397586      8.497332
  H      -3.974920     -3.226503      8.664697
  H       0.027203     -4.218712      4.268990
  H       2.494853     -4.159909      4.119896
  H       3.882264     -4.579810      6.184228
  H       0.305392     -5.101790      8.493696
  N      -2.481423     -3.033143      4.699091
  N      -1.684574     -2.094768      4.725599
  H      -0.661959     -2.296982      4.906728
  H      -1.998767     -1.093923      4.683475
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.515053711304
  N      -3.228149     -3.998231      2.662395
  C      -2.844855     -4.921568      1.601695
  C      -2.246178     -6.162544      2.224246
  N      -3.153755     -6.602253      3.313974
  C      -4.284540     -7.354264      2.697860
  C      -5.538144     -7.109184      3.510930
  N      -5.554972     -5.701791      3.874223
  Mo     -3.874741     -4.790399      4.451910
  N      -2.090334     -5.381495      5.267494
  C      -1.551117     -6.727699      5.175585
  C      -2.439698     -7.521178      4.246230
  H      -1.538501     -7.218275      6.165943
  H      -0.508610     -6.695922      4.813654
  H      -3.203196     -8.036579      4.840790
  H      -1.871724     -8.262316      3.661273
  H      -6.417249     -7.377419      2.911221
  H      -5.557138     -7.742342      4.421289
  H      -4.450140     -6.974337      1.682685
  H      -4.036779     -8.423923      2.639221
  H      -2.095980     -4.466458      0.943778
  H      -3.728039     -5.188780      0.987654
  H      -1.257136     -5.933370      2.641292
  H      -2.140646     -6.973187      1.485334
  C      -3.029615     -2.590877      2.260589
  C      -4.097221     -2.118179      1.218212
  C      -3.909766     -0.684104      0.824809
  S      -3.654105     -0.190998     -0.735974
  C      -3.931703      0.357161      1.871268
  O      -4.009231      0.136353      3.080641
  C      -1.598935     -2.312335      1.788787
  C      -1.217262     -2.456971      0.443574
  C       0.083716     -2.177678      0.021549
  C       1.049903     -1.741182      0.928261
  C       0.657946     -1.595723      2.251191
  F       1.577897     -1.173556      3.169915
  C      -0.628801     -1.870713      2.703202
  C      -6.882872     -5.109460      4.220368
  C      -7.175702     -3.835917      3.371929
  C      -6.957405     -2.527971      4.095607
  S      -8.077343     -1.279488      3.982520
  C      -5.787163     -2.350734      4.846446
  O      -4.857584     -3.252957      4.882705
  C      -8.028837     -6.099651      4.116631
  C      -8.487260     -6.732716      5.277730
  C      -9.551655     -7.635951      5.225208
  C     -10.177069     -7.925747      4.011838
  C      -9.705952     -7.289622      2.868273
  F     -10.299575     -7.560674      1.674027
  C      -8.650158     -6.388591      2.892749
  C      -1.527087     -4.665015      6.416036
  C      -2.251317     -5.126894      7.732319
  C      -3.722798     -5.028767      7.501424
  S      -4.440831     -6.288258      6.619936
  C      -4.486069     -3.908624      8.013324
  O      -5.655668     -3.629596      7.727682
  C      -0.011943     -4.707162      6.422419
  C       0.635335     -4.415949      5.206595
  C       2.024157     -4.369925      5.121833
  C       2.806010     -4.624209      6.252711
  C       2.149861     -4.913408      7.443372
  F       2.890805     -5.156177      8.555805
  C       0.761283     -4.961989      7.556250
  H      -3.221684     -1.980501      3.137647
  H      -5.074377     -2.216653      1.715865
  H      -4.088392     -2.742834      0.317441
  H      -3.851731      1.395339      1.479162
  H      -1.950634     -2.753795     -0.304438
  H       0.346248     -2.292633     -1.030057
  H       2.070376     -1.510503      0.624143
  H      -0.840003     -1.714934      3.751905
  H      -6.844385     -4.808614      5.281824
  H      -6.538814     -3.870528      2.470988
  H      -8.219588     -3.837823      3.042117
  H      -5.602386     -1.420740      5.390270
  H      -8.008876     -6.507412      6.231641
  H      -9.902506     -8.115658      6.138942
  H     -11.012689     -8.621163      3.944498
  H      -8.330625     -5.922295      1.960590
  H      -1.798010     -3.614043      6.342908
  H      -1.953220     -6.159400      7.966372
  H      -1.946442     -4.458011      8.552851
  H      -3.922619     -3.266202      8.735562
  H       0.028645     -4.202737      4.323219
  H       2.498269     -4.123159      4.170224
  H       3.894174     -4.593174      6.222881
  H       0.319663     -5.187539      8.525929
  N      -2.477829     -2.978531      4.748676
  N      -1.678248     -2.049028      4.762182
  H      -0.657597     -2.253446      4.957058
  H      -1.983875     -1.043565      4.721853
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.539822438960
  N      -3.218787     -3.973392      2.663161
  C      -2.837921     -4.906502      1.609312
  C      -2.240300     -6.144215      2.231385
  N      -3.149479     -6.587698      3.316457
  C      -4.284356     -7.332133      2.696735
  C      -5.536189     -7.090540      3.507033
  N      -5.559739     -5.684353      3.872403
  Mo     -3.874013     -4.771531      4.466809
  N      -2.083583     -5.385353      5.296964
  C      -1.557576     -6.736366      5.184903
  C      -2.444229     -7.516436      4.244368
  H      -1.554258     -7.241985      6.168366
  H      -0.512133     -6.707008      4.829412
  H      -3.214875     -8.032856      4.829280
  H      -1.879963     -8.256696      3.653926
  H      -6.412728     -7.358809      2.902863
  H      -5.558326     -7.729646      4.413773
  H      -4.445685     -6.946464      1.682806
  H      -4.035650     -8.401747      2.632854
  H      -2.087988     -4.458725      0.947140
  H      -3.720472     -5.175919      0.993894
  H      -1.251754     -5.919021      2.652720
  H      -2.135523     -6.955717      1.492195
  C      -3.021484     -2.569699      2.246370
  C      -4.103595     -2.113867      1.209525
  C      -3.932001     -0.685328      0.791178
  S      -3.699586     -0.208316     -0.777131
  C      -3.947518      0.373477      1.825598
  O      -4.009086      0.169161      3.037145
  C      -1.593160     -2.298116      1.756491
  C      -1.231356     -2.458391      0.406766
  C       0.064845     -2.194648     -0.039155
  C       1.050415     -1.758725      0.847866
  C       0.678275     -1.596178      2.174202
  F       1.615311     -1.175059      3.076468
  C      -0.603481     -1.853298      2.648296
  C      -6.892903     -5.098085      4.214624
  C      -7.194967     -3.826109      3.368886
  C      -6.994247     -2.516926      4.093383
  S      -8.117384     -1.274032      3.978571
  C      -5.826072     -2.335893      4.850948
  O      -4.890496     -3.227271      4.893107
  C      -8.029615     -6.098566      4.107446
  C      -8.482225     -6.740010      5.266699
  C      -9.537243     -7.654277      5.210796
  C     -10.159072     -7.947477      3.996109
  C      -9.693859     -7.302513      2.854809
  F     -10.284967     -7.576545      1.659598
  C      -8.648100     -6.390154      2.882365
  C      -1.522166     -4.696813      6.456984
  C      -2.248656     -5.168990      7.768999
  C      -3.716021     -5.052795      7.533375
  S      -4.445262     -6.287124      6.626740
  C      -4.459038     -3.923240      8.059760
  O      -5.623917     -3.617863      7.785922
  C      -0.006529     -4.737559      6.459150
  C       0.639305     -4.416738      5.249587
  C       2.028227     -4.358474      5.167674
  C       2.811358     -4.632854      6.293751
  C       2.156277     -4.952915      7.476696
  F       2.898948     -5.216297      8.583957
  C       0.767936     -5.011898      7.587699
  H      -3.212951     -1.948137      3.117169
  H      -5.073041     -2.212526      1.722892
  H      -4.105359     -2.751270      0.317053
  H      -3.879915      1.406622      1.415656
  H      -1.980142     -2.756438     -0.326278
  H       0.309154     -2.322429     -1.094333
  H       2.068741     -1.541094      0.526057
  H      -0.795477     -1.683216      3.695544
  H      -6.857763     -4.801823      5.277277
  H      -6.554651     -3.852384      2.469497
  H      -8.237388     -3.837355      3.032954
  H      -5.647087     -1.405820      5.398639
  H      -8.005059     -6.511855      6.221266
  H      -9.883910     -8.140620      6.123401
  H     -10.987732     -8.651773      3.925876
  H      -8.332752     -5.916469      1.951760
  H      -1.791536     -3.641787      6.401453
  H      -1.960337     -6.206801      7.994319
  H      -1.936361     -4.511731      8.597066
  H      -3.877142     -3.302313      8.788099
  H       0.029781     -4.192731      4.370107
  H       2.501544     -4.086551      4.221792
  H       3.899939     -4.594319      6.265920
  H       0.324408     -5.260433      8.551681
  N      -2.472404     -2.929977      4.799208
  N      -1.666479     -2.008827      4.803715
  H      -0.648739     -2.211774      5.010976
  H      -1.961493     -0.999996      4.765916
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.557510187695
  N      -3.204269     -3.954901      2.662966
  C      -2.827977     -4.895977      1.614624
  C      -2.233026     -6.131871      2.237283
  N      -3.145759     -6.577990      3.316830
  C      -4.285061     -7.313047      2.693258
  C      -5.533986     -7.071885      3.501934
  N      -5.560636     -5.666559      3.866291
  Mo     -3.869843     -4.755435      4.476574
  N      -2.078234     -5.391682      5.319117
  C      -1.564637     -6.746668      5.189769
  C      -2.450947     -7.516033      4.241136
  H      -1.568856     -7.263994      6.167419
  H      -0.516808     -6.720625      4.839927
  H      -3.228577     -8.032210      4.817259
  H      -1.890591     -8.256777      3.647175
  H      -6.408788     -7.339891      2.894647
  H      -5.560141     -7.715424      4.405798
  H      -4.441321     -6.922216      1.680415
  H      -4.037417     -8.382896      2.624348
  H      -2.076443     -4.456821      0.947900
  H      -3.709800     -5.165123      0.997237
  H      -1.245824     -5.910947      2.664398
  H      -2.127932     -6.944306      1.498406
  C      -3.009090     -2.554262      2.237996
  C      -4.109102     -2.113091      1.211280
  C      -3.957514     -0.689209      0.773736
  S      -3.751285     -0.222745     -0.800011
  C      -3.968326      0.381870      1.800078
  O      -4.013317      0.188158      3.012533
  C      -1.586933     -2.285654      1.726185
  C      -1.247913     -2.455751      0.371296
  C       0.042440     -2.206241     -0.098412
  C       1.048053     -1.775616      0.769149
  C       0.698368     -1.600160      2.099758
  F       1.652959     -1.183076      2.985139
  C      -0.577775     -1.840305      2.595096
  C      -6.897399     -5.084715      4.204606
  C      -7.207220     -3.816415      3.358913
  C      -7.021164     -2.507163      4.084846
  S      -8.145384     -1.267760      3.968407
  C      -5.855595     -2.325921      4.849699
  O      -4.916010     -3.208861      4.896220
  C      -8.027148     -6.093607      4.098621
  C      -8.472238     -6.739987      5.258207
  C      -9.519067     -7.663558      5.203388
  C     -10.140251     -7.961827      3.989615
  C      -9.682889     -7.311409      2.848163
  F     -10.274334     -7.589894      1.653998
  C      -8.645940     -6.389280      2.874539
  C      -1.521112     -4.727953      6.487860
  C      -2.249760     -5.208052      7.797306
  C      -3.712693     -5.076409      7.556565
  S      -4.454505     -6.285082      6.626470
  C      -4.437953     -3.937649      8.091544
  O      -5.598625     -3.611703      7.826885
  C      -0.004585     -4.764230      6.489972
  C       0.642642     -4.416081      5.288763
  C       2.031405     -4.342901      5.214693
  C       2.812690     -4.631995      6.338660
  C       2.155995     -4.981003      7.512115
  F       2.897198     -5.260383      8.616948
  C       0.767957     -5.053090      7.616318
  H      -3.196944     -1.925673      3.106228
  H      -5.068882     -2.215171      1.742051
  H      -4.122377     -2.760541      0.325858
  H      -3.915732      1.411251      1.377125
  H      -2.012275     -2.751964     -0.346687
  H       0.267073     -2.342535     -1.157153
  H       2.063164     -1.570554      0.429251
  H      -0.752021     -1.658599      3.642735
  H      -6.863821     -4.790765      5.267861
  H      -6.564272     -3.835925      2.460927
  H      -8.247843     -3.836216      3.016706
  H      -5.682180     -1.396676      5.402263
  H      -7.994052     -6.507982      6.211634
  H      -9.860032     -8.153731      6.116418
  H     -10.962785     -8.673642      3.919982
  H      -8.336493     -5.910862      1.944085
  H      -1.790685     -3.670169      6.445019
  H      -1.969581     -6.249717      8.016719
  H      -1.930889     -4.559715      8.630093
  H      -3.840811     -3.333273      8.822691
  H       0.032855     -4.186442      4.410763
  H       2.506704     -4.048083      4.276408
  H       3.901244     -4.583692      6.316230
  H       0.320379     -5.322886      8.573001
  N      -2.466483     -2.887135      4.847242
  N      -1.651768     -1.974413      4.847530
  H      -0.636988     -2.172952      5.065409
  H      -1.934995     -0.962996      4.812450
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.570401323879
  N      -3.185539     -3.943617      2.660322
  C      -2.815458     -4.890459      1.616033
  C      -2.224026     -6.125634      2.240616
  N      -3.142097     -6.573518      3.314194
  C      -4.285482     -7.298472      2.686378
  C      -5.530962     -7.055154      3.494763
  N      -5.557700     -5.649862      3.854887
  Mo     -3.862302     -4.742706      4.479531
  N      -2.074015     -5.399480      5.332495
  C      -1.570860     -6.757555      5.190078
  C      -2.458265     -7.519253      4.236645
  H      -1.580170     -7.282758      6.163602
  H      -0.521246     -6.735302      4.844606
  H      -3.242199     -8.033918      4.805597
  H      -1.901393     -8.261843      3.641447
  H      -6.405030     -7.323348      2.886104
  H      -5.561158     -7.701106      4.396957
  H      -4.436420     -6.903360      1.674377
  H      -4.040473     -8.368842      2.612897
  H      -2.062282     -4.460118      0.944505
  H      -3.696575     -5.157756      0.996429
  H      -1.239190     -5.907922      2.674801
  H      -2.116633     -6.939072      1.502669
  C      -2.994557     -2.544713      2.233520
  C      -4.115360     -2.112740      1.222706
  C      -3.983814     -0.691564      0.774830
  S      -3.805876     -0.226994     -0.801639
  C      -3.987229      0.384150      1.799866
  O      -4.013642      0.192244      3.012031
  C      -1.582556     -2.276024      1.696055
  C      -1.268961     -2.450016      0.335326
  C       0.014984     -2.213715     -0.157579
  C       1.041024     -1.793647      0.691442
  C       0.716019     -1.609867      2.027204
  F       1.688950     -1.200434      2.895459
  C      -0.554360     -1.833548      2.542966
  C      -6.896660     -5.070745      4.190085
  C      -7.212886     -3.807656      3.341965
  C      -7.038111     -2.499028      4.069872
  S      -8.161623     -1.260993      3.951881
  C      -5.875615     -2.320776      4.842410
  O      -4.933728     -3.198433      4.890839
  C      -8.021976     -6.085968      4.090549
  C      -8.457403     -6.733874      5.252995
  C      -9.497666     -7.664959      5.204171
  C     -10.121952     -7.969757      3.993685
  C      -9.674752     -7.317208      2.849423
  F     -10.270121     -7.601457      1.658535
  C      -8.645023     -6.387035      2.869897
  C      -1.523030     -4.755845      6.508435
  C      -2.255201     -5.242032      7.815918
  C      -3.714073     -5.097821      7.570188
  S      -4.468062     -6.281470      6.618061
  C      -4.424966     -3.950156      8.108266
  O      -5.582516     -3.609814      7.850054
  C      -0.005422     -4.785481      6.516141
  C       0.647041     -4.412746      5.325408
  C       2.035497     -4.323117      5.264689
  C       2.811066     -4.622134      6.390047
  C       2.149167     -4.997705      7.552129
  F       2.884975     -5.289021      8.657808
  C       0.761346     -5.084582      7.643965
  H      -3.174600     -1.913710      3.102916
  H      -5.063428     -2.220243      1.772896
  H      -4.142843     -2.766111      0.341859
  H      -3.948870      1.412308      1.371591
  H      -2.049022     -2.741028     -0.367924
  H       0.219107     -2.353973     -1.220020
  H       2.052281     -1.600932      0.333468
  H      -0.712125     -1.642932      3.592819
  H      -6.862452     -4.776375      5.253123
  H      -6.568080     -3.822119      2.445126
  H      -8.251598     -3.835010      2.993805
  H      -5.707380     -1.393491      5.401007
  H      -7.975368     -6.497188      6.203431
  H      -9.831138     -8.156248      6.119464
  H     -10.939575     -8.687698      3.928513
  H      -8.343550     -5.906541      1.937819
  H      -1.794008     -3.696480      6.473514
  H      -1.981523     -6.286419      8.031520
  H      -1.931045     -4.600097      8.651417
  H      -3.816012     -3.356218      8.838879
  H       0.040456     -4.181723      4.445744
  H       2.516035     -4.007966      4.335652
  H       3.899280     -4.562586      6.377032
  H       0.307174     -5.373776      8.591894
  N      -2.461493     -2.850607      4.890382
  N      -1.636139     -1.947536      4.891625
  H      -0.623621     -2.141403      5.118226
  H      -1.906697     -0.933512      4.859381
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.580134303608
  N      -3.163803     -3.938562      2.655439
  C      -2.800538     -4.889012      1.613867
  C      -2.212905     -6.124052      2.241514
  N      -3.137788     -6.573119      3.308779
  C      -4.284361     -7.288147      2.676226
  C      -5.526466     -7.040924      3.485295
  N      -5.551226     -5.634744      3.838484
  Mo     -3.851720     -4.732784      4.475895
  N      -2.070687     -5.407274      5.338032
  C      -1.575387     -6.767595      5.186952
  C      -2.464762     -7.524376      4.231505
  H      -1.587277     -7.297162      6.158117
  H      -0.524548     -6.749048      4.844449
  H      -3.254169     -8.036365      4.795157
  H      -1.910583     -8.269911      3.637230
  H      -6.400784     -7.310181      2.877053
  H      -5.559960     -7.687136      4.387222
  H      -4.430130     -6.889559      1.664891
  H      -4.043034     -8.359259      2.598727
  H      -2.046134     -4.466638      0.937562
  H      -3.681049     -5.153915      0.992147
  H      -1.231536     -5.907562      2.683874
  H      -2.100687     -6.938449      1.505029
  C      -2.980328     -2.539784      2.231524
  C      -4.123960     -2.111368      1.241625
  C      -4.011122     -0.690975      0.790326
  S      -3.862314     -0.222708     -0.787081
  C      -4.004355      0.384739      1.817894
  O      -4.011295      0.190058      3.029187
  C      -1.581680     -2.268793      1.666043
  C      -1.294847     -2.441849      0.299297
  C      -0.017282     -2.218156     -0.215329
  C       1.028768     -1.813457      0.616814
  C       0.729352     -1.625690      1.958163
  F       1.720979     -1.228143      2.809873
  C      -0.535495     -1.832798      2.493051
  C      -6.891221     -5.056980      4.171820
  C      -7.212413     -3.799724      3.319641
  C      -7.045516     -2.492118      4.050074
  S      -8.166685     -1.253357      3.930421
  C      -5.886513     -2.319581      4.830598
  O      -4.943878     -3.195217      4.877854
  C      -8.014138     -6.076635      4.083257
  C      -8.437789     -6.723419      5.250691
  C      -9.472950     -7.660486      5.212048
  C     -10.103854     -7.972775      4.006949
  C      -9.668983     -7.320695      2.857704
  F     -10.271599     -7.611630      1.672091
  C      -8.645063     -6.384008      2.868211
  C      -1.526964     -4.779522      6.521033
  C      -2.264656     -5.270801      7.825816
  C      -3.719988     -5.115854      7.575519
  S      -4.484867     -6.275514      6.602358
  C      -4.419293     -3.959613      8.112741
  O      -5.574812     -3.609932      7.858907
  C      -0.008511     -4.802299      6.539061
  C       0.652438     -4.407651      5.360378
  C       2.040411     -4.301701      5.317079
  C       2.806988     -4.607716      6.446622
  C       2.136919     -5.007579      7.595808
  F       2.864077     -5.308404      8.704788
  C       0.749323     -5.109357      7.671062
  H      -3.148609     -1.910297      3.105087
  H      -5.058690     -2.225271      1.812538
  H      -4.168036     -2.767262      0.363306
  H      -3.978772      1.413237      1.389113
  H      -2.090271     -2.724842     -0.389970
  H       0.166683     -2.358515     -1.281439
  H       2.036059     -1.633308      0.241670
  H      -0.677686     -1.635994      3.545975
  H      -6.854359     -4.759617      5.233823
  H      -6.566119     -3.810658      2.423863
  H      -8.249224     -3.833287      2.965985
  H      -5.722579     -1.395628      5.396546
  H      -7.949285     -6.481562      6.196540
  H      -9.797245     -8.150796      6.131162
  H     -10.917687     -8.695667      3.949559
  H      -8.353525     -5.903605      1.932928
  H      -1.799731     -3.719485      6.490765
  H      -1.996655     -6.317370      8.038330
  H      -1.936399     -4.633886      8.663239
  H      -3.801296     -3.370604      8.840006
  H       0.052274     -4.177471      4.476422
  H       2.528692     -3.968435      4.398448
  H       3.894587     -4.536669      6.446160
  H       0.286773     -5.416312      8.609262
  N      -2.459089     -2.819221      4.927929
  N      -1.621418     -1.927666      4.935405
  H      -0.610196     -2.119142      5.168545
  H      -1.878330     -0.910746      4.906135
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.587820302285
  N      -3.140430     -3.937815      2.649018
  C      -2.783461     -4.890023      1.609069
  C      -2.199550     -6.124993      2.240639
  N      -3.132314     -6.574832      3.301238
  C      -4.280776     -7.280902      2.663491
  C      -5.520087     -7.028905      3.473448
  N      -5.541929     -5.621049      3.817686
  Mo     -3.838941     -4.724246      4.466612
  N      -2.068347     -5.413032      5.337634
  C      -1.578154     -6.774953      5.181736
  C      -2.469586     -7.529249      4.226318
  H      -1.590397     -7.306045      6.152032
  H      -0.526590     -6.759512      4.840883
  H      -3.263738     -8.037533      4.786419
  H      -1.917161     -8.278513      3.634842
  H      -6.395362     -7.300365      2.867159
  H      -5.555614     -7.673301      4.376540
  H      -4.421720     -6.879500      1.652699
  H      -4.043566     -8.352861      2.582668
  H      -2.028502     -4.473979      0.928398
  H      -3.663488     -5.152760      0.985567
  H      -1.222731     -5.907339      2.692116
  H      -2.079870     -6.940236      1.506105
  C      -2.968285     -2.537900      2.230556
  C      -4.135733     -2.109511      1.265266
  C      -4.039975     -0.688639      0.815282
  S      -3.920437     -0.213336     -0.761899
  C      -4.020592      0.384129      1.847352
  O      -4.006889      0.184073      3.057276
  C      -1.584739     -2.263124      1.636490
  C      -1.324120     -2.432507      0.264274
  C      -0.052328     -2.221261     -0.269652
  C       1.012331     -1.835261      0.547782
  C       0.737710     -1.646707      1.894566
  F       1.747570     -1.264764      2.731059
  C      -0.522247     -1.836656      2.446583
  C      -6.882114     -5.043800      4.150594
  C      -7.207077     -3.792200      3.293694
  C      -7.045018     -2.485775      4.027024
  S      -8.162448     -1.244498      3.905409
  C      -5.889742     -2.320927      4.815518
  O      -4.947686     -3.197388      4.858460
  C      -8.003844     -6.066414      4.076382
  C      -8.413530     -6.710439      5.250342
  C      -9.444537     -7.652416      5.225190
  C     -10.085156     -7.972650      4.027305
  C      -9.664757     -7.322681      2.871539
  F     -10.277538     -7.620827      1.692945
  C      -8.645704     -6.380594      2.868827
  C      -1.532389     -4.798258      6.528428
  C      -2.277498     -5.294645      7.828800
  C      -3.729798     -5.129511      7.574674
  S      -4.504125     -6.266132      6.581150
  C      -4.418980     -3.965213      8.109268
  O      -5.573303     -3.609377      7.858945
  C      -0.013544     -4.815886      6.559388
  C       0.658008     -4.401637      5.393673
  C       2.045335     -4.281353      5.369824
  C       2.800801     -4.593767      6.504959
  C       2.120731     -5.015905      7.640222
  F       2.837175     -5.325829      8.753638
  C       0.733436     -5.130908      7.696700
  H      -3.121890     -1.912437      3.110230
  H      -5.055942     -2.230093      1.857503
  H      -4.197760     -2.765662      0.388234
  H      -4.006117      1.414006      1.421274
  H      -2.133846     -2.705987     -0.412103
  H       0.113149     -2.359326     -1.339083
  H       2.016004     -1.668200      0.157245
  H      -0.650063     -1.635943      3.502307
  H      -6.840968     -4.741408      5.210887
  H      -6.559379     -3.800751      2.398997
  H      -8.242117     -3.830509      2.935156
  H      -5.728721     -1.401725      5.390064
  H      -7.916223     -6.463219      6.190227
  H      -9.757943     -8.140451      6.149263
  H     -10.895955     -8.699683      3.980350
  H      -8.366012     -5.901757      1.929140
  H      -1.806692     -3.738105      6.501489
  H      -2.015228     -6.343417      8.037588
  H      -1.945969     -4.662808      8.668527
  H      -3.793556     -3.377388      8.831175
  H       0.066700     -4.172193      4.503863
  H       2.542727     -3.931666      4.462293
  H       3.887571     -4.512361      6.518736
  H       0.261748     -5.454318      8.624690
  N      -2.461512     -2.790163      4.959769
  N      -1.609854     -1.912136      4.978581
  H      -0.599570     -2.105019      5.216013
  H      -1.852018     -0.892190      4.952129
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.594147543638
  N      -3.116991     -3.939391      2.642162
  C      -2.765107     -4.892018      1.602905
  C      -2.184588     -6.126677      2.238791
  N      -3.125658     -6.576931      3.292498
  C      -4.274659     -7.275528      2.649318
  C      -5.512035     -7.018668      3.459734
  N      -5.530950     -5.608652      3.793945
  Mo     -3.825030     -4.715822      4.453376
  N      -2.066966     -5.415003      5.333418
  C      -1.579286     -6.778116      5.175561
  C      -2.472386     -7.532199      4.221677
  H      -1.589837     -7.308628      6.146073
  H      -0.527510     -6.764777      4.834962
  H      -3.270637     -8.035914      4.779828
  H      -1.920869     -8.285701      3.634485
  H      -6.388700     -7.293432      2.856583
  H      -5.548035     -7.659535      4.365223
  H      -4.411241     -6.871744      1.639009
  H      -4.041472     -8.348320      2.565862
  H      -2.010348     -4.480353      0.918578
  H      -3.644872     -5.153095      0.978173
  H      -1.213180     -5.905634      2.699923
  H      -2.055276     -6.942598      1.506607
  C      -2.959454     -2.537567      2.229566
  C      -4.149984     -2.107677      1.290461
  C      -4.069132     -0.685773      0.844281
  S      -3.977208     -0.202322     -0.731991
  C      -4.036279      0.382783      1.881204
  O      -4.002378      0.176553      3.089425
  C      -1.591296     -2.258422      1.607912
  C      -1.355126     -2.422962      0.231168
  C      -0.088188     -2.224587     -0.319324
  C       0.993268     -1.859583      0.485646
  C       0.741629     -1.672450      1.837395
  F       1.768768     -1.308906      2.660184
  C      -0.514293     -1.844281      2.404307
  C      -6.870856     -5.031808      4.128070
  C      -7.198922     -3.784888      3.267084
  C      -7.039174     -2.479783      4.003688
  S      -8.151876     -1.234698      3.880175
  C      -5.887328     -2.323778      4.799332
  O      -4.946843     -3.203232      4.834752
  C      -7.991845     -6.056403      4.069682
  C      -8.385824     -6.697603      5.250628
  C      -9.413060     -7.643869      5.240511
  C     -10.065569     -7.971406      4.050984
  C      -9.661326     -7.323645      2.888292
  F     -10.286318     -7.628485      1.717820
  C      -8.646677     -6.376855      2.870804
  C      -1.538764     -4.811126      6.532837
  C      -2.292439     -5.313442      7.826898
  C      -3.742304     -5.138175      7.570197
  S      -4.524825     -6.252732      6.557190
  C      -4.421736     -3.966629      8.102351
  O      -5.575443     -3.606110      7.855841
  C      -0.019970     -4.826384      6.577367
  C       0.663290     -4.394826      5.424945
  C       2.049960     -4.264095      5.420680
  C       2.793326     -4.584129      6.561536
  C       2.102347     -5.026190      7.682490
  F       2.807085     -5.346341      8.800372
  C       0.715354     -5.150960      7.719840
  H      -3.096512     -1.917269      3.116090
  H      -5.055493     -2.234344      1.903187
  H      -4.229649     -2.763025      0.414282
  H      -4.031658      1.414515      1.459434
  H      -2.177873     -2.686037     -0.433533
  H       0.061030     -2.359018     -1.391606
  H       1.993883     -1.706295      0.081814
  H      -0.629369     -1.641511      3.462155
  H      -6.824338     -4.723514      5.186302
  H      -6.549920     -3.791511      2.373437
  H      -8.232474     -3.826530      2.904547
  H      -5.727291     -1.410682      5.383487
  H      -7.878106     -6.445558      6.183674
  H      -9.714198     -8.129579      6.169862
  H     -10.873678     -8.702088      4.015743
  H      -8.380309     -5.899857      1.926319
  H      -1.814133     -3.751169      6.509270
  H      -2.036246     -6.364680      8.030525
  H      -1.958176     -4.687721      8.669977
  H      -3.789407     -3.378106      8.817614
  H       0.082346     -4.164197      4.528829
  H       2.556955     -3.899810      4.524405
  H       3.879194     -4.494985      6.589799
  H       0.234475     -5.489502      8.637586
  N      -2.470697     -2.760803      4.986795
  N      -1.602995     -1.898722      5.021774
  H      -0.594225     -2.098169      5.261400
  H      -1.828876     -0.875655      4.998231
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.599481612834
  N      -3.094912     -3.941466      2.635446
  C      -2.746585     -4.893912      1.596148
  C      -2.169062     -6.127996      2.236407
  N      -3.118254     -6.578367      3.283261
  C      -4.266683     -7.271287      2.634860
  C      -5.502950     -7.010105      3.445200
  N      -5.519671     -5.597725      3.769021
  Mo     -3.810998     -4.706745      4.437691
  N      -2.066342     -5.412232      5.326970
  C      -1.578985     -6.776297      5.168999
  C      -2.473311     -7.532333      4.217961
  H      -1.585876     -7.304758      6.140441
  H      -0.527579     -6.763842      4.827031
  H      -3.275054     -8.030677      4.775720
  H      -1.922123     -8.290490      3.636238
  H      -6.381278     -7.289274      2.846221
  H      -5.537531     -7.646102      4.354098
  H      -4.399590     -6.865379      1.625038
  H      -4.036987     -8.344799      2.549384
  H      -1.992552     -4.484948      0.909038
  H      -3.626412     -5.153778      0.970883
  H      -1.203616     -5.901812      2.707282
  H      -2.028637     -6.944404      1.506869
  C      -2.954087     -2.537225      2.227324
  C      -4.164678     -2.105481      1.313065
  C      -4.095481     -0.682573      0.871033
  S      -4.026563     -0.191942     -0.704129
  C      -4.050707      0.382044      1.911888
  O      -3.999276      0.170406      3.118398
  C      -1.600306     -2.253518      1.580788
  C      -1.385907     -2.412207      0.200464
  C      -0.122728     -2.227372     -0.363630
  C       0.973509     -1.885467      0.431376
  C       0.742240     -1.701887      1.787536
  F       1.785237     -1.359129      2.598566
  C      -0.510579     -1.854721      2.366876
  C      -6.859215     -5.022122      4.106588
  C      -7.190806     -3.778460      3.243444
  C      -7.031318     -2.474799      3.983573
  S      -8.138980     -1.225332      3.859024
  C      -5.881676     -2.327742      4.784149
  O      -4.943266     -3.211483      4.808820
  C      -7.979361     -6.048222      4.063806
  C      -8.356442     -6.688033      5.251148
  C      -9.379982     -7.638230      5.255883
  C     -10.045749     -7.971227      4.075145
  C      -9.658796     -7.324296      2.906197
  F     -10.297286     -7.634097      1.744275
  C      -8.648358     -6.373231      2.874077
  C      -1.545617     -4.817589      6.535500
  C      -2.308138     -5.326922      7.821704
  C      -3.756274     -5.141563      7.564134
  S      -4.546197     -6.235195      6.533127
  C      -4.425506     -3.963624      8.095200
  O      -5.578963     -3.598567      7.853724
  C      -0.027199     -4.833658      6.593070
  C       0.668352     -4.387519      5.453766
  C       2.054588     -4.251753      5.467947
  C       2.785534     -4.581485      6.613946
  C       2.083109     -5.040269      7.720857
  F       2.775719     -5.372396      8.842693
  C       0.696258     -5.169983      7.739922
  H      -3.073948     -1.922262      3.120577
  H      -5.056911     -2.236315      1.943350
  H      -4.259767     -2.759999      0.437856
  H      -4.053827      1.415522      1.494460
  H      -2.220364     -2.663628     -0.454075
  H       0.012695     -2.356920     -1.438348
  H       1.971772     -1.746508      0.016621
  H      -0.614829     -1.651953      3.426403
  H      -6.806522     -4.708294      5.162768
  H      -6.541021     -3.782869      2.350480
  H      -8.223399     -3.822387      2.878413
  H      -5.720247     -1.421830      5.378397
  H      -7.837420     -6.432458      6.177003
  H      -9.667917     -8.122714      6.190048
  H     -10.851292     -8.705218      4.051542
  H      -8.396294     -5.897117      1.925222
  H      -1.821566     -3.758060      6.515840
  H      -2.058332     -6.380896      8.018585
  H      -1.971489     -4.708762      8.669378
  H      -3.785881     -3.373977      8.802969
  H       0.098595     -4.153064      4.551564
  H       2.571376     -3.875459      4.582492
  H       3.870621     -4.488442      6.655953
  H       0.206306     -5.521891      8.647737
  N      -2.487826     -2.729594      5.010106
  N      -1.601417     -1.886751      5.065951
  H      -0.595298     -2.099385      5.305512
  H      -1.808705     -0.860518      5.046412
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.604000541037
  N      -3.074687     -3.942660      2.628906
  C      -2.728591     -4.895006      1.589095
  C      -2.153783     -6.128398      2.233773
  N      -3.110432     -6.578567      3.274269
  C      -4.257611     -7.267613      2.621412
  C      -5.493409     -7.002883      3.431309
  N      -5.509047     -5.588065      3.744526
  Mo     -3.797237     -4.696468      4.420773
  N      -2.065820     -5.404532      5.319733
  C      -1.577242     -6.769418      5.162569
  C      -2.472649     -7.529312      4.215720
  H      -1.578610     -7.294925      6.135325
  H      -0.526861     -6.756669      4.817381
  H      -3.277363     -8.021333      4.774670
  H      -1.921645     -8.292694      3.640499
  H      -6.373518     -7.287567      2.837378
  H      -5.524689     -7.632844      4.344517
  H      -4.387687     -6.859758      1.612101
  H      -4.030681     -8.341696      2.534451
  H      -1.975401     -4.487670      0.900018
  H      -3.608969     -5.153846      0.964173
  H      -1.194460     -5.895976      2.713952
  H      -2.001626     -6.945167      1.507102
  C      -2.951643     -2.535975      2.223027
  C      -4.179208     -2.103590      1.331630
  C      -4.120120     -0.679879      0.892490
  S      -4.070778     -0.184118     -0.681850
  C      -4.066556      0.381978      1.935777
  O      -4.000690      0.166526      3.140819
  C      -1.610325     -2.247735      1.555391
  C      -1.414291     -2.399635      0.172297
  C      -0.153686     -2.228989     -0.402319
  C       0.955154     -1.911834      0.385377
  C       0.741055     -1.733952      1.745392
  F       1.797998     -1.413675      2.547004
  C      -0.509532     -1.867466      2.334563
  C      -6.848371     -5.014892      4.087497
  C      -7.184210     -3.773050      3.224289
  C      -7.023417     -2.470752      3.967691
  S      -8.126063     -1.216814      3.842897
  C      -5.874487     -2.331963      4.770595
  O      -4.938288     -3.220456      4.782089
  C      -7.967284     -6.042445      4.058714
  C      -8.327223     -6.683097      5.251104
  C      -9.347076     -7.636972      5.269056
  C     -10.026439     -7.972972      4.096801
  C      -9.656895     -7.324793      2.922999
  F     -10.309112     -7.637223      1.769328
  C      -8.650529     -6.369766      2.877833
  C      -1.552257     -4.817749      6.537319
  C      -2.323200     -5.334980      7.814727
  C      -3.770303     -5.139362      7.558226
  S      -4.567803     -6.213157      6.511411
  C      -4.428061     -3.955628      8.090216
  O      -5.581366     -3.585017      7.855748
  C      -0.034405     -4.837790      6.606737
  C       0.673634     -4.380226      5.479847
  C       2.059877     -4.245714      5.510493
  C       2.778520     -4.587486      6.660655
  C       2.064310     -5.059033      7.754421
  F       2.744730     -5.404945      8.879428
  C       0.677312     -5.188106      7.756904
  H      -3.054461     -1.926138      3.122622
  H      -5.059899     -2.236789      1.976730
  H      -4.287133     -2.757955      0.457858
  H      -4.077393      1.416763      1.521777
  H      -2.259012     -2.638091     -0.473884
  H      -0.029484     -2.352501     -1.479120
  H       1.951836     -1.787399     -0.037783
  H      -0.604982     -1.667014      3.395688
  H      -6.789280     -4.696564      5.141867
  H      -6.534217     -3.774857      2.331513
  H      -8.216407     -3.818468      2.858348
  H      -5.709315     -1.433788      5.374700
  H      -7.796773     -6.425677      6.169965
  H      -9.621648     -8.121914      6.207019
  H     -10.829473     -8.709984      4.083610
  H      -8.412841     -5.892957      1.925608
  H      -1.828304     -3.758849      6.522075
  H      -2.080114     -6.391895      8.003467
  H      -1.984276     -4.725937      8.668141
  H      -3.779884     -3.365643      8.789859
  H       0.115292     -4.139246      4.572130
  H       2.586603     -3.860740      4.634941
  H       3.863119     -4.495114      6.714957
  H       0.178382     -5.551129      8.655374
  N      -2.512769     -2.695813      5.030385
  N      -1.604572     -1.876558      5.111189
  H      -0.602606     -2.110050      5.347607
  H      -1.790134     -0.847242      5.097778
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.607822034712
  N      -3.056736     -3.941748      2.622737
  C      -2.712196     -4.894541      1.582241
  C      -2.139730     -6.127211      2.231228
  N      -3.102516     -6.576924      3.266498
  C      -4.248283     -7.263730      2.610614
  C      -5.483797     -6.996522      3.420337
  N      -5.499855     -5.579267      3.722860
  Mo     -3.783846     -4.684607      4.404336
  N      -2.064299     -5.392219      5.313173
  C      -1.573481     -6.757715      5.156508
  C      -2.470485     -7.522855      4.215444
  H      -1.567202     -7.280097      6.130546
  H      -0.524940     -6.743493      4.805794
  H      -3.277565     -8.007539      4.777306
  H      -1.920085     -8.292143      3.647405
  H      -6.365680     -7.287928      2.832230
  H      -5.509901     -7.619546      4.338516
  H      -4.376770     -6.853946      1.601932
  H      -4.023214     -8.338188      2.522368
  H      -1.959802     -4.488346      0.891641
  H      -3.593857     -5.152320      0.958812
  H      -1.186150     -5.888162      2.719500
  H      -1.976304     -6.944262      1.507452
  C      -2.951659     -2.533131      2.216461
  C      -4.193235     -2.103000      1.345166
  C      -4.144446     -0.679046      0.905921
  S      -4.112202     -0.181751     -0.668415
  C      -4.086688      0.382326      1.949391
  O      -4.008773      0.165712      3.153419
  C      -1.620544     -2.241034      1.531923
  C      -1.439451     -2.385296      0.146654
  C      -0.180367     -2.229315     -0.435760
  C       0.939022     -1.937933      0.346962
  C       0.738936     -1.767813      1.710367
  F       1.807755     -1.470991      2.504900
  C      -0.510021     -1.882522      2.307054
  C      -6.839433     -5.009959      4.072440
  C      -7.180314     -3.768596      3.211166
  C      -7.017413     -2.467560      3.957494
  S      -8.115534     -1.209590      3.833299
  C      -5.867684     -2.335680      4.760107
  O      -4.933365     -3.228434      4.756846
  C      -7.956682     -6.039213      4.054096
  C      -8.301345     -6.683525      5.249250
  C      -9.317676     -7.640808      5.276561
  C     -10.009007     -7.976786      4.111157
  C      -9.654924     -7.324729      2.934829
  F     -10.319116     -7.636886      1.787807
  C      -8.652342     -6.366045      2.880418
  C      -1.557404     -4.812222      6.539214
  C      -2.335532     -5.337991      7.807700
  C      -3.782178     -5.131805      7.554522
  S      -4.588485     -6.186608      6.494699
  C      -4.426741     -3.942790      8.090113
  O      -5.579806     -3.564982      7.865319
  C      -0.040115     -4.838935      6.619022
  C       0.680284     -4.373353      5.503398
  C       2.067043     -4.246335      5.548000
  C       2.773809     -4.602286      6.701143
  C       2.047696     -5.082330      7.783158
  F       2.716143     -5.443539      8.910419
  C       0.660224     -5.205161      7.771339
  H      -3.038425     -1.927473      3.121527
  H      -5.064192     -2.237099      2.002610
  H      -4.311154     -2.758686      0.473694
  H      -4.105657      1.417522      1.536732
  H      -2.293052     -2.609583     -0.492948
  H      -0.065118     -2.345775     -1.514363
  H       1.934772     -1.827765     -0.082369
  H      -0.598475     -1.686874      3.369828
  H      -6.774731     -4.688739      5.125501
  H      -6.530749     -3.767282      2.318058
  H      -8.212600     -3.815009      2.845690
  H      -5.697026     -1.445212      5.373226
  H      -7.760985     -6.426314      6.162380
  H      -9.580399     -8.128334      6.216606
  H     -10.809658     -8.716502      4.105403
  H      -8.427328     -5.886475      1.926499
  H      -1.833204     -3.754075      6.528893
  H      -2.099352     -6.397958      7.987062
  H      -1.994075     -4.739571      8.667707
  H      -3.768184     -3.354206      8.781225
  H       0.133128     -4.123717      4.590972
  H       2.603817     -3.856327      4.681095
  H       3.858282     -4.515236      6.765836
  H       0.152378     -5.576764      8.661238
  N      -2.544558     -2.659363      5.048843
  N      -1.611314     -1.869063      5.157229
  H      -0.615413     -2.131317      5.386480
  H      -1.771251     -0.836892      5.153002
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.611076601758
  N      -3.041161     -3.937732      2.616836
  C      -2.698444     -4.891847      1.575756
  C      -2.127877     -6.123845      2.228726
  N      -3.094998     -6.572776      3.260435
  C      -4.239678     -7.258646      2.603482
  C      -5.474505     -6.990246      3.414093
  N      -5.492718     -5.570564      3.705843
  Mo     -3.770924     -4.670876      4.389610
  N      -2.061145     -5.376124      5.308323
  C      -1.567472     -6.741838      5.150637
  C      -2.467275     -7.512789      4.217054
  H      -1.551244     -7.261702      6.125499
  H      -0.521691     -6.725085      4.791865
  H      -3.276109     -7.989059      4.783561
  H      -1.918465     -8.288760      3.656488
  H      -6.358087     -7.289686      2.832584
  H      -5.493569     -7.605691      4.337634
  H      -4.368286     -6.846841      1.595650
  H      -4.015506     -8.333256      2.513773
  H      -1.946837     -4.486892      0.883603
  H      -3.582276     -5.148384      0.955132
  H      -1.179069     -5.878539      2.723124
  H      -1.954794     -6.941175      1.507636
  C      -2.953186     -2.527897      2.207625
  C      -4.206000     -2.103420      1.352955
  C      -4.168671     -0.680115      0.909437
  S      -4.151328     -0.186186     -0.666130
  C      -4.112204      0.383930      1.950173
  O      -4.026676      0.169796      3.153981
  C      -1.629978     -2.233400      1.510082
  C      -1.460894     -2.368728      0.122958
  C      -0.202547     -2.227555     -0.465127
  C       0.925706     -1.962878      0.314407
  C       0.737030     -1.803005      1.680909
  F       1.815843     -1.530665      2.470521
  C      -0.510605     -1.900275      2.283282
  C      -6.833128     -5.006630      4.062375
  C      -7.180049     -3.764770      3.204618
  C      -7.014991     -2.464902      3.953437
  S      -8.109756     -1.203951      3.830980
  C      -5.863119     -2.338039      4.753421
  O      -4.929989     -3.233727      4.734825
  C      -7.948021     -6.038315      4.049956
  C      -8.280781     -6.688707      5.245396
  C      -9.293553     -7.649506      5.277154
  C      -9.993421     -7.983266      4.116072
  C      -9.651363     -7.325091      2.939681
  F     -10.323954     -7.634908      1.796803
  C      -8.652533     -6.362643      2.880900
  C      -1.560430     -4.802409      6.542044
  C      -2.344166     -5.337238      7.802010
  C      -3.790655     -5.119895      7.554342
  S      -4.607625     -6.155941      6.484270
  C      -4.420369     -3.926320      8.096866
  O      -5.572918     -3.539541      7.884629
  C      -0.043552     -4.837787      6.631055
  C       0.688863     -4.367736      5.525247
  C       2.076517     -4.253462      5.581124
  C       2.771968     -4.624878      6.736167
  C       2.034063     -5.109203      7.808157
  F       2.690922     -5.486439      8.936855
  C       0.645863     -5.221014      7.784507
  H      -3.025536     -1.924804      3.116852
  H      -5.069039     -2.237239      2.020444
  H      -4.331127     -2.762295      0.484855
  H      -4.141780      1.418237      1.535873
  H      -2.322148     -2.577449     -0.511710
  H      -0.094554     -2.335691     -1.545360
  H       1.920945     -1.866279     -0.119388
  H      -0.593386     -1.712522      3.347995
  H      -6.764312     -4.684319      5.114767
  H      -6.531779     -3.759830      2.310563
  H      -8.212860     -3.812104      2.840899
  H      -5.686291     -1.454662      5.374297
  H      -7.733534     -6.433106      6.154863
  H      -9.547146     -8.141439      6.217436
  H     -10.791564     -8.725718      4.113936
  H      -8.437143     -5.878614      1.927027
  H      -1.835795     -3.745092      6.537404
  H      -2.114984     -6.400321      7.970750
  H      -1.999647     -4.750893      8.669199
  H      -3.749668     -3.341698      8.779718
  H       0.152388     -4.108529      4.608914
  H       2.623307     -3.862100      4.721343
  H       3.856620     -4.547187      6.809229
  H       0.129181     -5.598495      8.666765
  N      -2.581085     -2.621420      5.066420
  N      -1.619308     -1.866792      5.203228
  H      -0.632089     -2.165770      5.420551
  H      -1.748630     -0.832149      5.212512
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.613881915564
  N      -3.027745     -3.930328      2.611020
  C      -2.687689     -4.886746      1.569715
  C      -2.118254     -6.117889      2.226424
  N      -3.087782     -6.565627      3.256454
  C      -4.231791     -7.251766      2.600440
  C      -5.465202     -6.983720      3.413344
  N      -5.487652     -5.561563      3.694100
  Mo     -3.758566     -4.655221      4.377242
  N      -2.056385     -5.357101      5.306138
  C      -1.559261     -6.722393      5.145252
  C      -2.463172     -7.499044      4.220627
  H      -1.530942     -7.240869      6.120191
  H      -0.517109     -6.702155      4.776200
  H      -3.273287     -7.965838      4.793218
  H      -1.917131     -8.282467      3.667659
  H      -6.350183     -7.292753      2.839073
  H      -5.475464     -7.591135      4.342408
  H      -4.362436     -6.837886      1.593707
  H      -4.007370     -8.326258      2.508916
  H      -1.937042     -4.483413      0.875559
  H      -3.574448     -5.142144      0.953151
  H      -1.172906     -5.866949      2.724577
  H      -1.937696     -6.935661      1.507768
  C      -2.955333     -2.520077      2.196919
  C      -4.217667     -2.104104      1.356451
  C      -4.193635     -0.682242      0.905381
  S      -4.191621     -0.195463     -0.672328
  C      -4.142067      0.386603      1.941371
  O      -4.048157      0.177367      3.145175
  C      -1.638227     -2.225121      1.488900
  C      -1.479378     -2.349466      0.099970
  C      -0.221439     -2.222789     -0.492634
  C       0.914675     -1.986029      0.284561
  C       0.735950     -1.839507      1.654099
  F       1.823438     -1.593189      2.440325
  C      -0.510276     -1.921356      2.261158
  C      -6.829490     -5.004200      4.056492
  C      -7.183158     -3.761631      3.202573
  C      -7.016957     -2.462625      3.953068
  S      -8.110023     -1.200243      3.832784
  C      -5.862457     -2.338506      4.749408
  O      -4.929543     -3.235130      4.716395
  C      -7.941265     -6.039191      4.045747
  C      -8.266202     -6.696684      5.239582
  C      -9.275196     -7.661362      5.271324
  C      -9.979229     -7.992326      4.111871
  C      -9.645105     -7.327108      2.937233
  F     -10.321662     -7.634077      1.795836
  C      -8.650206     -6.360553      2.878526
  C      -1.561752     -4.789880      6.546932
  C      -2.349623     -5.334382      7.798908
  C      -3.795928     -5.104979      7.558408
  S      -4.625367     -6.121740      6.480189
  C      -4.409623     -3.907862      8.111353
  O      -5.561110     -3.510505      7.913791
  C      -0.045072     -4.834917      6.644129
  C       0.698447     -4.363816      5.546293
  C       2.087162     -4.265779      5.610436
  C       2.772305     -4.652615      6.766430
  C       2.023355     -5.137386      7.830526
  F       2.669529     -5.530268      8.959902
  C       0.634317     -5.234954      7.797842
  H      -3.014624     -1.917885      3.109007
  H      -5.073731     -2.237210      2.032866
  H      -4.348468     -2.767510      0.492574
  H      -4.181179      1.419046      1.523137
  H      -2.347407     -2.540916     -0.530971
  H      -0.119918     -2.320854     -1.574459
  H       1.909448     -1.901935     -0.152890
  H      -0.588071     -1.745277      3.328338
  H      -6.758601     -4.682027      5.108766
  H      -6.536709     -3.752960      2.307211
  H      -8.216715     -3.810383      2.841344
  H      -5.680268     -1.460954      5.376460
  H      -7.715811     -6.442958      6.147662
  H      -9.522878     -8.158502      6.210461
  H     -10.774545     -8.737804      4.109861
  H      -8.440818     -5.871445      1.925942
  H      -1.836790     -3.733524      6.549280
  H      -2.127487     -6.400616      7.955721
  H      -2.001470     -4.761429      8.673661
  H      -3.725663     -3.330108      8.787036
  H       0.171605     -4.095625      4.626774
  H       2.643378     -3.876528      4.755906
  H       3.857323     -4.587129      6.845648
  H       0.109330     -5.615656      8.673708
  N      -2.619889     -2.583918      5.083017
  N      -1.626020     -1.873066      5.247279
  H      -0.651047     -2.216468      5.447481
  H      -1.718653     -0.836688      5.275362
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.616308111800
  N      -3.016398     -3.919199      2.604397
  C      -2.679883     -4.878962      1.563530
  C      -2.110603     -6.108793      2.223972
  N      -3.080810     -6.554772      3.254083
  C      -4.224514     -7.242383      2.600791
  C      -5.455539     -6.976573      3.417685
  N      -5.484579     -5.551881      3.687022
  Mo     -3.747122     -4.637262      4.366694
  N      -2.050600     -5.335647      5.306468
  C      -1.549436     -6.699707      5.139899
  C      -2.458645     -7.481385      4.225477
  H      -1.507164     -7.218195      6.114014
  H      -0.511696     -6.675206      4.758788
  H      -3.269844     -7.937555      4.805177
  H      -1.916669     -8.273035      3.680172
  H      -6.341567     -7.297025      2.851430
  H      -5.455038     -7.575565      4.352295
  H      -4.359273     -6.826404      1.595449
  H      -3.998490     -8.316434      2.506957
  H      -1.930456     -4.477779      0.866731
  H      -3.570000     -5.133705      0.951966
  H      -1.167364     -5.852833      2.723544
  H      -1.924826     -6.927363      1.507612
  C      -2.956992     -2.509441      2.183898
  C      -4.227287     -2.103085      1.355754
  C      -4.217192     -0.683103      0.895658
  S      -4.230805     -0.205391     -0.684483
  C      -4.170556      0.391257      1.926173
  O      -4.074299      0.187586      3.130466
  C      -1.644225     -2.216336      1.467378
  C      -1.494029     -2.326880      0.076654
  C      -0.236172     -2.213860     -0.519346
  C       0.906899     -2.006463      0.256192
  C       0.736831     -1.876693      1.628714
  F       1.831711     -1.658715      2.413136
  C      -0.507998     -1.945586      2.239374
  C      -6.828332     -5.002295      4.053718
  C      -7.190144     -3.759830      3.202774
  C      -7.024860     -2.461010      3.953535
  S      -8.118486     -1.199331      3.835113
  C      -5.867652     -2.336646      4.745891
  O      -4.933615     -3.231603      4.700648
  C      -7.935900     -6.041801      4.042197
  C      -8.255859     -6.706025      5.233670
  C      -9.260534     -7.675221      5.263003
  C      -9.965244     -8.004408      4.103436
  C      -9.636158     -7.332574      2.931171
  F     -10.313266     -7.637675      1.789551
  C      -8.645695     -6.361358      2.874931
  C      -1.562071     -4.776222      6.554092
  C      -2.353242     -5.331287      7.798331
  C      -3.799089     -5.088387      7.566003
  S      -4.642610     -6.084382      6.480802
  C      -4.396059     -3.888746      8.132202
  O      -5.545614     -3.479413      7.949760
  C      -0.045282     -4.831556      6.658817
  C       0.708884     -4.363387      5.566997
  C       2.098666     -4.283920      5.637028
  C       2.774070     -4.684791      6.793741
  C       2.014581     -5.165946      7.852066
  F       2.650639     -5.573003      8.981964
  C       0.624706     -5.246928      7.812590
  H      -3.004450     -1.906537      3.097421
  H      -5.076923     -2.235221      2.040430
  H      -4.363267     -2.771481      0.496443
  H      -4.225394      1.421317      1.503693
  H      -2.367857     -2.499115     -0.551888
  H      -0.140389     -2.299730     -1.602730
  H       1.901206     -1.933618     -0.184309
  H      -0.581845     -1.785113      3.309558
  H      -6.757035     -4.680585      5.106195
  H      -6.546105     -3.747600      2.305684
  H      -8.224632     -3.811515      2.844791
  H      -5.682249     -1.462910      5.377116
  H      -7.705308     -6.453343      6.141927
  H      -9.504542     -8.177314      6.200475
  H     -10.757229     -8.753404      4.099667
  H      -8.439752     -5.867556      1.924060
  H      -1.836720     -3.720927      6.565668
  H      -2.138494     -6.400764      7.941681
  H      -2.000855     -4.773120      8.680980
  H      -3.698695     -3.320715      8.802658
  H       0.191088     -4.088353      4.644274
  H       2.663788     -3.900473      4.785757
  H       3.859510     -4.633656      6.877442
  H       0.091806     -5.627797      8.683486
  N      -2.659967     -2.548447      5.097004
  N      -1.631367     -1.889909      5.286330
  H      -0.673263     -2.284101      5.464999
  H      -1.681050     -0.853244      5.338129
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.618384080943
  N      -3.007263     -3.904255      2.597350
  C      -2.675027     -4.868204      1.557612
  C      -2.104738     -6.096197      2.221653
  N      -3.074179     -6.539848      3.253322
  C      -4.218018     -7.229753      2.604009
  C      -5.445496     -6.968404      3.426867
  N      -5.483290     -5.541304      3.684991
  Mo     -3.736726     -4.617186      4.358452
  N      -2.044235     -5.312784      5.309666
  C      -1.538495     -6.674735      5.134488
  C      -2.454187     -7.460224      4.231111
  H      -1.480641     -7.194913      6.106680
  H      -0.505892     -6.645349      4.739915
  H      -3.266453     -7.904774      4.818485
  H      -1.917731     -8.260685      3.693167
  H      -6.332310     -7.301690      2.869415
  H      -5.432281     -7.559076      4.366636
  H      -4.358944     -6.811243      1.600563
  H      -3.989060     -8.302980      2.506830
  H      -1.927279     -4.469578      0.857392
  H      -3.568650     -5.123080      0.951714
  H      -1.162306     -5.835962      2.720508
  H      -1.916021     -6.915944      1.507427
  C      -2.958305     -2.495993      2.168837
  C      -4.235025     -2.101304      1.349970
  C      -4.239799     -0.683755      0.879522
  S      -4.270107     -0.217040     -0.703346
  C      -4.201780      0.396787      1.903912
  O      -4.091184      0.199998      3.107827
  C      -1.648194     -2.206311      1.445694
  C      -1.505394     -2.299223      0.053177
  C      -0.247550     -2.197551     -0.545484
  C       0.901701     -2.020635      0.228590
  C       0.739400     -1.912072      1.604075
  F       1.840480     -1.725078      2.388015
  C      -0.503900     -1.971722      2.217595
  C      -6.829438     -5.000499      4.053705
  C      -7.200561     -3.759562      3.203949
  C      -7.039375     -2.460325      3.953759
  S      -8.135717     -1.201542      3.836001
  C      -5.879949     -2.332697      4.742852
  O      -4.943230     -3.222885      4.688342
  C      -7.931748     -6.045704      4.039859
  C      -8.249379     -6.715113      5.228961
  C      -9.249278     -7.689329      5.254661
  C      -9.951447     -8.018728      4.093672
  C      -9.624701     -7.341848      2.923650
  F     -10.299310     -7.646975      1.780559
  C      -8.639086     -6.365601      2.871096
  C      -1.562022     -4.763416      6.564299
  C      -2.355863     -5.330812      7.800726
  C      -3.800805     -5.072847      7.577269
  S      -4.659636     -6.045536      6.485098
  C      -4.381097     -3.872105      8.159410
  O      -5.527904     -3.450108      7.991443
  C      -0.044831     -4.828322      6.675808
  C       0.719121     -4.366469      5.587935
  C       2.109784     -4.306114      5.661489
  C       2.776444     -4.718498      6.818917
  C       2.007471     -5.192573      7.873748
  F       2.634472     -5.611358      9.004181
  C       0.616882     -5.256284      7.829711
  H      -2.996480     -1.890178      3.081869
  H      -5.079109     -2.233039      2.041734
  H      -4.374563     -2.775421      0.495618
  H      -4.256649      1.424286      1.475104
  H      -2.384022     -2.450449     -0.574144
  H      -0.157058     -2.268326     -1.630409
  H       1.895338     -1.956829     -0.214777
  H      -0.574523     -1.831761      3.291388
  H      -6.759551     -4.678945      5.106492
  H      -6.558838     -3.743891      2.305186
  H      -8.235853     -3.816277      2.849184
  H      -5.694738     -1.460349      5.376246
  H      -7.701408     -6.461977      6.138630
  H      -9.491697     -8.195186      6.190513
  H     -10.739712     -8.771593      4.087160
  H      -8.434331     -5.868319      1.921831
  H      -1.836304     -3.709375      6.588573
  H      -2.148844     -6.403621      7.928560
  H      -1.998701     -4.789020      8.691647
  H      -3.671248     -3.316504      8.827463
  H       0.209741     -4.087406      4.661650
  H       2.682597     -3.931634      4.811243
  H       3.862250     -4.682593      6.905513
  H       0.077014     -5.634668      8.697269
  N      -2.698906     -2.518829      5.107603
  N      -1.634135     -1.921005      5.317734
  H      -0.698166     -2.370584      5.470336
  H      -1.634814     -0.886539      5.397742
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.620130253898
  N      -2.997999     -3.885367      2.590260
  C      -2.670551     -4.854188      1.552500
  C      -2.099104     -6.080089      2.220170
  N      -3.067255     -6.520170      3.254383
  C      -4.211839     -7.212364      2.609540
  C      -5.434762     -6.956897      3.439882
  N      -5.482384     -5.527646      3.687679
  Mo     -3.726098     -4.594087      4.352658
  N      -2.037271     -5.289946      5.316588
  C      -1.527269     -6.649160      5.129968
  C      -2.450210     -7.436041      4.237345
  H      -1.453586     -7.173004      6.098991
  H      -0.500081     -6.614971      4.721794
  H      -3.264027     -7.868223      4.831987
  H      -1.920776     -8.245573      3.705997
  H      -6.322166     -7.303261      2.891522
  H      -5.407939     -7.539884      4.384061
  H      -4.360185     -6.790847      1.608460
  H      -3.979260     -8.284507      2.508055
  H      -1.924546     -4.458672      0.848406
  H      -3.567432     -5.109725      0.952210
  H      -1.156296     -5.816997      2.716755
  H      -1.909932     -6.901593      1.508066
  C      -2.956500     -2.479993      2.152067
  C      -4.238458     -2.099201      1.338696
  C      -4.261445     -0.684215      0.858150
  S      -4.302283     -0.228809     -0.727456
  C      -4.238745      0.402436      1.876502
  O      -4.156798      0.211421      3.083406
  C      -1.647339     -2.195771      1.424089
  C      -1.510646     -2.268374      0.029994
  C      -0.252760     -2.175864     -0.570765
  C       0.901919     -2.029878      0.201664
  C       0.746544     -1.946037      1.579862
  F       1.852772     -1.792879      2.364089
  C      -0.495217     -1.999514      2.195621
  C      -6.831310     -4.995854      4.055216
  C      -7.211894     -3.758297      3.203755
  C      -7.058071     -2.457711      3.950928
  S      -8.158629     -1.203642      3.831460
  C      -5.897168     -2.323859      4.738228
  O      -4.956672     -3.206515      4.678922
  C      -7.927620     -6.047657      4.038363
  C      -8.245580     -6.719546      5.225805
  C      -9.240140     -7.699363      5.247621
  C      -9.936465     -8.032139      4.084200
  C      -9.609421     -7.352854      2.915609
  F     -10.278387     -7.661102      1.770087
  C      -8.629161     -6.371161      2.866979
  C      -1.561395     -4.754551      6.579049
  C      -2.357709     -5.336288      7.807148
  C      -3.800824     -5.060249      7.592947
  S      -4.676175     -6.005040      6.492134
  C      -4.364164     -3.860222      8.194618
  O      -5.507109     -3.424131      8.040052
  C      -0.043667     -4.828583      6.695646
  C       0.728548     -4.379313      5.608073
  C       2.119909     -4.336809      5.682695
  C       2.779423     -4.754311      6.841995
  C       2.002701     -5.216058      7.896810
  F       2.622355     -5.640495      9.028918
  C       0.611589     -5.263174      7.850731
  H      -2.988663     -1.868777      3.062329
  H      -5.078234     -2.233321      2.035528
  H      -4.377990     -2.779341      0.489055
  H      -4.331922      1.425657      1.443916
  H      -2.392971     -2.397529     -0.597075
  H      -0.167118     -2.229491     -1.657067
  H       1.894706     -1.973274     -0.244544
  H      -0.563318     -1.884208      3.273247
  H      -6.764980     -4.673412      5.108119
  H      -6.571675     -3.739965      2.303892
  H      -8.247554     -3.822127      2.851336
  H      -5.716378     -1.449968      5.371502
  H      -7.702870     -6.463693      6.137849
  H      -9.482986     -8.206954      6.182407
  H     -10.720514     -8.789335      4.074680
  H      -8.423386     -5.872563      1.918670
  H      -1.834433     -3.701855      6.620428
  H      -2.159729     -6.412680      7.916734
  H      -1.994876     -4.813116      8.706860
  H      -3.643014     -3.320616      8.863965
  H       0.226549     -4.102809      4.676742
  H       2.698528     -3.975893      4.830372
  H       3.865493     -4.733062      6.929857
  H       0.066282     -5.634410      8.717848
  N      -2.732009     -2.497727      5.112767
  N      -1.631499     -1.966860      5.336845
  H      -0.722950     -2.473321      5.460494
  H      -1.578316     -0.937882      5.446749
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.621838990242
  N      -2.991403     -3.860851      2.582751
  C      -2.668649     -4.834595      1.547585
  C      -2.095277     -6.057846      2.218502
  N      -3.061424     -6.493805      3.256066
  C      -4.207021     -7.188783      2.615904
  C      -5.424310     -6.941765      3.455652
  N      -5.483736     -5.510898      3.695103
  Mo     -3.717913     -4.566862      4.348829
  N      -2.032453     -5.266608      5.326863
  C      -1.517584     -6.621991      5.125196
  C      -2.447526     -7.407637      4.241927
  H      -1.427957     -7.152158      6.089382
  H      -0.495824     -6.582163      4.704093
  H      -3.263049     -7.828365      4.842667
  H      -1.925890     -8.225291      3.715318
  H      -6.312001     -7.301419      2.916534
  H      -5.382712     -7.518572      4.402932
  H      -4.364375     -6.763743      1.617787
  H      -3.969346     -8.259350      2.508861
  H      -1.924697     -4.442150      0.839273
  H      -3.568096     -5.091817      0.952372
  H      -1.151042     -5.793154      2.711446
  H      -1.907852     -6.881508      1.508393
  C      -2.954080     -2.460224      2.133177
  C      -4.239836     -2.095230      1.321030
  C      -4.281303     -0.683364      0.830735
  S      -4.336448     -0.238515     -0.757272
  C      -4.277768      0.407445      1.844447
  O      -4.174951      0.222481      3.050507
  C      -1.644124     -2.183434      1.402543
  C      -1.511664     -2.233355      0.007308
  C      -0.253501     -2.146711     -0.594521
  C       0.905484     -2.030600      0.176326
  C       0.755623     -1.974596      1.556749
  F       1.865434     -1.856625      2.342120
  C      -0.484866     -2.025905      2.173608
  C      -6.836410     -4.990226      4.058864
  C      -7.229010     -3.759014      3.202409
  C      -7.087421     -2.455779      3.944797
  S      -8.194915     -1.209648      3.821440
  C      -5.925347     -2.310823      4.731258
  O      -4.979165     -3.181626      4.672248
  C      -7.924369     -6.051241      4.040139
  C      -8.242812     -6.722592      5.227508
  C      -9.229642     -7.710358      5.247093
  C      -9.917519     -8.051698      4.081320
  C      -9.590152     -7.372817      2.912511
  F     -10.251123     -7.689212      1.764661
  C      -8.617582     -6.383559      2.866139
  C      -1.563202     -4.750469      6.598563
  C      -2.361470     -5.350082      7.817428
  C      -3.801827     -5.053494      7.613408
  S      -4.693916     -5.964132      6.500450
  C      -4.348916     -3.857653      8.240146
  O      -5.487209     -3.406665      8.098524
  C      -0.044595     -4.832288      6.717892
  C       0.733547     -4.400652      5.627086
  C       2.125435     -4.372575      5.700249
  C       2.780309     -4.787906      6.862486
  C       1.998440     -5.233389      7.920690
  F       2.613440     -5.656654      9.055503
  C       0.607010     -5.266629      7.875179
  H      -2.984418     -1.840947      3.038460
  H      -5.076075     -2.232950      2.021734
  H      -4.377212     -2.781969      0.476307
  H      -4.352295      1.429598      1.405631
  H      -2.396207     -2.340347     -0.620728
  H      -0.171840     -2.181322     -1.681904
  H       1.897352     -1.978387     -0.272405
  H      -0.551654     -1.939138      3.254969
  H      -6.775687     -4.665313      5.111435
  H      -6.589981     -3.738170      2.301714
  H      -8.264591     -3.833935      2.851922
  H      -5.754995     -1.431546      5.361305
  H      -7.707408     -6.460280      6.142015
  H      -9.472905     -8.217464      6.182003
  H     -10.695461     -8.815110      4.069992
  H      -8.410632     -5.886073      1.917543
  H      -1.834285     -3.698809      6.662534
  H      -2.173379     -6.430148      7.905001
  H      -1.992119     -4.848351      8.726590
  H      -3.618419     -3.338409      8.915676
  H       0.237331     -4.134033      4.689485
  H       2.707091     -4.028643      4.842815
  H       3.866556     -4.779061      6.950028
  H       0.058618     -5.626841      8.744867
  N      -2.762238     -2.487596      5.110599
  N      -1.628039     -2.026498      5.338686
  H      -0.751531     -2.587735      5.432911
  H      -1.517807     -1.006722      5.477322
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.623910698014
  N      -2.983148     -3.835185      2.574075
  C      -2.664610     -4.814109      1.542560
  C      -2.090163     -6.034083      2.217198
  N      -3.055026     -6.463662      3.258470
  C      -4.202412     -7.161042      2.622458
  C      -5.413907     -6.922880      3.472380
  N      -5.484960     -5.491035      3.706128
  Mo     -3.709892     -4.537422      4.345548
  N      -2.029819     -5.246177      5.340622
  C      -1.509870     -6.597305      5.122426
  C      -2.445492     -7.378825      4.245185
  H      -1.406266     -7.135695      6.080654
  H      -0.492589     -6.551856      4.691304
  H      -3.263353     -7.790035      4.849556
  H      -1.931821     -8.203000      3.720977
  H      -6.301716     -7.293884      2.941415
  H      -5.358945     -7.495850      4.421110
  H      -4.368681     -6.732870      1.627275
  H      -3.959432     -8.229906      2.509832
  H      -1.922477     -4.425275      0.830084
  H      -3.565294     -5.074027      0.950787
  H      -1.143607     -5.769799      2.705861
  H      -1.907097     -6.861132      1.509847
  C      -2.946258     -2.440820      2.112311
  C      -4.235450     -2.090005      1.299397
  C      -4.295119     -0.679793      0.805732
  S      -4.360566     -0.237880     -0.782926
  C      -4.307573      0.409524      1.820086
  O      -4.213903      0.222447      3.026679
  C      -1.635423     -2.171669      1.379901
  C      -1.506043     -2.194971     -0.015953
  C      -0.247440     -2.108832     -0.618018
  C       0.914890     -2.020560      0.151278
  C       0.769269     -1.995928      1.533383
  F       1.880969     -1.911669      2.320807
  C      -0.470189     -2.050726      2.150174
  C      -6.842431     -4.981154      4.061390
  C      -7.247100     -3.760743      3.193509
  C      -7.122133     -2.452290      3.926651
  S      -8.237655     -1.216520      3.794488
  C      -5.959749     -2.291291      4.714715
  O      -5.007234     -3.146963      4.664135
  C      -7.921529     -6.052161      4.044708
  C      -8.241928     -6.715806      5.235645
  C      -9.220522     -7.711903      5.257713
  C      -9.898076     -8.069021      4.090804
  C      -9.569196     -7.397315      2.918172
  F     -10.220655     -7.728754      1.769229
  C      -8.604717     -6.400393      2.869314
  C      -1.567808     -4.753626      6.623473
  C      -2.368840     -5.374219      7.831627
  C      -3.805531     -5.054822      7.638441
  S      -4.712515     -5.923933      6.507589
  C      -4.337960     -3.867906      8.296530
  O      -5.470533     -3.400493      8.166143
  C      -0.047850     -4.841099      6.743505
  C       0.732829     -4.427812      5.646979
  C       2.125003     -4.408100      5.715334
  C       2.779284     -4.815173      6.880418
  C       1.996035     -5.243776      7.945020
  F       2.610693     -5.659911      9.082477
  C       0.604283     -5.268424      7.903312
  H      -2.978516     -1.812300      3.011051
  H      -5.068052     -2.235128      2.003309
  H      -4.369147     -2.781007      0.457540
  H      -4.390282      1.431734      1.382775
  H      -2.391589     -2.279994     -0.645830
  H      -0.169005     -2.121592     -1.706156
  H       1.905715     -1.968068     -0.299752
  H      -0.536500     -1.996385      3.234969
  H      -6.789954     -4.649709      5.112307
  H      -6.607561     -3.739911      2.293164
  H      -8.281587     -3.850480      2.843082
  H      -5.806797     -1.401677      5.336844
  H      -7.715261     -6.441683      6.151768
  H      -9.465134     -8.213075      6.195459
  H     -10.669525     -8.839032      4.081214
  H      -8.395817     -5.909457      1.917724
  H      -1.835822     -3.701921      6.714623
  H      -2.191664     -6.457839      7.893634
  H      -1.992387     -4.896577      8.750700
  H      -3.601280     -3.374266      8.984559
  H       0.240035     -4.175107      4.703671
  H       2.705304     -4.080933      4.849930
  H       3.865755     -4.814438      6.965739
  H       0.056421     -5.616282      8.778282
  N      -2.783238     -2.499350      5.096166
  N      -1.619150     -2.103882      5.313226
  H      -0.776361     -2.713315      5.380100
  H      -1.452136     -1.096129      5.474674
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.626663018010
  N      -2.977174     -3.807980      2.564810
  C      -2.660889     -4.790298      1.536761
  C      -2.085406     -6.006077      2.214423
  N      -3.049330     -6.428903      3.259392
  C      -4.198788     -7.129588      2.627426
  C      -5.405146     -6.900570      3.487794
  N      -5.487637     -5.468668      3.718464
  Mo     -3.705001     -4.504893      4.341916
  N      -2.029798     -5.226869      5.352630
  C      -1.505697     -6.574442      5.120556
  C      -2.443827     -7.348983      4.244332
  H      -1.393009     -7.121052      6.073103
  H      -0.490712     -6.524755      4.684769
  H      -3.264179     -7.755134      4.848879
  H      -1.936538     -8.176346      3.719042
  H      -6.292843     -7.280628      2.963234
  H      -5.339343     -7.472570      4.436243
  H      -4.373512     -6.700295      1.634382
  H      -3.949728     -8.196681      2.510794
  H      -1.920716     -4.403773      0.820701
  H      -3.560853     -5.054109      0.945761
  H      -1.136373     -5.743321      2.699149
  H      -1.907646     -6.837079      1.510291
  C      -2.935511     -2.421229      2.092751
  C      -4.226996     -2.077000      1.277245
  C      -4.295986     -0.667500      0.784122
  S      -4.367993     -0.223475     -0.804515
  C      -4.317040      0.417335      1.801804
  O      -4.236731      0.224219      3.009103
  C      -1.623904     -2.161250      1.359304
  C      -1.494314     -2.158505     -0.036141
  C      -0.233681     -2.070653     -0.635250
  C       0.929749     -2.007169      0.134743
  C       0.784783     -2.012768      1.517645
  F       1.895776     -1.959853      2.309239
  C      -0.455432     -2.072570      2.130878
  C      -6.851927     -4.971508      4.062363
  C      -7.271194     -3.766747      3.177546
  C      -7.168666     -2.450330      3.897042
  S      -8.294784     -1.229075      3.752869
  C      -6.006082     -2.266628      4.688431
  O      -5.046220     -3.103003      4.653290
  C      -7.920104     -6.054809      4.052981
  C      -8.240792     -6.704453      5.251470
  C      -9.209410     -7.710408      5.282443
  C      -9.876515     -8.091035      4.116979
  C      -9.547847     -7.432641      2.936611
  F     -10.189827     -7.786672      1.789096
  C      -8.593197     -6.426699      2.878854
  C      -1.571532     -4.759489      6.647124
  C      -2.376120     -5.399952      7.845711
  C      -3.809647     -5.060247      7.665571
  S      -4.726930     -5.885372      6.512937
  C      -4.331083     -3.886290      8.357445
  O      -5.458216     -3.403617      8.236329
  C      -0.050121     -4.853741      6.766022
  C       0.733165     -4.458904      5.663994
  C       2.125534     -4.444679      5.727797
  C       2.779871     -4.841634      6.896082
  C       1.995605     -5.254311      7.966748
  F       2.610767     -5.661558      9.107137
  C       0.603562     -5.272518      7.928614
  H      -2.971731     -1.784378      2.984805
  H      -5.056219     -2.227668      1.984272
  H      -4.359123     -2.770941      0.437517
  H      -4.405192      1.441196      1.369316
  H      -2.378941     -2.222463     -0.669806
  H      -0.155399     -2.062087     -1.723572
  H       1.920479     -1.952779     -0.316546
  H      -0.524898     -2.050607      3.218520
  H      -6.809974     -4.629947      5.110197
  H      -6.629986     -3.747084      2.278350
  H      -8.303375     -3.876472      2.825626
  H      -5.878813     -1.362175      5.297890
  H      -7.722869     -6.412608      6.167183
  H      -9.454040     -8.200648      6.226024
  H     -10.640168     -8.868963      4.113989
  H      -8.384087     -5.947298      1.921309
  H      -1.832821     -3.705854      6.764963
  H      -2.209011     -6.486340      7.882018
  H      -1.991594     -4.945481      8.773092
  H      -3.592135     -3.419583      9.061650
  H       0.244489     -4.220872      4.714831
  H       2.702802     -4.132558      4.854235
  H       3.866537     -4.846872      6.979933
  H       0.057184     -5.607937      8.809464
  N      -2.808767     -2.535633      5.071408
  N      -1.620567     -2.190500      5.262698
  H      -0.807592     -2.836186      5.312531
  H      -1.403841     -1.194856      5.435528
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.629988943057
  N      -2.970429     -3.789267      2.557148
  C      -2.654883     -4.773219      1.531787
  C      -2.079158     -5.984019      2.212791
  N      -3.043718     -6.398857      3.260664
  C      -4.195757     -7.101913      2.632106
  C      -5.398801     -6.877473      3.500604
  N      -5.488379     -5.445832      3.727534
  Mo     -3.699106     -4.473800      4.337694
  N      -2.029863     -5.210600      5.360363
  C      -1.503462     -6.557148      5.121283
  C      -2.442678     -7.324850      4.243982
  H      -1.386127     -7.108195      6.070538
  H      -0.489085     -6.506092      4.684645
  H      -3.265603     -7.727658      4.847196
  H      -1.941030     -8.154184      3.716561
  H      -6.286761     -7.263094      2.980603
  H      -5.327319     -7.449386      4.448639
  H      -4.375705     -6.673998      1.639612
  H      -3.942937     -8.168077      2.514596
  H      -1.917099     -4.387903      0.812534
  H      -3.552933     -5.041372      0.939641
  H      -1.128496     -5.722794      2.695391
  H      -1.905772     -6.819736      1.513143
  C      -2.923487     -2.408996      2.078758
  C      -4.218592     -2.063577      1.262909
  C      -4.289912     -0.652858      0.777225
  S      -4.365302     -0.198427     -0.809840
  C      -4.312981      0.423562      1.802131
  O      -4.250723      0.219638      3.010000
  C      -1.614991     -2.154072      1.340110
  C      -1.485521     -2.126455     -0.054158
  C      -0.222450     -2.033279     -0.649472
  C       0.941120     -1.989580      0.122056
  C       0.795776     -2.022991      1.505258
  F       1.905143     -1.996225      2.301165
  C      -0.445981     -2.090198      2.113372
  C      -6.861090     -4.960440      4.058231
  C      -7.293681     -3.773874      3.153160
  C      -7.215051     -2.447736      3.855976
  S      -8.350495     -1.241625      3.697858
  C      -6.052304     -2.239603      4.652849
  O      -5.086862     -3.057240      4.635673
  C      -7.918942     -6.055304      4.059389
  C      -8.239562     -6.686785      5.267828
  C      -9.198746     -7.701690      5.311990
  C      -9.856418     -8.109197      4.150040
  C      -9.528300     -7.468346      2.959802
  F     -10.161579     -7.848402      1.815663
  C      -8.582879     -6.454241      2.888824
  C      -1.570952     -4.764412      6.666178
  C      -2.381705     -5.420102      7.856243
  C      -3.812900     -5.063697      7.689806
  S      -4.734954     -5.848857      6.514690
  C      -4.326202     -3.904352      8.413372
  O      -5.449243     -3.409110      8.301082
  C      -0.048577     -4.867053      6.783983
  C       0.738525     -4.484623      5.679826
  C       2.130763     -4.473416      5.741064
  C       2.784680     -4.864776      6.911549
  C       1.998435     -5.268010      7.985032
  F       2.613496     -5.670515      9.127403
  C       0.606031     -5.281395      7.948476
  H      -2.962068     -1.767420      2.966525
  H      -5.043917     -2.219872      1.973317
  H      -4.350784     -2.757726      0.423313
  H      -4.409079      1.450643      1.379027
  H      -2.369203     -2.172660     -0.690883
  H      -0.142808     -2.004453     -1.737539
  H       1.931992     -1.930948     -0.328856
  H      -0.520969     -2.097001      3.202511
  H      -6.831203     -4.606671      5.101845
  H      -6.649189     -3.756948      2.256224
  H      -8.322308     -3.904820      2.797612
  H      -5.953862     -1.319761      5.247871
  H      -7.729369     -6.374382      6.181216
  H      -9.443099     -8.177574      6.263118
  H     -10.612729     -8.894460      4.156884
  H      -8.374309     -5.989911      1.923529
  H      -1.822287     -3.706970      6.803840
  H      -2.224121     -6.508472      7.869000
  H      -1.988932     -4.986539      8.790143
  H      -3.587623     -3.462301      9.133453
  H       0.255851     -4.254891      4.726030
  H       2.704233     -4.168803      4.861558
  H       3.871446     -4.873891      6.995734
  H       0.060985     -5.608838      8.833400
  N      -2.842944     -2.594844      5.042012
  N      -1.636889     -2.276993      5.201097
  H      -0.842793     -2.942210      5.244128
  H      -1.385292     -1.290902      5.374030
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.633355778824
  N      -2.960340     -3.787002      2.552483
  C      -2.647326     -4.770783      1.526591
  C      -2.073233     -5.979070      2.210057
  N      -3.039746     -6.383491      3.260250
  C      -4.196308     -7.083222      2.633732
  C      -5.397087     -6.856588      3.506641
  N      -5.486560     -5.424814      3.729995
  Mo     -3.686701     -4.450708      4.332323
  N      -2.026868     -5.201196      5.361616
  C      -1.499398     -6.548995      5.118723
  C      -2.443427     -7.313535      4.243692
  H      -1.375801     -7.100285      6.066540
  H      -0.486910     -6.497355      4.678353
  H      -3.267670     -7.711085      4.848382
  H      -1.948970     -8.146211      3.715047
  H      -6.286426     -7.243400      2.989939
  H      -5.324683     -7.428947      4.454552
  H      -4.377512     -6.655124      1.641718
  H      -3.945726     -8.149846      2.515241
  H      -1.912427     -4.385431      0.804506
  H      -3.544861     -5.039998      0.933866
  H      -1.121355     -5.720232      2.691819
  H      -1.904097     -6.819540      1.515191
  C      -2.910271     -2.408298      2.071750
  C      -4.210113     -2.057495      1.258879
  C      -4.282668     -0.643424      0.787598
  S      -4.359635     -0.171490     -0.795876
  C      -4.309179      0.422459      1.822041
  O      -4.264329      0.206392      3.029805
  C      -1.608667     -2.151256      1.322364
  C      -1.482993     -2.097000     -0.070471
  C      -0.218840     -1.993164     -0.663860
  C       0.945537     -1.965114      0.107938
  C       0.801789     -2.026694      1.490938
  F       1.910909     -2.022115      2.288605
  C      -0.440670     -2.106104      2.095280
  C      -6.867571     -4.947456      4.048896
  C      -7.309885     -3.777843      3.125199
  C      -7.250730     -2.443548      3.812962
  S      -8.390691     -1.248442      3.643985
  C      -6.087169     -2.217645      4.617164
  O      -5.119174     -3.022311      4.611681
  C      -7.919066     -6.049553      4.061853
  C      -8.239564     -6.663233      5.280028
  C      -9.192653     -7.683350      5.338287
  C      -9.844776     -8.113973      4.181179
  C      -9.517348     -7.490471      2.981678
  F     -10.145155     -7.892933      1.841968
  C      -8.577750     -6.471633      2.896519
  C      -1.565998     -4.768458      6.677775
  C      -2.383278     -5.436857      7.857795
  C      -3.813249     -5.068544      7.706142
  S      -4.737241     -5.818879      6.510490
  C      -4.318092     -3.924919      8.459953
  O      -5.437887     -3.418696      8.359542
  C      -0.043765     -4.875275      6.798692
  C       0.749280     -4.505325      5.694447
  C       2.140739     -4.488745      5.759288
  C       2.792031     -4.867038      6.935912
  C       2.001514     -5.261947      8.009914
  F       2.613639     -5.652347      9.158491
  C       0.608889     -5.277648      7.969109
  H      -2.946852     -1.766213      2.958798
  H      -5.032002     -2.222008      1.971013
  H      -4.340611     -2.748310      0.416251
  H      -4.410089      1.453519      1.410202
  H      -2.367701     -2.128915     -0.706855
  H      -0.138665     -1.943074     -1.751218
  H       1.935818     -1.898545     -0.343505
  H      -0.520219     -2.138748      3.182972
  H      -6.847561     -4.581404      5.087865
  H      -6.661150     -3.763877      2.231257
  H      -8.334655     -3.926177      2.765015
  H      -6.012285     -1.287597      5.202619
  H      -7.733645     -6.332841      6.189478
  H      -9.436492     -8.145048      6.296614
  H     -10.596341     -8.903744      4.198606
  H      -8.370278     -6.022396      1.923709
  H      -1.809329     -3.708031      6.824117
  H      -2.233214     -6.526282      7.848650
  H      -1.983459     -5.022787      8.797567
  H      -3.578401     -3.504419      9.191126
  H       0.275996     -4.287672      4.733905
  H       2.711319     -4.188843      4.875538
  H       3.878499     -4.872748      7.025058
  H       0.063367     -5.596171      8.857224
  N      -2.881521     -2.673743      5.016805
  N      -1.660643     -2.363714      5.147197
  H      -0.875109     -3.035349      5.182882
  H      -1.390049     -1.384976      5.316602
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.635785995428
  N      -2.947537     -3.789208      2.545553
  C      -2.640333     -4.773635      1.517070
  C      -2.071036     -5.985464      2.201374
  N      -3.038790     -6.378292      3.255130
  C      -4.202009     -7.069395      2.630808
  C      -5.398648     -6.839492      3.507298
  N      -5.487310     -5.406942      3.731268
  Mo     -3.669917     -4.436003      4.324385
  N      -2.021701     -5.200235      5.360480
  C      -1.493745     -6.547359      5.106868
  C      -2.446849     -7.310439      4.238037
  H      -1.359143     -7.101455      6.051183
  H      -0.486095     -6.491835      4.656605
  H      -3.270856     -7.701202      4.847492
  H      -1.960696     -8.147322      3.708672
  H      -6.289859     -7.226544      2.994217
  H      -5.323524     -7.413498      4.454445
  H      -4.385035     -6.636676      1.641261
  H      -3.957090     -8.136845      2.507404
  H      -1.906426     -4.388073      0.793985
  H      -3.539651     -5.038635      0.925589
  H      -1.116482     -5.731695      2.680408
  H      -1.909371     -6.829760      1.509555
  C      -2.894250     -2.408458      2.061815
  C      -4.196542     -2.063562      1.248586
  C      -4.284559     -0.646067      0.791812
  S      -4.365254     -0.158691     -0.786933
  C      -4.332535      0.410672      1.834684
  O      -4.299503      0.185738      3.040962
  C      -1.594234     -2.146147      1.309713
  C      -1.469659     -2.067942     -0.081944
  C      -0.205475     -1.947741     -0.672182
  C       0.958337     -1.925671      0.100764
  C       0.814600     -2.011636      1.482339
  F       1.923190     -2.019399      2.280865
  C      -0.427880     -2.109101      2.083691
  C      -6.872699     -4.933913      4.040371
  C      -7.321312     -3.779742      3.099287
  C      -7.276887     -2.441188      3.775685
  S      -8.420225     -1.253308      3.600825
  C      -6.114835     -2.206898      4.588645
  O      -5.143953     -3.002226      4.588244
  C      -7.921891     -6.038638      4.068946
  C      -8.242221     -6.634635      5.296128
  C      -9.193752     -7.654977      5.369550
  C      -9.845439     -8.103717      4.219117
  C      -9.518798     -7.497535      3.010816
  F     -10.145695     -7.917478      1.876889
  C      -8.580488     -6.478916      2.910492
  C      -1.563605     -4.778598      6.683157
  C      -2.381373     -5.464703      7.849635
  C      -3.810100     -5.086861      7.713924
  S      -4.741737     -5.797781      6.502296
  C      -4.304986     -3.964580      8.505407
  O      -5.421058     -3.448356      8.424193
  C      -0.042081     -4.883756      6.810139
  C       0.758235     -4.540996      5.702480
  C       2.148884     -4.511712      5.777493
  C       2.794021     -4.854358      6.968280
  C       1.997189     -5.227279      8.045110
  F       2.602362     -5.584240      9.208382
  C       0.605135     -5.252231      7.994621
  H      -2.931529     -1.763472      2.946517
  H      -5.017486     -2.244055      1.957770
  H      -4.316061     -2.749170      0.400176
  H      -4.432127      1.444809      1.430963
  H      -2.354189     -2.093571     -0.718629
  H      -0.124154     -1.879489     -1.758336
  H       1.948078     -1.846407     -0.349594
  H      -0.509523     -2.163890      3.167229
  H      -6.856879     -4.553359      5.073815
  H      -6.666953     -3.768760      2.209487
  H      -8.342575     -3.940789      2.734600
  H      -6.056791     -1.274268      5.174034
  H      -7.736626     -6.289903      6.200244
  H      -9.436883     -8.102587      6.334606
  H     -10.595858     -8.894061      4.248213
  H      -8.374243     -6.044349      1.930890
  H      -1.804733     -3.719086      6.834511
  H      -2.236386     -6.554246      7.816913
  H      -1.975939     -5.072680      8.796275
  H      -3.561102     -3.571423      9.246891
  H       0.295582     -4.352495      4.730894
  H       2.720724     -4.227912      4.889272
  H       3.879556     -4.849439      7.066686
  H       0.056262     -5.548968      8.888041
  N      -2.901410     -2.741712      4.998304
  N      -1.668614     -2.429860      5.105351
  H      -0.889005     -3.103290      5.122455
  H      -1.390746     -1.456283      5.273740
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.638184547483
  N      -2.930664     -3.816143      2.541648
  C      -2.633407     -4.799963      1.507246
  C      -2.075440     -6.022354      2.189521
  N      -3.044516     -6.402527      3.247551
  C      -4.217945     -7.075073      2.623862
  C      -5.410993     -6.835860      3.500460
  N      -5.489596     -5.402712      3.731670
  Mo     -3.647522     -4.447448      4.318365
  N      -2.014913     -5.225931      5.356103
  C      -1.489992     -6.572572      5.089917
  C      -2.457509     -7.335302      4.231375
  H      -1.340654     -7.129208      6.030245
  H      -0.490683     -6.513272      4.622828
  H      -3.280050     -7.716265      4.848987
  H      -1.981265     -8.178396      3.702954
  H      -6.306038     -7.215746      2.988659
  H      -5.338057     -7.414112      4.445977
  H      -4.398735     -6.632034      1.638397
  H      -3.986956     -8.144642      2.491411
  H      -1.896900     -4.414240      0.786745
  H      -3.536488     -5.053196      0.917180
  H      -1.116788     -5.777733      2.664789
  H      -1.925124     -6.868835      1.498169
  C      -2.875189     -2.426791      2.060111
  C      -4.177089     -2.092603      1.245894
  C      -4.286685     -0.670563      0.807428
  S      -4.368148     -0.165808     -0.764502
  C      -4.361747      0.377025      1.859534
  O      -4.341594      0.143705      3.063002
  C      -1.576806     -2.150455      1.307714
  C      -1.458538     -2.057357     -0.084178
  C      -0.199507     -1.906986     -0.676777
  C       0.965053     -1.864318      0.094329
  C       0.825814     -1.960432      1.475000
  F       1.936448     -1.945225      2.270388
  C      -0.412238     -2.090345      2.079973
  C      -6.873189     -4.920825      4.030551
  C      -7.311681     -3.772405      3.075925
  C      -7.266863     -2.433007      3.748682
  S      -8.405660     -1.240470      3.572689
  C      -6.107975     -2.207666      4.571252
  O      -5.138812     -3.007804      4.569074
  C      -7.930520     -6.017292      4.073006
  C      -8.257006     -6.596755      5.306542
  C      -9.217033     -7.607626      5.391079
  C      -9.872389     -8.064010      4.245903
  C      -9.539843     -7.474585      3.031309
  F     -10.169014     -7.902046      1.901430
  C      -8.592802     -6.465498      2.919889
  C      -1.563978     -4.800830      6.678107
  C      -2.376456     -5.505642      7.831079
  C      -3.806254     -5.126861      7.712043
  S      -4.749288     -5.801086      6.490780
  C      -4.293391     -4.032560      8.546810
  O      -5.406939     -3.510833      8.491546
  C      -0.042904     -4.887031      6.813725
  C       0.759862     -4.570247      5.700666
  C       2.148840     -4.508016      5.788312
  C       2.790079     -4.792166      6.996334
  C       1.990916     -5.140802      8.078714
  F       2.590931     -5.440570      9.260884
  C       0.600423     -5.195169      8.017004
  H      -2.912967     -1.780951      2.944623
  H      -4.999870     -2.295218      1.946823
  H      -4.279008     -2.767210      0.386598
  H      -4.457177      1.413994      1.462709
  H      -2.345165     -2.096331     -0.717045
  H      -0.121606     -1.829403     -1.762325
  H       1.951661     -1.759660     -0.357185
  H      -0.487576     -2.149969      3.158314
  H      -6.855915     -4.526370      5.058167
  H      -6.647259     -3.767947      2.193806
  H      -8.329929     -3.931448      2.702287
  H      -6.050795     -1.282949      5.169408
  H      -7.748386     -6.245412      6.206141
  H      -9.464466     -8.041928      6.360920
  H     -10.629427     -8.847333      4.283818
  H      -8.382741     -6.044393      1.935479
  H      -1.814203     -3.743642      6.819277
  H      -2.230893     -6.594135      7.778387
  H      -1.968653     -5.133595      8.784296
  H      -3.542308     -3.667687      9.295126
  H       0.302960     -4.419522      4.719989
  H       2.722098     -4.239995      4.896494
  H       3.873961     -4.758601      7.104448
  H       0.049778     -5.465827      8.917125
  N      -2.882318     -2.796533      4.996446
  N      -1.648213     -2.447746      5.089032
  H      -0.855882     -3.102634      5.082643
  H      -1.397081     -1.469382      5.253585
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.640249062885
  N      -2.918649     -3.822537      2.534491
  C      -2.630506     -4.804046      1.494234
  C      -2.082963     -6.036304      2.171838
  N      -3.049712     -6.410523      3.234609
  C      -4.230876     -7.070354      2.614415
  C      -5.418632     -6.833494      3.495792
  N      -5.498365     -5.400849      3.735917
  Mo     -3.631422     -4.452734      4.312848
  N      -2.009009     -5.244100      5.351496
  C      -1.486131     -6.585388      5.066702
  C      -2.464251     -7.344397      4.217049
  H      -1.319939     -7.149528      5.999823
  H      -0.496106     -6.519682      4.581311
  H      -3.285358     -7.718493      4.841015
  H      -1.994335     -8.191333      3.688870
  H      -6.315528     -7.214122      2.987750
  H      -5.339071     -7.414534      4.439763
  H      -4.415970     -6.616158      1.634700
  H      -4.006110     -8.139885      2.470172
  H      -1.888884     -4.417337      0.778772
  H      -3.536871     -5.044642      0.905171
  H      -1.120125     -5.798917      2.641733
  H      -1.942948     -6.882252      1.477989
  C      -2.862413     -2.430403      2.051218
  C      -4.159273     -2.109112      1.233500
  C      -4.286904     -0.685829      0.798256
  S      -4.373684     -0.181195     -0.771380
  C      -4.378201      0.361623      1.851230
  O      -4.362720      0.128933      3.052993
  C      -1.558658     -2.153314      1.307567
  C      -1.440776     -2.055398     -0.085087
  C      -0.185411     -1.888405     -0.678439
  C       0.978555     -1.831459      0.092152
  C       0.840517     -1.931779      1.471770
  F       1.952018     -1.902676      2.264344
  C      -0.394275     -2.078949      2.080525
  C      -6.877106     -4.915676      4.028606
  C      -7.308130     -3.769186      3.065193
  C      -7.263900     -2.430437      3.738727
  S      -8.403791     -1.236158      3.563367
  C      -6.109157     -2.211001      4.565295
  O      -5.139372     -3.012042      4.559557
  C      -7.939385     -6.006200      4.083517
  C      -8.266496     -6.576924      5.320484
  C      -9.232899     -7.580567      5.413089
  C      -9.894916     -8.038623      4.272785
  C      -9.561867     -7.457988      3.054193
  F     -10.196920     -7.886750      1.928187
  C      -8.608473     -6.456295      2.934931
  C      -1.568446     -4.819780      6.670558
  C      -2.371672     -5.546730      7.812566
  C      -3.804409     -5.171351      7.714455
  S      -4.764938     -5.799784      6.487416
  C      -4.285507     -4.111792      8.599769
  O      -5.399486     -3.592715      8.579453
  C      -0.046181     -4.890103      6.815308
  C       0.762471     -4.606570      5.697761
  C       2.149982     -4.516505      5.800032
  C       2.782066     -4.739343      7.024707
  C       1.977176     -5.056928      8.111356
  F       2.567081     -5.296510      9.312026
  C       0.589246     -5.136532      8.036755
  H      -2.900609     -1.781196      2.933174
  H      -4.984603     -2.324911      1.927857
  H      -4.249705     -2.776605      0.367500
  H      -4.462586      1.398742      1.451968
  H      -2.327202     -2.103995     -0.717268
  H      -0.109472     -1.808052     -1.763793
  H       1.963562     -1.712960     -0.359008
  H      -0.465020     -2.142495      3.158434
  H      -6.855751     -4.509750      5.051262
  H      -6.633934     -3.768147      2.190780
  H      -8.323645     -3.926711      2.683760
  H      -6.051573     -1.295354      5.176792
  H      -7.752815     -6.224048      6.216500
  H      -9.480573     -8.007942      6.385804
  H     -10.657109     -8.816362      4.317494
  H      -8.398525     -6.041316      1.948066
  H      -1.830361     -3.766789      6.810232
  H      -2.221850     -6.633289      7.739545
  H      -1.963508     -5.196048      8.773069
  H      -3.525754     -3.780672      9.355461
  H       0.311570     -4.498768      4.708454
  H       2.731636     -4.272175      4.907803
  H       3.863720     -4.681103      7.142811
  H       0.033401     -5.376889      8.941737
  N      -2.861816     -2.812311      5.001853
  N      -1.626748     -2.450728      5.082848
  H      -0.835404     -3.104166      5.042925
  H      -1.390094     -1.471246      5.253432
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.641815221988
  N      -2.901659     -3.847505      2.529909
  C      -2.625670     -4.824114      1.481223
  C      -2.094594     -6.067302      2.152272
  N      -3.059785     -6.433192      3.219606
  C      -4.251335     -7.076902      2.604873
  C      -5.435983     -6.836852      3.489999
  N      -5.510219     -5.406376      3.737262
  Mo     -3.611120     -4.469329      4.307487
  N      -2.003028     -5.276164      5.338955
  C      -1.488649     -6.616104      5.045956
  C      -2.477118     -7.369293      4.203094
  H      -1.310743     -7.182195      5.975643
  H      -0.506955     -6.552049      4.544055
  H      -3.298637     -7.735852      4.830955
  H      -2.013126     -8.220627      3.676333
  H      -6.336380     -7.214301      2.985034
  H      -5.355522     -7.419884      4.433792
  H      -4.437424     -6.613838      1.629197
  H      -4.037241     -8.147641      2.451849
  H      -1.876343     -4.438346      0.773272
  H      -3.535062     -5.047197      0.890412
  H      -1.127279     -5.839652      2.617646
  H      -1.967039     -6.912892      1.455958
  C      -2.845232     -2.450011      2.052467
  C      -4.138268     -2.124593      1.239297
  C      -4.264970     -0.697247      0.812458
  S      -4.361480     -0.187796     -0.753533
  C      -4.341655      0.350305      1.869002
  O      -4.326474      0.116621      3.069559
  C      -1.542985     -2.166600      1.309757
  C      -1.431960     -2.070746     -0.084342
  C      -0.183535     -1.881241     -0.683891
  C       0.981030     -1.795910      0.083686
  C       0.848448     -1.891600      1.463643
  F       1.962204     -1.827723      2.250392
  C      -0.380289     -2.061301      2.080486
  C      -6.882743     -4.912127      4.021803
  C      -7.298279     -3.764576      3.047557
  C      -7.249429     -2.423637      3.720741
  S      -8.388986     -1.225955      3.545881
  C      -6.097187     -2.210560      4.549098
  O      -5.131221     -3.019424      4.540392
  C      -7.952519     -5.993302      4.090389
  C      -8.280081     -6.552817      5.332265
  C      -9.254203     -7.547723      5.435045
  C      -9.924028     -8.008818      4.300446
  C      -9.589893     -7.440156      3.076530
  F     -10.231414     -7.872079      1.955244
  C      -8.628817     -6.447132      2.947242
  C      -1.570667     -4.841353      6.654503
  C      -2.366179     -5.585856      7.789203
  C      -3.804442     -5.222744      7.714407
  S      -4.780486     -5.805261      6.482472
  C      -4.283908     -4.205997      8.655263
  O      -5.400149     -3.695123      8.672031
  C      -0.047092     -4.886044      6.810964
  C       0.765524     -4.600390      5.697397
  C       2.149482     -4.472955      5.816366
  C       2.773150     -4.654687      7.051636
  C       1.964041     -4.968708      8.135941
  F       2.543841     -5.164702      9.349564
  C       0.580066     -5.084657      8.046088
  H      -2.875924     -1.806210      2.938662
  H      -4.965472     -2.346078      1.929641
  H      -4.229027     -2.779849      0.364055
  H      -4.414443      1.388201      1.468581
  H      -2.320934     -2.138216     -0.711320
  H      -0.112896     -1.803131     -1.769814
  H       1.962363     -1.657720     -0.369833
  H      -0.444264     -2.117609      3.160711
  H      -6.858047     -4.492978      5.038254
  H      -6.610333     -3.771512      2.184358
  H      -8.309856     -3.916305      2.653728
  H      -6.034713     -1.304906      5.174267
  H      -7.760370     -6.196983      6.223703
  H      -9.502464     -7.965856      6.411672
  H     -10.692449     -8.779890      4.353775
  H      -8.418636     -6.040879      1.956796
  H      -1.846960     -3.790312      6.781716
  H      -2.207321     -6.669961      7.699362
  H      -1.961796     -5.254141      8.757070
  H      -3.513370     -3.902549      9.412053
  H       0.317649     -4.503535      4.706092
  H       2.738854     -4.224482      4.930836
  H       3.851359     -4.563303      7.180107
  H       0.020693     -5.317522      8.950645
  N      -2.836321     -2.852078      5.005733
  N      -1.612273     -2.441439      5.071161
  H      -0.803621     -3.072472      4.999417
  H      -1.420522     -1.453397      5.241033
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.642923804672
  N      -2.890802     -3.832477      2.518375
  C      -2.623149     -4.810133      1.468633
  C      -2.097761     -6.055127      2.137380
  N      -3.057831     -6.417253      3.209697
  C      -4.253427     -7.061574      2.603153
  C      -5.433079     -6.831382      3.499197
  N      -5.519368     -5.402813      3.744862
  Mo     -3.599368     -4.454702      4.299875
  N      -1.998300     -5.272092      5.335569
  C      -1.479675     -6.604430      5.028605
  C      -2.472898     -7.354047      4.191911
  H      -1.286226     -7.176908      5.951335
  H      -0.504068     -6.532997      4.514511
  H      -3.294298     -7.716401      4.822487
  H      -2.012781     -8.207949      3.665695
  H      -6.333575     -7.220061      3.002551
  H      -5.339246     -7.410896      4.444484
  H      -4.449216     -6.595212      1.630814
  H      -4.036153     -8.130951      2.443703
  H      -1.869997     -4.428672      0.762451
  H      -3.534208     -5.026527      0.877901
  H      -1.126657     -5.831536      2.596984
  H      -1.978347     -6.901479      1.440515
  C      -2.836577     -2.439288      2.038680
  C      -4.130362     -2.113073      1.231440
  C      -4.260503     -0.684163      0.806764
  S      -4.380109     -0.175528     -0.757582
  C      -4.320603      0.361546      1.866788
  O      -4.296445      0.124364      3.066718
  C      -1.533887     -2.160937      1.296788
  C      -1.425663     -2.061851     -0.097268
  C      -0.179129     -1.872128     -0.700386
  C       0.987464     -1.790242      0.064104
  C       0.858914     -1.891357      1.444292
  F       1.976478     -1.834353      2.225277
  C      -0.368027     -2.060628      2.065699
  C      -6.891149     -4.912153      4.021537
  C      -7.306189     -3.772619      3.033448
  C      -7.268247     -2.426660      3.698248
  S      -8.420189     -1.240650      3.517885
  C      -6.118660     -2.201170      4.525607
  O      -5.149560     -3.002455      4.521563
  C      -7.957901     -5.995179      4.100123
  C      -8.282808     -6.545653      5.346546
  C      -9.254233     -7.542561      5.457878
  C      -9.923909     -8.014257      4.327543
  C      -9.592404     -7.454365      3.098647
  F     -10.234125     -7.896571      1.981492
  C      -8.633967     -6.459882      2.960903
  C      -1.573259     -4.846818      6.655880
  C      -2.368844     -5.606730      7.782630
  C      -3.807532     -5.240478      7.724666
  S      -4.797413     -5.775542      6.486844
  C      -4.284925     -4.262155      8.712453
  O      -5.403484     -3.760387      8.759367
  C      -0.048818     -4.890985      6.822988
  C       0.774872     -4.637787      5.710065
  C       2.158204     -4.509008      5.840009
  C       2.769697     -4.657243      7.085218
  C       1.949947     -4.940566      8.170142
  F       2.517292     -5.104149      9.394223
  C       0.567314     -5.056975      8.069309
  H      -2.862252     -1.796187      2.925091
  H      -4.955223     -2.337850      1.923940
  H      -4.227260     -2.762984      0.352761
  H      -4.391808      1.400308      1.467491
  H      -2.316053     -2.126825     -0.722554
  H      -0.112225     -1.791199     -1.786450
  H       1.967989     -1.652247     -0.391397
  H      -0.430340     -2.126055      3.149688
  H      -6.870559     -4.480037      5.032568
  H      -6.608689     -3.783847      2.178168
  H      -8.313658     -3.933027      2.632543
  H      -6.065685     -1.293530      5.149977
  H      -7.764115     -6.181490      6.235345
  H      -9.500674     -7.953614      6.438064
  H     -10.690456     -8.786812      4.387934
  H      -8.425438     -6.060314      1.967312
  H      -1.854280     -3.797524      6.794176
  H      -2.211696     -6.689554      7.672783
  H      -1.964975     -5.297721      8.757898
  H      -3.510316     -3.991516      9.477807
  H       0.334427     -4.566558      4.713246
  H       2.760415     -4.285904      4.956843
  H       3.846971     -4.563913      7.220684
  H      -0.000026     -5.264785      8.975111
  N      -2.840170     -2.853324      4.995442
  N      -1.613167     -2.452920      5.045837
  H      -0.817722     -3.093722      4.938686
  H      -1.416634     -1.467938      5.228482
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.643819995572
  N      -2.881414     -3.840248      2.516238
  C      -2.624441     -4.817855      1.463948
  C      -2.106543     -6.067196      2.127620
  N      -3.060220     -6.425879      3.205667
  C      -4.260122     -7.071428      2.608765
  C      -5.437182     -6.843417      3.511710
  N      -5.528074     -5.417608      3.749226
  Mo     -3.587531     -4.459227      4.298744
  N      -1.994537     -5.282800      5.326863
  C      -1.469845     -6.609870      5.017019
  C      -2.468046     -7.361271      4.187720
  H      -1.261356     -7.181039      5.937153
  H      -0.499546     -6.532751      4.492011
  H      -3.287588     -7.722043      4.821536
  H      -2.010667     -8.216760      3.661582
  H      -6.338525     -7.241102      3.023003
  H      -5.335919     -7.416278      4.461395
  H      -4.461944     -6.605945      1.637117
  H      -4.043084     -8.140857      2.447849
  H      -1.867030     -4.442478      0.759223
  H      -3.537208     -5.024076      0.871585
  H      -1.131004     -5.850650      2.581671
  H      -1.996883     -6.913537      1.429009
  C      -2.828786     -2.445235      2.046107
  C      -4.126813     -2.098925      1.254133
  C      -4.237042     -0.666983      0.832318
  S      -4.392842     -0.159143     -0.729658
  C      -4.237441      0.381332      1.891677
  O      -4.179855      0.146168      3.091945
  C      -1.534022     -2.162652      1.293335
  C      -1.440216     -2.075496     -0.102067
  C      -0.201344     -1.882686     -0.720161
  C       0.970910     -1.785514      0.033678
  C       0.856328     -1.873695      1.416454
  F       1.982997     -1.800502      2.182283
  C      -0.363711     -2.043900      2.052500
  C      -6.898604     -4.917188      4.013096
  C      -7.297906     -3.782602      3.009858
  C      -7.265284     -2.430559      3.666084
  S      -8.429341     -1.255603      3.478836
  C      -6.118541     -2.195576      4.492599
  O      -5.150404     -3.000225      4.495943
  C      -7.970234     -5.994004      4.096175
  C      -8.298864     -6.534503      5.346365
  C      -9.272778     -7.528702      5.462619
  C      -9.941026     -8.007126      4.333922
  C      -9.605680     -7.457004      3.101557
  F     -10.246048     -7.906389      1.986386
  C      -8.644450     -6.465516      2.958669
  C      -1.572170     -4.851471      6.649067
  C      -2.365441     -5.620193      7.772844
  C      -3.806789     -5.259385      7.733721
  S      -4.809662     -5.759425      6.492525
  C      -4.287767     -4.328070      8.769485
  O      -5.414019     -3.849017      8.850916
  C      -0.049377     -4.882196      6.825508
  C       0.778964     -4.632088      5.716551
  C       2.160195     -4.494842      5.855397
  C       2.764872     -4.629126      7.105727
  C       1.939762     -4.906496      8.188841
  F       2.500017     -5.055265      9.418016
  C       0.558853     -5.031586      8.078599
  H      -2.841613     -1.813050      2.939907
  H      -4.948974     -2.314541      1.952602
  H      -4.243227     -2.743082      0.373417
  H      -4.305269      1.419859      1.490882
  H      -2.337097     -2.152474     -0.716824
  H      -0.145386     -1.811096     -1.807548
  H       1.947042     -1.645589     -0.430846
  H      -0.416465     -2.098114      3.140014
  H      -6.884784     -4.471001      5.018102
  H      -6.584395     -3.803518      2.168176
  H      -8.299139     -3.944382      2.594218
  H      -6.067230     -1.285208      5.113400
  H      -7.782072     -6.164674      6.234003
  H      -9.522481     -7.931988      6.445323
  H     -10.709563     -8.777518      4.398479
  H      -8.432565     -6.073389      1.962753
  H      -1.865216     -3.804627      6.784442
  H      -2.207037     -6.701776      7.647795
  H      -1.960268     -5.328410      8.752881
  H      -3.509527     -4.081748      9.539143
  H       0.339236     -4.563382      4.719686
  H       2.771666     -4.274486      4.978235
  H       3.841027     -4.528695      7.245546
  H      -0.012810     -5.234302      8.983201
  N      -2.826325     -2.858066      4.994057
  N      -1.612704     -2.425009      5.036670
  H      -0.806238     -3.046054      4.899300
  H      -1.449104     -1.435322      5.229175
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.644449395651
  N      -2.871357     -3.839692      2.514899
  C      -2.626312     -4.820611      1.462799
  C      -2.111577     -6.073915      2.123792
  N      -3.060085     -6.426393      3.208617
  C      -4.264741     -7.072224      2.620294
  C      -5.436043     -6.844256      3.532209
  N      -5.528960     -5.419420      3.758584
  Mo     -3.572912     -4.454237      4.299027
  N      -1.990950     -5.283410      5.327526
  C      -1.459520     -6.607335      5.011478
  C      -2.465324     -7.360964      4.191235
  H      -1.236085     -7.178526      5.927963
  H      -0.495470     -6.525308      4.476506
  H      -3.283018     -7.715613      4.830993
  H      -2.015892     -8.221101      3.665974
  H      -6.339728     -7.250775      3.054513
  H      -5.323966     -7.409847      4.485784
  H      -4.473273     -6.605881      1.650525
  H      -4.048775     -8.141517      2.456583
  H      -1.869794     -4.451200      0.753377
  H      -3.542396     -5.021159      0.873734
  H      -1.130956     -5.865404      2.570657
  H      -2.012765     -6.920860      1.424306
  C      -2.820745     -2.444293      2.047238
  C      -4.126051     -2.093625      1.266776
  C      -4.235728     -0.661644      0.846077
  S      -4.428343     -0.156881     -0.713415
  C      -4.200907      0.388931      1.901570
  O      -4.108290      0.157566      3.100932
  C      -1.534267     -2.157578      1.281432
  C      -1.456780     -2.067088     -0.114205
  C      -0.225327     -1.868848     -0.745918
  C       0.953978     -1.768818     -0.004185
  C       0.856013     -1.862393      1.379856
  F       1.991198     -1.780821      2.131935
  C      -0.355839     -2.040406      2.028702
  C      -6.899429     -4.911427      4.008493
  C      -7.288048     -3.785870      2.989996
  C      -7.264986     -2.429389      3.636321
  S      -8.439852     -1.266391      3.443720
  C      -6.117884     -2.183170      4.461116
  O      -5.150495     -2.988228      4.473550
  C      -7.971767     -5.987494      4.093018
  C      -8.306073     -6.518254      5.346194
  C      -9.277528     -7.514495      5.465306
  C      -9.936810     -8.005180      4.336588
  C      -9.595091     -7.465470      3.101535
  F     -10.226291     -7.927856      1.986540
  C      -8.636111     -6.472079      2.955577
  C      -1.576435     -4.853568      6.654730
  C      -2.372413     -5.635785      7.767098
  C      -3.813037     -5.267730      7.744126
  S      -4.825042     -5.728115      6.494332
  C      -4.291671     -4.379627      8.818843
  O      -5.416690     -3.901633      8.918897
  C      -0.056186     -4.874599      6.839587
  C       0.776306     -4.622646      5.734573
  C       2.157400     -4.493383      5.876706
  C       2.757764     -4.629119      7.129226
  C       1.927639     -4.898467      8.210858
  F       2.483627     -5.046070      9.441996
  C       0.546752     -5.020148      8.095787
  H      -2.826838     -1.814395      2.942038
  H      -4.943214     -2.308248      1.970956
  H      -4.251166     -2.738937      0.388044
  H      -4.273010      1.426706      1.500269
  H      -2.360654     -2.144340     -0.718597
  H      -0.181631     -1.793063     -1.833487
  H       1.924509     -1.621917     -0.478185
  H      -0.396586     -2.103076      3.115842
  H      -6.893630     -4.454568      5.008539
  H      -6.562346     -3.813517      2.158973
  H      -8.283484     -3.952638      2.562931
  H      -6.071482     -1.265653      5.072392
  H      -7.796567     -6.139190      6.234035
  H      -9.531966     -7.909853      6.449958
  H     -10.703113     -8.777562      4.403118
  H      -8.418337     -6.089184      1.957466
  H      -1.879610     -3.809879      6.795771
  H      -2.220716     -6.715895      7.621091
  H      -1.961548     -5.365981      8.750831
  H      -3.507942     -4.150055      9.587741
  H       0.338370     -4.546773      4.737718
  H       2.774390     -4.280684      5.001432
  H       3.834108     -4.534731      7.271312
  H      -0.027855     -5.219588      8.999077
  N      -2.816679     -2.867862      4.989718
  N      -1.599899     -2.439787      5.026916
  H      -0.799607     -3.059339      4.856030
  H      -1.432940     -1.455597      5.239885
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.645047089293
  N      -2.876727     -3.836327      2.514407
  C      -2.641239     -4.817110      1.461541
  C      -2.122460     -6.072711      2.115842
  N      -3.061881     -6.426014      3.208800
  C      -4.268683     -7.079205      2.631523
  C      -5.434645     -6.851257      3.552791
  N      -5.530256     -5.427497      3.763393
  Mo     -3.569744     -4.449726      4.300076
  N      -1.991213     -5.280713      5.319998
  C      -1.448664     -6.600797      5.000972
  C      -2.456619     -7.359357      4.187827
  H      -1.212102     -7.169566      5.915563
  H      -0.489433     -6.510183      4.459831
  H      -3.268520     -7.716170      4.833679
  H      -2.011357     -8.218938      3.658388
  H      -6.340117     -7.269123      3.088167
  H      -5.310342     -7.407237      4.511489
  H      -4.485958     -6.616221      1.662130
  H      -4.049609     -8.148035      2.468718
  H      -1.890045     -4.449507      0.744689
  H      -3.560637     -5.015846      0.876949
  H      -1.136870     -5.870155      2.554246
  H      -2.032364     -6.917758      1.412980
  C      -2.817077     -2.441924      2.052652
  C      -4.125158     -2.078445      1.275903
  C      -4.223988     -0.646510      0.857018
  S      -4.446984     -0.142455     -0.699799
  C      -4.149914      0.406752      1.906243
  O      -4.021102      0.180936      3.104150
  C      -1.534873     -2.156067      1.277871
  C      -1.467015     -2.081204     -0.118711
  C      -0.241252     -1.878534     -0.760438
  C       0.940145     -1.756558     -0.026632
  C       0.853095     -1.834202      1.359473
  F       1.992816     -1.726375      2.100044
  C      -0.352516     -2.020311      2.018012
  C      -6.901560     -4.910718      4.002557
  C      -7.282548     -3.796035      2.969826
  C      -7.270189     -2.433494      3.603282
  S      -8.460238     -1.287285      3.408635
  C      -6.120737     -2.170637      4.423003
  O      -5.153985     -2.976528      4.449386
  C      -7.974222     -5.986453      4.091575
  C      -8.308247     -6.508202      5.349117
  C      -9.275758     -7.507334      5.475190
  C      -9.930724     -8.010237      4.349210
  C      -9.589061     -7.479645      3.110442
  F     -10.215574     -7.955143      1.998380
  C      -8.633934     -6.483304      2.957335
  C      -1.574501     -4.851208      6.650512
  C      -2.374201     -5.636533      7.757553
  C      -3.814148     -5.265725      7.747633
  S      -4.829755     -5.704611      6.490099
  C      -4.293000     -4.408264      8.844288
  O      -5.426693     -3.955744      8.969153
  C      -0.057313     -4.874198      6.842959
  C       0.786747     -4.633862      5.744147
  C       2.168115     -4.520996      5.895780
  C       2.757601     -4.658725      7.153606
  C       1.916320     -4.912451      8.229669
  F       2.461707     -5.058317      9.465739
  C       0.535224     -5.020665      8.104192
  H      -2.820248     -1.813886      2.947740
  H      -4.941488     -2.287348      1.981728
  H      -4.256786     -2.727171      0.400624
  H      -4.231623      1.443643      1.505480
  H      -2.374305     -2.171740     -0.716051
  H      -0.204467     -1.814283     -1.848941
  H       1.906328     -1.603386     -0.507646
  H      -0.385735     -2.071325      3.104672
  H      -6.900742     -4.444584      4.997995
  H      -6.547647     -3.830173      2.147167
  H      -8.272817     -3.969928      2.533884
  H      -6.079394     -1.241600      5.017294
  H      -7.801843     -6.120211      6.234807
  H      -9.529913     -7.895615      6.462706
  H     -10.693688     -8.785479      4.420608
  H      -8.415680     -6.108811      1.956192
  H      -1.881664     -3.808006      6.789459
  H      -2.229849     -6.716175      7.600296
  H      -1.954674     -5.377588      8.740392
  H      -3.514878     -4.204794      9.625689
  H       0.357125     -4.555613      4.744184
  H       2.794989     -4.322271      5.024723
  H       3.834023     -4.577425      7.302816
  H      -0.047686     -5.209063      9.004428
  N      -2.819871     -2.867187      4.986602
  N      -1.612866     -2.411006      5.028359
  H      -0.797774     -3.009349      4.852891
  H      -1.465626     -1.426311      5.253542
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.645495699247
  N      -2.878830     -3.831258      2.517988
  C      -2.653453     -4.813659      1.465624
  C      -2.127066     -6.069840      2.113545
  N      -3.057058     -6.426625      3.214239
  C      -4.264033     -7.088788      2.646308
  C      -5.425043     -6.860730      3.575348
  N      -5.525415     -5.436816      3.770741
  Mo     -3.565034     -4.449168      4.306295
  N      -1.990376     -5.278991      5.322905
  C      -1.432908     -6.591899      4.995681
  C      -2.440082     -7.357083      4.189164
  H      -1.181736     -7.159746      5.906902
  H      -0.479390     -6.487868      4.447731
  H      -3.244955     -7.717618      4.841741
  H      -1.997220     -8.215170      3.655633
  H      -6.330999     -7.291671      3.124416
  H      -5.286194     -7.405168      4.539369
  H      -4.490128     -6.628300      1.677729
  H      -4.039806     -8.156637      2.484296
  H      -1.911438     -4.447631      0.738148
  H      -3.578462     -5.014756      0.890666
  H      -1.136731     -5.870867      2.542513
  H      -2.044438     -6.912017      1.406411
  C      -2.814037     -2.437937      2.058030
  C      -4.125682     -2.075415      1.282948
  C      -4.230967     -0.645469      0.862799
  S      -4.476403     -0.148241     -0.693475
  C      -4.143660      0.412997      1.904410
  O      -3.982364      0.196754      3.100438
  C      -1.537075     -2.151010      1.275499
  C      -1.483233     -2.078059     -0.121813
  C      -0.265373     -1.869504     -0.776545
  C       0.921363     -1.736820     -0.054995
  C       0.849526     -1.811044      1.332318
  F       1.995707     -1.688492      2.059234
  C      -0.346869     -2.008246      2.003867
  C      -6.896197     -4.909673      3.995715
  C      -7.265638     -3.807383      2.947320
  C      -7.263594     -2.438835      3.565944
  S      -8.466327     -1.307545      3.366660
  C      -6.114123     -2.160667      4.382175
  O      -5.149341     -2.967195      4.428274
  C      -7.973410     -5.981191      4.087798
  C      -8.314542     -6.491046      5.348429
  C      -9.283374     -7.488129      5.478829
  C      -9.932864     -8.000475      4.353992
  C      -9.584963     -7.480823      3.112539
  F     -10.206008     -7.965958      2.001687
  C      -8.628333     -6.486522      2.955055
  C      -1.578463     -4.855504      6.657974
  C      -2.382685     -5.647272      7.755822
  C      -3.819307     -5.265420      7.755260
  S      -4.836046     -5.679438      6.488034
  C      -4.296152     -4.433710      8.867883
  O      -5.426135     -3.970545      8.995442
  C      -0.063127     -4.878365      6.854571
  C       0.784503     -4.637373      5.758387
  C       2.166629     -4.537010      5.910660
  C       2.753887     -4.686217      7.168315
  C       1.909597     -4.936141      8.242261
  F       2.452724     -5.088285      9.478554
  C       0.527828     -5.034570      8.115429
  H      -2.817380     -1.806182      2.950048
  H      -4.939850     -2.285834      1.990309
  H      -4.256953     -2.730187      0.412257
  H      -4.239594      1.447711      1.501841
  H      -2.395773     -2.172681     -0.710329
  H      -0.239982     -1.807839     -1.865474
  H       1.881572     -1.576148     -0.545464
  H      -0.365767     -2.059658      3.089995
  H      -6.899192     -4.434365      4.986740
  H      -6.521036     -3.849164      2.133816
  H      -8.250507     -3.987992      2.501944
  H      -6.075813     -1.217317      4.953968
  H      -7.812464     -6.096274      6.233516
  H      -9.542535     -7.867433      6.468463
  H     -10.696676     -8.774575      4.428091
  H      -8.404912     -6.121328      1.951679
  H      -1.891606     -3.815237      6.801953
  H      -2.249649     -6.726253      7.585132
  H      -1.955556     -5.402421      8.738646
  H      -3.513878     -4.229608      9.644956
  H       0.356662     -4.550515      4.758075
  H       2.795506     -4.342956      5.040303
  H       3.830902     -4.615985      7.318553
  H      -0.056638     -5.220786      9.014860
  N      -2.813152     -2.860224      4.993111
  N      -1.607083     -2.404587      5.048037
  H      -0.789258     -2.994631      4.859699
  H      -1.456848     -1.426788      5.300850
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.645920184169
  N      -2.883503     -3.832090      2.520698
  C      -2.673254     -4.813867      1.465199
  C      -2.141331     -6.073456      2.103410
  N      -3.059340     -6.433352      3.214210
  C      -4.269359     -7.100981      2.658689
  C      -5.424258     -6.867472      3.595073
  N      -5.524894     -5.443570      3.777024
  Mo     -3.559382     -4.452988      4.311660
  N      -1.989310     -5.285317      5.318941
  C      -1.421557     -6.591639      4.983255
  C      -2.428169     -7.361938      4.181915
  H      -1.157380     -7.158075      5.891562
  H      -0.474547     -6.475135      4.426865
  H      -3.224679     -7.730129      4.840589
  H      -1.985763     -8.215811      3.641513
  H      -6.332893     -7.308214      3.159519
  H      -5.271483     -7.399899      4.564617
  H      -4.504111     -6.643919      1.690469
  H      -4.043534     -8.168845      2.499417
  H      -1.942006     -4.447574      0.727035
  H      -3.606537     -5.014538      0.903181
  H      -1.144908     -5.879385      2.520213
  H      -2.070112     -6.912255      1.391092
  C      -2.804392     -2.438942      2.064346
  C      -4.114327     -2.068158      1.287803
  C      -4.217788     -0.638803      0.868415
  S      -4.470398     -0.144684     -0.687831
  C      -4.117624      0.424830      1.903431
  O      -3.933585      0.217914      3.097657
  C      -1.529434     -2.156517      1.278303
  C      -1.485186     -2.088506     -0.120185
  C      -0.275210     -1.867036     -0.784669
  C       0.913402     -1.712376     -0.071768
  C       0.851612     -1.779424      1.316256
  F       2.000048     -1.630586      2.033409
  C      -0.335901     -1.994478      1.998374
  C      -6.893697     -4.906739      3.983564
  C      -7.249611     -3.822704      2.912405
  C      -7.260524     -2.446886      3.513470
  S      -8.477082     -1.331702      3.311095
  C      -6.112667     -2.152332      4.328603
  O      -5.150242     -2.958024      4.399487
  C      -7.975608     -5.972629      4.089896
  C      -8.323890     -6.458746      5.357964
  C      -9.295269     -7.451163      5.502249
  C      -9.940441     -7.982998      4.383917
  C      -9.585288     -7.487134      3.134980
  F     -10.201222     -7.991746      2.029910
  C      -8.626005     -6.497553      2.963720
  C      -1.582211     -4.865492      6.657014
  C      -2.387395     -5.668305      7.744288
  C      -3.821932     -5.278158      7.759005
  S      -4.840545     -5.655349      6.481338
  C      -4.294491     -4.482776      8.895629
  O      -5.429492     -4.038624      9.050212
  C      -0.067792     -4.881811      6.858042
  C       0.781812     -4.619959      5.767923
  C       2.163358     -4.515539      5.924876
  C       2.748650     -4.679124      7.181560
  C       1.902751     -4.945066      8.249736
  F       2.442777     -5.108047      9.486273
  C       0.521962     -5.049529      8.118311
  H      -2.803601     -1.804587      2.954417
  H      -4.929314     -2.277182      1.994142
  H      -4.246735     -2.724519      0.418708
  H      -4.218986      1.457703      1.497583
  H      -2.400393     -2.193464     -0.702565
  H      -0.258020     -1.811074     -1.874089
  H       1.867954     -1.538503     -0.568791
  H      -0.342134     -2.039783      3.085246
  H      -6.898176     -4.414805      4.966106
  H      -6.490853     -3.873517      2.112787
  H      -8.226401     -4.012955      2.453407
  H      -6.080312     -1.196011      4.879505
  H      -7.825039     -6.049199      6.238163
  H      -9.559911     -7.811474      6.497500
  H     -10.706147     -8.754169      4.468308
  H      -8.397188     -6.151995      1.954643
  H      -1.902164     -3.828071      6.801830
  H      -2.263552     -6.745355      7.555448
  H      -1.953434     -5.442875      8.728473
  H      -3.515993     -4.317222      9.685680
  H       0.356062     -4.514833      4.768238
  H       2.792236     -4.306749      5.058293
  H       3.824980     -4.606352      7.335487
  H      -0.062642     -5.247812      9.014985
  N      -2.811076     -2.880550      4.999372
  N      -1.614456     -2.400525      5.066400
  H      -0.781750     -2.968137      4.874372
  H      -1.480554     -1.427979      5.345891
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.646406187955
  N      -2.896781     -3.829493      2.519307
  C      -2.702191     -4.809801      1.459346
  C      -2.162458     -6.070781      2.087528
  N      -3.067184     -6.436403      3.207925
  C      -4.279937     -7.110376      2.666368
  C      -5.428156     -6.869526      3.609999
  N      -5.528475     -5.445454      3.779685
  Mo     -3.562564     -4.453582      4.313795
  N      -1.988410     -5.288251      5.308023
  C      -1.414956     -6.588568      4.963524
  C      -2.419833     -7.362969      4.165817
  H      -1.141012     -7.154497      5.869131
  H      -0.473780     -6.461029      4.399090
  H      -3.207409     -7.743088      4.828777
  H      -1.973839     -8.209662      3.617058
  H      -6.340762     -7.317864      3.190693
  H      -5.261629     -7.388713      4.585227
  H      -4.523477     -6.660275      1.696926
  H      -4.052734     -8.178795      2.513780
  H      -1.983674     -4.441483      0.710312
  H      -3.645290     -5.012002      0.913590
  H      -1.161016     -5.876897      2.492577
  H      -2.100197     -6.906609      1.370807
  C      -2.797159     -2.438050      2.065776
  C      -4.099037     -2.054509      1.281534
  C      -4.195439     -0.623675      0.867358
  S      -4.431313     -0.123253     -0.689074
  C      -4.098697      0.438618      1.905258
  O      -3.917413      0.231064      3.099358
  C      -1.517485     -2.165561      1.285461
  C      -1.470843     -2.111862     -0.114545
  C      -0.265222     -1.876131     -0.780763
  C       0.918738     -1.687965     -0.068430
  C       0.854912     -1.738566      1.319865
  F       1.998415     -1.551663      2.034961
  C      -0.328186     -1.972562      2.005617
  C      -6.896152     -4.907194      3.970461
  C      -7.245073     -3.842705      2.876912
  C      -7.269937     -2.459513      3.461302
  S      -8.497794     -1.358164      3.253253
  C      -6.124307     -2.146186      4.274438
  O      -5.161905     -2.947225      4.372187
  C      -7.977651     -5.971246      4.097289
  C      -8.329587     -6.430347      5.374241
  C      -9.300643     -7.420106      5.537077
  C      -9.941695     -7.977392      4.428620
  C      -9.581726     -7.509586      3.170231
  F     -10.192434     -8.039418      2.073864
  C      -8.622789     -6.522900      2.980638
  C      -1.579397     -4.873867      6.647340
  C      -2.383324     -5.683190      7.729905
  C      -3.816267     -5.287002      7.757202
  S      -4.836784     -5.634457      6.473163
  C      -4.283109     -4.517760      8.911570
  O      -5.411916     -4.058920      9.074171
  C      -0.064301     -4.893707      6.852833
  C       0.793452     -4.624895      5.770471
  C       2.174872     -4.523895      5.940120
  C       2.751172     -4.696685      7.199314
  C       1.897279     -4.969609      8.258482
  F       2.426738     -5.143519      9.498517
  C       0.517965     -5.071865      8.115657
  H      -2.791904     -1.801849      2.955093
  H      -4.918533     -2.262269      1.982558
  H      -4.230985     -2.706169      0.409027
  H      -4.206397      1.471870      1.501381
  H      -2.382917     -2.235819     -0.697966
  H      -0.248016     -1.833444     -1.870888
  H       1.870318     -1.499230     -0.565785
  H      -0.330082     -1.997917      3.094733
  H      -6.900880     -4.397416      4.943531
  H      -6.473605     -3.899819      2.090202
  H      -8.213836     -4.045313      2.406320
  H      -6.099171     -1.178104      4.805822
  H      -7.833463     -6.001333      6.246821
  H      -9.568589     -7.758351      6.539234
  H     -10.707119     -8.747236      4.527285
  H      -8.390769     -6.200311      1.964642
  H      -1.897200     -3.836004      6.792216
  H      -2.266428     -6.758794      7.528446
  H      -1.945007     -5.472722      8.715576
  H      -3.497130     -4.359518      9.696083
  H       0.376351     -4.510834      4.768005
  H       2.809887     -4.309250      5.080145
  H       3.826441     -4.626414      7.362117
  H      -0.072358     -5.276825      9.007298
  N      -2.827411     -2.894617      5.005473
  N      -1.650905     -2.370655      5.089306
  H      -0.792644     -2.907869      4.920056
  H      -1.550628     -1.399548      5.387044
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.647089844968
  N      -2.904699     -3.828011      2.517374
  C      -2.730641     -4.810344      1.454112
  C      -2.180588     -6.069788      2.074837
  N      -3.071530     -6.441307      3.203958
  C      -4.285619     -7.122945      2.676370
  C      -5.426434     -6.871093      3.625707
  N      -5.528756     -5.444785      3.780164
  Mo     -3.567098     -4.457002      4.317319
  N      -1.983257     -5.290196      5.303998
  C      -1.403773     -6.581971      4.945429
  C      -2.407264     -7.362784      4.152872
  H      -1.118181     -7.150044      5.846034
  H      -0.469598     -6.442136      4.370815
  H      -3.185692     -7.755573      4.819839
  H      -1.954021     -8.202052      3.598344
  H      -6.342659     -7.328107      3.225053
  H      -5.244316     -7.371205      4.608682
  H      -4.537283     -6.683928      1.703760
  H      -4.057409     -8.192567      2.535466
  H      -2.028087     -4.442579      0.691064
  H      -3.687295     -5.016322      0.932937
  H      -1.175267     -5.870609      2.468204
  H      -2.124719     -6.904313      1.355836
  C      -2.790687     -2.438774      2.063239
  C      -4.084472     -2.048215      1.273928
  C      -4.181011     -0.614229      0.868771
  S      -4.382965     -0.100176     -0.686657
  C      -4.111665      0.438248      1.921058
  O      -3.946944      0.217659      3.114369
  C      -1.504623     -2.175171      1.292545
  C      -1.452654     -2.129784     -0.108829
  C      -0.250215     -1.883931     -0.775371
  C       0.930193     -1.673581     -0.062516
  C       0.861225     -1.716609      1.325122
  F       1.999713     -1.506252      2.042269
  C      -0.319173     -1.963897      2.012969
  C      -6.895531     -4.909027      3.952142
  C      -7.236094     -3.867088      2.832646
  C      -7.273360     -2.475440      3.395769
  S      -8.503862     -1.381127      3.165688
  C      -6.135685     -2.143447      4.211959
  O      -5.172874     -2.936827      4.345427
  C      -7.979934     -5.966420      4.100849
  C      -8.338407     -6.396624      5.385366
  C      -9.315700     -7.377228      5.565745
  C      -9.957207     -7.954082      4.467616
  C      -9.590464     -7.515077      3.200541
  F     -10.201212     -8.063611      2.113227
  C      -8.625156     -6.538336      2.993693
  C      -1.577835     -4.885868      6.645414
  C      -2.377072     -5.706163      7.722402
  C      -3.807243     -5.297242      7.759349
  S      -4.831870     -5.609792      6.470766
  C      -4.264760     -4.548599      8.930239
  O      -5.389676     -4.085255      9.109266
  C      -0.060076     -4.901607      6.850260
  C       0.793196     -4.604703      5.771706
  C       2.174569     -4.495451      5.944133
  C       2.753995     -4.687716      7.198356
  C       1.903567     -4.990376      8.252545
  F       2.434232     -5.187082      9.488916
  C       0.525414     -5.100444      8.108568
  H      -2.778376     -1.801720      2.953013
  H      -4.907068     -2.259826      1.970295
  H      -4.216216     -2.688710      0.393317
  H      -4.223608      1.474470      1.524905
  H      -2.360605     -2.266738     -0.695638
  H      -0.232935     -1.849508     -1.865840
  H       1.880093     -1.473804     -0.558474
  H      -0.314405     -1.973978      3.104221
  H      -6.901948     -4.377229      4.913563
  H      -6.449838     -3.932462      2.061612
  H      -8.195956     -4.083170      2.349970
  H      -6.116645     -1.161960      4.719804
  H      -7.841564     -5.952669      6.250149
  H      -9.588700     -7.692678      6.573973
  H     -10.727626     -8.716985      4.580303
  H      -8.389059     -6.237851      1.971784
  H      -1.894939     -3.849863      6.802094
  H      -2.267343     -6.779567      7.505329
  H      -1.938465     -5.515703      8.712168
  H      -3.477246     -4.427296      9.720415
  H       0.375062     -4.478019      4.770752
  H       2.806778     -4.258079      5.088156
  H       3.828722     -4.611253      7.362184
  H      -0.061752     -5.330387      8.996301
  N      -2.844520     -2.898748      5.018665
  N      -1.683720     -2.352790      5.129185
  H      -0.809862     -2.873225      4.985452
  H      -1.604537     -1.388594      5.455379
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.647874036827
  N      -2.913880     -3.828292      2.514267
  C      -2.762039     -4.810536      1.446031
  C      -2.201134     -6.069708      2.057772
  N      -3.077198     -6.447511      3.195586
  C      -4.292785     -7.136936      2.682724
  C      -5.425570     -6.874806      3.638324
  N      -5.533302     -5.445807      3.778306
  Mo     -3.575558     -4.462330      4.318900
  N      -1.976522     -5.293911      5.296423
  C      -1.391149     -6.576884      4.923924
  C      -2.394851     -7.364058      4.136195
  H      -1.093005     -7.149105      5.817976
  H      -0.463545     -6.426351      4.340179
  H      -3.164299     -7.770199      4.805806
  H      -1.932888     -8.195512      3.576644
  H      -6.344469     -7.340114      3.255415
  H      -5.229496     -7.357096      4.628049
  H      -4.552424     -6.711706      1.706093
  H      -4.064568     -8.208162      2.554712
  H      -2.074083     -4.442465      0.670533
  H      -3.731230     -5.016910      0.948598
  H      -1.192801     -5.864397      2.440207
  H      -2.150337     -6.903627      1.337534
  C      -2.786006     -2.439120      2.065233
  C      -4.068479     -2.028492      1.272250
  C      -4.136086     -0.591609      0.867246
  S      -4.292842     -0.068193     -0.688841
  C      -4.063184      0.454180      1.928609
  O      -3.911162      0.220718      3.120702
  C      -1.492769     -2.182734      1.304501
  C      -1.430208     -2.153287     -0.097393
  C      -0.227926     -1.901189     -0.760600
  C       0.946116     -1.666642     -0.042943
  C       0.866227     -1.695770      1.343861
  F       1.997485     -1.462300      2.066962
  C      -0.315187     -1.950289      2.029349
  C      -6.902482     -4.917063      3.935306
  C      -7.241021     -3.899675      2.788828
  C      -7.290653     -2.498113      3.323783
  S      -8.522511     -1.412119      3.062270
  C      -6.164464     -2.144229      4.147138
  O      -5.198866     -2.925539      4.318632
  C      -7.988756     -5.967597      4.108219
  C      -8.344195     -6.372895      5.401243
  C      -9.326486     -7.344645      5.602601
  C      -9.976772     -7.936524      4.517824
  C      -9.613368     -7.521616      3.241377
  F     -10.232702     -8.085011      2.166540
  C      -8.643040     -6.554807      3.013675
  C      -1.574193     -4.896962      6.639556
  C      -2.366329     -5.728900      7.713331
  C      -3.796986     -5.317883      7.762724
  S      -4.826365     -5.593150      6.470062
  C      -4.250809     -4.601896      8.957793
  O      -5.371537     -4.134823      9.150930
  C      -0.054733     -4.903477      6.842525
  C       0.790325     -4.577133      5.766657
  C       2.170800     -4.454587      5.939913
  C       2.756094     -4.662778      7.188430
  C       1.912102     -4.997391      8.239168
  F       2.447669     -5.212384      9.470324
  C       0.535146     -5.119845      8.095625
  H      -2.764905     -1.809011      2.959485
  H      -4.896489     -2.226446      1.965979
  H      -4.210741     -2.658730      0.385820
  H      -4.153907      1.493675      1.534905
  H      -2.332401     -2.305597     -0.689448
  H      -0.206123     -1.878460     -1.851260
  H       1.896555     -1.459452     -0.534486
  H      -0.309245     -1.938156      3.121666
  H      -6.913251     -4.360333      4.882664
  H      -6.441225     -3.974010      2.032946
  H      -8.192442     -4.132788      2.297755
  H      -6.157186     -1.150835      4.632861
  H      -7.839986     -5.917451      6.255783
  H      -9.596686     -7.641093      6.617342
  H     -10.751291     -8.692488      4.647678
  H      -8.410394     -6.272815      1.985662
  H      -1.891342     -3.862508      6.807738
  H      -2.256928     -6.799133      7.480113
  H      -1.928925     -5.557834      8.707134
  H      -3.460056     -4.511271      9.749011
  H       0.367698     -4.439508      4.769041
  H       2.799347     -4.192737      5.088270
  H       3.830118     -4.575348      7.351326
  H      -0.047139     -5.376233      8.979285
  N      -2.870226     -2.915522      5.027892
  N      -1.734393     -2.328394      5.159324
  H      -0.840671     -2.823850      5.049181
  H      -1.695266     -1.368827      5.507417
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.648840219274
  N      -2.917825     -3.827774      2.511110
  C      -2.789169     -4.812581      1.441191
  C      -2.220657     -6.072536      2.047008
  N      -3.085600     -6.450962      3.192122
  C      -4.305137     -7.144210      2.694279
  C      -5.428669     -6.866617      3.655972
  N      -5.538207     -5.433903      3.777822
  Mo     -3.585010     -4.461597      4.320688
  N      -1.967204     -5.292057      5.292613
  C      -1.380845     -6.569556      4.907828
  C      -2.391468     -7.361996      4.130269
  H      -1.069139     -7.147257      5.794265
  H      -0.459787     -6.415987      4.314264
  H      -3.154456     -7.771515      4.805103
  H      -1.926341     -8.192569      3.571472
  H      -6.352105     -7.336474      3.290280
  H      -5.222376     -7.331103      4.652113
  H      -4.569841     -6.734499      1.712506
  H      -4.082850     -8.218414      2.580693
  H      -2.112968     -4.448274      0.653617
  H      -3.769201     -5.016318      0.965748
  H      -1.210152     -5.862933      2.420910
  H      -2.173872     -6.907813      1.328079
  C      -2.782148     -2.438341      2.065949
  C      -4.054435     -2.011507      1.268068
  C      -4.094858     -0.569462      0.870815
  S      -4.202498     -0.028164     -0.681814
  C      -4.046710      0.461471      1.950355
  O      -3.928977      0.205816      3.141676
  C      -1.482507     -2.186146      1.311940
  C      -1.408025     -2.178560     -0.089267
  C      -0.203069     -1.928439     -0.747911
  C       0.964477     -1.673902     -0.024526
  C       0.872354     -1.685141      1.361313
  F       1.996086     -1.431493      2.091862
  C      -0.312549     -1.939114      2.041844
  C      -6.911496     -4.913648      3.920579
  C      -7.250216     -3.917808      2.750431
  C      -7.308058     -2.506769      3.253786
  S      -8.532653     -1.424962      2.945276
  C      -6.194100     -2.129504      4.085059
  O      -5.226613     -2.898253      4.297106
  C      -7.993661     -5.964963      4.108982
  C      -8.348302     -6.348963      5.408740
  C      -9.327636     -7.320490      5.626118
  C      -9.974651     -7.933737      4.551675
  C      -9.610820     -7.541180      3.268135
  F     -10.226692     -8.127148      2.203661
  C      -8.643647     -6.575482      3.024213
  C      -1.568145     -4.902067      6.636875
  C      -2.355036     -5.743774      7.707588
  C      -3.786043     -5.330502      7.771234
  S      -4.824481     -5.563262      6.476448
  C      -4.235569     -4.651394      8.992954
  O      -5.352820     -4.184749      9.201294
  C      -0.047746     -4.900994      6.834885
  C       0.785785     -4.549100      5.758684
  C       2.166678     -4.425727      5.925127
  C       2.761799     -4.655034      7.165251
  C       1.926883     -5.013396      8.216699
  F       2.473254     -5.250153      9.438543
  C       0.549279     -5.138744      8.079898
  H      -2.757220     -1.816466      2.964682
  H      -4.890206     -2.202384      1.953521
  H      -4.198259     -2.628738      0.372408
  H      -4.120899      1.506129      1.567015
  H      -2.305166     -2.344148     -0.685794
  H      -0.174888     -1.919579     -1.838493
  H       1.916889     -1.465088     -0.511232
  H      -0.307265     -1.905195      3.132727
  H      -6.933705     -4.335205      4.854516
  H      -6.440087     -4.001982      2.006812
  H      -8.194950     -4.165798      2.254868
  H      -6.198982     -1.123534      4.545301
  H      -7.846207     -5.877111      6.255527
  H      -9.597644     -7.600014      6.645675
  H     -10.746611     -8.689826      4.694886
  H      -8.409109     -6.312896      1.991678
  H      -1.884820     -3.869361      6.820029
  H      -2.246462     -6.810498      7.457222
  H      -1.916736     -5.592501      8.704111
  H      -3.442115     -4.595283      9.784371
  H       0.353965     -4.397540      4.767329
  H       2.791249     -4.148161      5.075180
  H       3.836628     -4.566313      7.321513
  H      -0.026719     -5.417969      8.960536
  N      -2.898548     -2.921101      5.037465
  N      -1.783908     -2.299588      5.190120
  H      -0.877711     -2.779048      5.115041
  H      -1.782857     -1.346421      5.558181
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.650066630004
  N      -2.921132     -3.829976      2.509409
  C      -2.808738     -4.814721      1.438522
  C      -2.233237     -6.076384      2.037336
  N      -3.088766     -6.456073      3.188171
  C      -4.311947     -7.152529      2.704838
  C      -5.427359     -6.861325      3.672623
  N      -5.540999     -5.425123      3.776583
  Mo     -3.594713     -4.464548      4.321787
  N      -1.957210     -5.291460      5.288293
  C      -1.367999     -6.563734      4.893724
  C      -2.384376     -7.361463      4.125542
  H      -1.043121     -7.146592      5.772772
  H      -0.451826     -6.407416      4.293652
  H      -3.141392     -7.772002      4.806136
  H      -1.918715     -8.192682      3.567724
  H      -6.353129     -7.336773      3.321502
  H      -5.212722     -7.311597      4.673280
  H      -4.581077     -6.756792      1.718622
  H      -4.095804     -8.229397      2.603102
  H      -2.140896     -4.452704      0.642206
  H      -3.795291     -5.015360      0.977065
  H      -1.220992     -5.864932      2.404799
  H      -2.188656     -6.911528      1.318332
  C      -2.779925     -2.439211      2.070339
  C      -4.042475     -1.998194      1.262769
  C      -4.051247     -0.553002      0.870569
  S      -4.105636      0.000150     -0.679724
  C      -4.012054      0.468192      1.960610
  O      -3.924950      0.198058      3.151528
  C      -1.474777     -2.187686      1.321473
  C      -1.386520     -2.206290     -0.077931
  C      -0.176720     -1.958718     -0.729105
  C       0.981041     -1.679775      0.001615
  C       0.874721     -1.665595      1.386245
  F       1.987851     -1.384376      2.124312
  C      -0.314670     -1.919590      2.058659
  C      -6.919515     -4.909525      3.909000
  C      -7.261680     -3.936444      2.717829
  C      -7.327484     -2.515714      3.184258
  S      -8.546103     -1.443622      2.825417
  C      -6.227329     -2.111209      4.025070
  O      -5.259133     -2.865110      4.278937
  C      -7.999419     -5.960521      4.111211
  C      -8.347163     -6.328149      5.418018
  C      -9.323982     -7.298328      5.652468
  C      -9.975486     -7.925254      4.589017
  C      -9.619357     -7.547986      3.298830
  F     -10.241192     -8.147752      2.245940
  C      -8.654520     -6.584625      3.037628
  C      -1.562183     -4.906392      6.633837
  C      -2.344360     -5.757819      7.700529
  C      -3.776431     -5.350060      7.779916
  S      -4.822414     -5.539107      6.481774
  C      -4.227349     -4.716865      9.027855
  O      -5.345495     -4.260701      9.250100
  C      -0.042306     -4.895938      6.825660
  C       0.778331     -4.518595      5.748391
  C       2.159758     -4.396043      5.903770
  C       2.766584     -4.647908      7.134364
  C       1.942838     -5.027061      8.187900
  F       2.503453     -5.283397      9.398633
  C       0.563955     -5.154709      8.061154
  H      -2.759641     -1.823970      2.972524
  H      -4.888751     -2.179457      1.936399
  H      -4.181485     -2.609474      0.362027
  H      -4.059606      1.516699      1.584304
  H      -2.277777     -2.387366     -0.678849
  H      -0.138111     -1.968013     -1.819224
  H       1.936093     -1.469783     -0.479322
  H      -0.315067     -1.862351      3.147033
  H      -6.951972     -4.311296      4.829752
  H      -6.445917     -4.032301      1.981737
  H      -8.202272     -4.200416      2.223124
  H      -6.248507     -1.091980      4.455273
  H      -7.841586     -5.845622      6.256525
  H      -9.588013     -7.565742      6.676782
  H     -10.745826     -8.680182      4.746041
  H      -8.425014     -6.335105      2.000825
  H      -1.883444     -3.876501      6.828405
  H      -2.234150     -6.820670      7.433470
  H      -1.901661     -5.622362      8.697329
  H      -3.432788     -4.687499      9.819031
  H       0.333839     -4.349155      4.765698
  H       2.779333     -4.104468      5.054658
  H       3.842732     -4.560040      7.281218
  H      -0.004801     -5.453586      8.939804
  N      -2.930649     -2.932933      5.045576
  N      -1.841988     -2.266859      5.218160
  H      -0.923309     -2.725150      5.178743
  H      -1.889007     -1.321783      5.602766
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.651827154267
  N      -2.922059     -3.837505      2.511116
  C      -2.819294     -4.821181      1.441183
  C      -2.241144     -6.086528      2.033960
  N      -3.091726     -6.464200      3.188086
  C      -4.321217     -7.156278      2.716456
  C      -5.430105     -6.848457      3.687471
  N      -5.541768     -5.409055      3.776871
  Mo     -3.604743     -4.471353      4.323683
  N      -1.947773     -5.292452      5.286971
  C      -1.359198     -6.562996      4.887036
  C      -2.383032     -7.364499      4.128099
  H      -1.024744     -7.150332      5.760428
  H      -0.444859     -6.408690      4.284299
  H      -3.136072     -7.769570      4.815959
  H      -1.922767     -8.200734      3.572966
  H      -6.358978     -7.323608      3.343800
  H      -5.214772     -7.292614      4.689903
  H      -4.590188     -6.769811      1.726461
  H      -4.117651     -8.236679      2.622872
  H      -2.154768     -4.462741      0.639470
  H      -3.808247     -5.017067      0.984099
  H      -1.227211     -5.878421      2.397874
  H      -2.198339     -6.920530      1.313833
  C      -2.778473     -2.445006      2.076686
  C      -4.033321     -1.997688      1.252879
  C      -4.015032     -0.551422      0.864070
  S      -4.021351      0.007423     -0.685086
  C      -3.994071      0.466006      1.957052
  O      -3.942378      0.192116      3.149621
  C      -1.468987     -2.189665      1.331913
  C      -1.363168     -2.237861     -0.064273
  C      -0.145644     -1.990533     -0.702646
  C       0.996824     -1.680520      0.038280
  C       0.872406     -1.633892      1.420945
  F       1.969340     -1.315250      2.167769
  C      -0.322860     -1.891505      2.079764
  C      -6.924509     -4.892312      3.901223
  C      -7.269820     -3.938014      2.695846
  C      -7.343834     -2.509538      3.126987
  S      -8.555175     -1.450673      2.714315
  C      -6.259355     -2.075299      3.980366
  O      -5.293141     -2.813413      4.276749
  C      -7.999165     -5.948676      4.110077
  C      -8.340580     -6.303807      5.423023
  C      -9.309447     -7.278215      5.671670
  C      -9.958723     -7.921475      4.616827
  C      -9.609066     -7.556585      3.321773
  F     -10.230006     -8.173250      2.278613
  C      -8.651815     -6.589493      3.046142
  C      -1.556109     -4.910366      6.633563
  C      -2.334812     -5.767859      7.697456
  C      -3.767500     -5.370667      7.791781
  S      -4.820893     -5.517134      6.490647
  C      -4.223185     -4.781494      9.059676
  O      -5.345972     -4.342434      9.291374
  C      -0.037821     -4.893356      6.814853
  C       0.766411     -4.495167      5.732385
  C       2.149232     -4.379158      5.867031
  C       2.772520     -4.655131      7.085470
  C       1.964593     -5.048238      8.145696
  F       2.546151     -5.323188      9.341748
  C       0.582996     -5.173182      8.037637
  H      -2.773546     -1.831580      2.979224
  H      -4.892880     -2.172433      1.909666
  H      -4.156035     -2.612086      0.351934
  H      -4.018363      1.516177      1.584423
  H      -2.246160     -2.439123     -0.670629
  H      -0.090143     -2.022253     -1.791515
  H       1.955348     -1.467836     -0.434799
  H      -0.337149     -1.810908      3.164364
  H      -6.967194     -4.281062      4.812199
  H      -6.452694     -4.045172      1.962367
  H      -8.208067     -4.214848      2.204140
  H      -6.301555     -1.043565      4.378243
  H      -7.836972     -5.808720      6.255166
  H      -9.568226     -7.535934      6.699744
  H     -10.723103     -8.680096      4.784694
  H      -8.425441     -6.351872      2.006023
  H      -1.885430     -3.883757      6.835154
  H      -2.221987     -6.827670      7.418011
  H      -1.883149     -5.640163      8.691330
  H      -3.429544     -4.768522      9.851468
  H       0.302321     -4.305066      4.762511
  H       2.760875     -4.078707      5.015169
  H       3.851208     -4.573705      7.216219
  H       0.024153     -5.486276      8.917492
  N      -2.964119     -2.945864      5.055396
  N      -1.904671     -2.228165      5.247534
  H      -0.975769     -2.664124      5.244044
  H      -2.008094     -1.292796      5.642318
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.654112390681
  N      -2.919755     -3.854835      2.515145
  C      -2.819823     -4.835130      1.445683
  C      -2.242076     -6.104347      2.032790
  N      -3.090269     -6.479776      3.188715
  C      -4.326974     -7.162858      2.726443
  C      -5.431854     -6.838286      3.698257
  N      -5.538268     -5.396555      3.777526
  Mo     -3.611097     -4.488616      4.324268
  N      -1.940067     -5.300766      5.284484
  C      -1.351599     -6.570558      4.882886
  C      -2.379622     -7.375569      4.130971
  H      -1.010551     -7.159311      5.753473
  H      -0.437666     -6.417057      4.279609
  H      -3.128917     -7.774937      4.826148
  H      -1.926681     -8.216691      3.577042
  H      -6.362786     -7.310971      3.356713
  H      -5.219883     -7.282303      4.700706
  H      -4.593625     -6.780162      1.734168
  H      -4.137557     -8.246548      2.637304
  H      -2.156050     -4.479071      0.641373
  H      -3.808352     -5.027503      0.985994
  H      -1.226350     -5.902389      2.394800
  H      -2.201069     -6.935540      1.309488
  C      -2.774929     -2.460925      2.083846
  C      -4.025427     -2.016970      1.240950
  C      -3.995127     -0.572474      0.851889
  S      -3.968663     -0.016980     -0.699473
  C      -3.989569      0.449939      1.937321
  O      -3.960856      0.186697      3.133704
  C      -1.461687     -2.195920      1.346784
  C      -1.332749     -2.270994     -0.045374
  C      -0.107174     -2.010801     -0.665019
  C       1.012281     -1.658535      0.089323
  C       0.864581     -1.579979      1.468920
  F       1.937808     -1.213730      2.225940
  C      -0.335970     -1.854096      2.109125
  C      -6.922367     -4.870069      3.893447
  C      -7.266010     -3.934637      2.675937
  C      -7.353689     -2.499295      3.074237
  S      -8.562741     -1.460918      2.613262
  C      -6.288341     -2.032138      3.943653
  O      -5.327067     -2.752310      4.283595
  C      -7.997273     -5.926731      4.109975
  C      -8.332336     -6.268853      5.429069
  C      -9.298188     -7.241864      5.692801
  C      -9.951426     -7.895973      4.646844
  C      -9.609149     -7.543093      3.347142
  F     -10.235274     -8.170101      2.313495
  C      -8.654258     -6.577494      3.056471
  C      -1.549353     -4.919304      6.631728
  C      -2.321807     -5.783893      7.692642
  C      -3.754699     -5.400412      7.801873
  S      -4.814318     -5.507301      6.498648
  C      -4.216296     -4.854390      9.084324
  O      -5.345821     -4.436131      9.325101
  C      -0.032602     -4.894639      6.800913
  C       0.754709     -4.475687      5.712830
  C       2.138345     -4.359906      5.825103
  C       2.779146     -4.655777      7.031310
  C       1.989225     -5.063926      8.097985
  F       2.592624     -5.353840      9.279517
  C       0.605555     -5.190986      8.010451
  H      -2.791870     -1.844070      2.983502
  H      -4.896331     -2.191014      1.882233
  H      -4.126251     -2.642510      0.345338
  H      -4.002212      1.498935      1.561853
  H      -2.202501     -2.500613     -0.660185
  H      -0.028197     -2.064602     -1.751604
  H       1.973735     -1.434020     -0.372824
  H      -0.374344     -1.751745      3.190495
  H      -6.968761     -4.248852      4.796467
  H      -6.447197     -4.051903      1.945300
  H      -8.200768     -4.223899      2.184292
  H      -6.357427     -0.989210      4.308039
  H      -7.826026     -5.765722      6.254594
  H      -9.551102     -7.489647      6.724742
  H     -10.714073     -8.653934      4.825535
  H      -8.433280     -6.350341      2.012834
  H      -1.891238     -3.896995      6.834868
  H      -2.205889     -6.841062      7.403004
  H      -1.857891     -5.659084      8.681504
  H      -3.424660     -4.850951      9.877742
  H       0.269148     -4.267283      4.757075
  H       2.739151     -4.047838      4.969728
  H       3.859939     -4.576527      7.145461
  H       0.058478     -5.517550      8.892858
  N      -2.998849     -2.971410      5.063325
  N      -1.977973     -2.192765      5.274852
  H      -1.037390     -2.597980      5.304656
  H      -2.147223     -1.270542      5.674734
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.657135066426
  N      -2.914798     -3.881610      2.524480
  C      -2.811858     -4.856589      1.453944
  C      -2.239627     -6.130148      2.036559
  N      -3.089228     -6.502546      3.192216
  C      -4.334362     -7.169737      2.734522
  C      -5.438379     -6.826941      3.702552
  N      -5.531119     -5.383990      3.778295
  Mo     -3.614526     -4.516836      4.324441
  N      -1.939929     -5.314511      5.281347
  C      -1.350852     -6.584816      4.881713
  C      -2.379663     -7.394601      4.135692
  H      -1.005376     -7.169536      5.753373
  H      -0.437387     -6.429582      4.277723
  H      -3.125197     -7.788234      4.838598
  H      -1.935493     -8.240346      3.581700
  H      -6.371952     -7.291752      3.356314
  H      -5.235716     -7.277366      4.703291
  H      -4.594907     -6.783081      1.741811
  H      -4.161585     -8.256445      2.645633
  H      -2.146474     -4.501999      0.649856
  H      -3.797901     -5.046525      0.985887
  H      -1.222355     -5.937165      2.399275
  H      -2.200662     -6.956847      1.307851
  C      -2.770176     -2.488269      2.091796
  C      -4.019051     -2.060900      1.227132
  C      -3.997489     -0.622734      0.827586
  S      -3.954531     -0.087265     -0.733309
  C      -4.010503      0.418510      1.889393
  O      -3.991981      0.186912      3.093349
  C      -1.454849     -2.208086      1.367312
  C      -1.298418     -2.303065     -0.020695
  C      -0.065666     -2.017577     -0.616738
  C       1.024424     -1.618863      0.153500
  C       0.849588     -1.514809      1.529414
  F       1.893264     -1.100128      2.297999
  C      -0.355290     -1.815538      2.146838
  C      -6.911181     -4.838497      3.887616
  C      -7.249121     -3.913460      2.666925
  C      -7.355730     -2.473333      3.045542
  S      -8.567089     -1.458373      2.548418
  C      -6.311625     -1.974201      3.933657
  O      -5.358109     -2.677429      4.312528
  C      -7.988612     -5.894618      4.107923
  C      -8.318417     -6.231078      5.430634
  C      -9.282615     -7.202452      5.703775
  C      -9.940424     -7.861134      4.662684
  C      -9.603760     -7.513854      3.360793
  F     -10.233946     -8.144573      2.331650
  C      -8.649718     -6.549159      3.061058
  C      -1.543773     -4.931756      6.628500
  C      -2.304744     -5.802393      7.689405
  C      -3.737226     -5.432570      7.812021
  S      -4.802697     -5.513231      6.509359
  C      -4.202323     -4.917143      9.099731
  O      -5.338840     -4.517802      9.349847
  C      -0.027211     -4.900949      6.782857
  C       0.744693     -4.468456      5.687146
  C       2.128833     -4.347904      5.776812
  C       2.786918     -4.654163      6.972666
  C       2.015407     -5.073346      8.046158
  F       2.638876     -5.371328      9.216015
  C       0.630495     -5.205439      7.980153
  H      -2.812798     -1.860912      2.984229
  H      -4.897082     -2.240192      1.857970
  H      -4.094640     -2.706490      0.343940
  H      -4.028276      1.461560      1.498327
  H      -2.150143     -2.565452     -0.647024
  H       0.041902     -2.088468     -1.700092
  H       1.987980     -1.374871     -0.295058
  H      -0.429301     -1.697434      3.225691
  H      -6.953030     -4.217103      4.789605
  H      -6.429879     -4.034519      1.936974
  H      -8.179934     -4.210227      2.171281
  H      -6.410895     -0.923459      4.268863
  H      -7.808785     -5.725442      6.252641
  H      -9.530623     -7.445438      6.738058
  H     -10.702414     -8.618590      4.846971
  H      -8.433586     -6.327485      2.015098
  H      -1.899782     -3.914166      6.827893
  H      -2.186656     -6.858490      7.395805
  H      -1.825900     -5.673036      8.671060
  H      -3.413049     -4.914592      9.895532
  H       0.238286     -4.251028      4.743929
  H       2.715839     -4.025939      4.915653
  H       3.869322     -4.573307      7.071061
  H       0.096488     -5.540804      8.867672
  N      -3.033999     -2.998953      5.073209
  N      -2.055906     -2.161967      5.305624
  H      -1.104594     -2.534511      5.361311
  H      -2.289368     -1.254376      5.703942
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.660597163280
  N      -2.907117     -3.911845      2.533241
  C      -2.802059     -4.881582      1.458803
  C      -2.237974     -6.159010      2.037494
  N      -3.088554     -6.528707      3.193824
  C      -4.341651     -7.180842      2.740531
  C      -5.444945     -6.819230      3.704044
  N      -5.522641     -5.375278      3.777615
  Mo     -3.613212     -4.549605      4.322039
  N      -1.944358     -5.330851      5.272060
  C      -1.352690     -6.601160      4.876059
  C      -2.379017     -7.417404      4.136533
  H      -1.002215     -7.177077      5.750970
  H      -0.442122     -6.441150      4.267882
  H      -3.120573     -7.808001      4.846163
  H      -1.940398     -8.265925      3.582422
  H      -6.381369     -7.276391      3.355169
  H      -5.249508     -7.273006      4.704574
  H      -4.597311     -6.790163      1.747784
  H      -4.182756     -8.269778      2.653494
  H      -2.136019     -4.527033      0.655670
  H      -3.787020     -5.070005      0.985244
  H      -1.219082     -5.974016      2.400276
  H      -2.203263     -6.981686      1.303697
  C      -2.761273     -2.520005      2.098087
  C      -4.008654     -2.111439      1.216247
  C      -4.008874     -0.680317      0.804933
  S      -3.964913     -0.166765     -0.766661
  C      -4.043432      0.379760      1.842144
  O      -4.024896      0.180297      3.052692
  C      -1.443751     -2.222572      1.392114
  C      -1.256681     -2.331655      0.008125
  C      -0.019519     -2.015248     -0.563681
  C       1.039154     -1.570911      0.222847
  C       0.834395     -1.449582      1.594243
  F       1.846232     -0.989536      2.375043
  C      -0.373493     -1.780988      2.188900
  C      -6.895801     -4.809544      3.881040
  C      -7.227723     -3.894076      2.656414
  C      -7.356328     -2.447996      3.016927
  S      -8.571596     -1.457410      2.488284
  C      -6.335228     -1.915323      3.921777
  O      -5.390599     -2.599531      4.339227
  C      -7.980030     -5.859109      4.109997
  C      -8.305570     -6.189957      5.435282
  C      -9.273274     -7.154844      5.716938
  C      -9.940632     -7.813434      4.680793
  C      -9.608727     -7.471529      3.376750
  F     -10.246647     -8.100730      2.350858
  C      -8.650553     -6.512503      3.069036
  C      -1.538554     -4.946329      6.618913
  C      -2.281598     -5.824933      7.682287
  C      -3.714301     -5.465959      7.819185
  S      -4.783862     -5.527089      6.519089
  C      -4.178838     -4.978077      9.111475
  O      -5.319618     -4.592871      9.376341
  C      -0.020478     -4.906701      6.760068
  C       0.740082     -4.460291      5.660338
  C       2.124275     -4.329151      5.736347
  C       2.795482     -4.640527      6.924259
  C       2.037788     -5.073364      8.000206
  F       2.673464     -5.376880      9.163463
  C       0.653423     -5.215225      7.948122
  H      -2.824128     -1.882610      2.983654
  H      -4.887751     -2.301052      1.844446
  H      -4.065732     -2.771405      0.342766
  H      -4.079437      1.415735      1.433565
  H      -2.086806     -2.626617     -0.632375
  H       0.116791     -2.097870     -1.643228
  H       2.003659     -1.303186     -0.210522
  H      -0.487812     -1.652229      3.265733
  H      -6.927801     -4.188127      4.782582
  H      -6.407417     -4.017090      1.928124
  H      -8.153988     -4.198443      2.155834
  H      -6.464124     -0.857863      4.227463
  H      -7.788692     -5.685557      6.253762
  H      -9.516978     -7.393176      6.753374
  H     -10.705932     -8.566454      4.870225
  H      -8.439614     -6.296030      2.020724
  H      -1.905851     -3.932713      6.814076
  H      -2.161842     -6.880277      7.386425
  H      -1.790307     -5.692567      8.657751
  H      -3.389626     -4.979352      9.907800
  H       0.219415     -4.237279      4.725787
  H       2.698007     -3.994217      4.871521
  H       3.878341     -4.552626      7.013461
  H       0.131090     -5.560703      8.839230
  N      -3.069082     -3.034448      5.076727
  N      -2.139913     -2.144956      5.329235
  H      -1.177066     -2.479570      5.406691
  H      -2.433189     -1.254578      5.725818
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.664527100768
  N      -2.900136     -3.940452      2.540798
  C      -2.792643     -4.906129      1.458849
  C      -2.239861     -6.187693      2.033935
  N      -3.090724     -6.557191      3.191213
  C      -4.350379     -7.197764      2.740789
  C      -5.453087     -6.818998      3.699692
  N      -5.514893     -5.373708      3.773607
  Mo     -3.610225     -4.585999      4.316535
  N      -1.955204     -5.346326      5.254026
  C      -1.358273     -6.616584      4.863022
  C      -2.379723     -7.442479      4.131900
  H      -1.001989     -7.178839      5.743044
  H      -0.453494     -6.449860      4.246611
  H      -3.117978     -7.831893      4.846714
  H      -1.941494     -8.292677      3.580083
  H      -6.393269     -7.267660      3.350351
  H      -5.262302     -7.272249      4.701654
  H      -4.602804     -6.803928      1.748180
  H      -4.201281     -8.287942      2.657241
  H      -2.125534     -4.549595      0.658970
  H      -3.777970     -5.092972      0.983000
  H      -1.219642     -6.008686      2.396432
  H      -2.211494     -7.007204      1.295867
  C      -2.755093     -2.550466      2.103012
  C      -3.994833     -2.158888      1.206507
  C      -4.016382     -0.736927      0.773156
  S      -3.977487     -0.256334     -0.811915
  C      -4.060232      0.345928      1.783041
  O      -4.031596      0.179328      2.998838
  C      -1.433843     -2.236425      1.423601
  C      -1.213568     -2.355354      0.043620
  C       0.025604     -2.010508     -0.505248
  C       1.054315     -1.525895      0.297526
  C       0.816612     -1.392854      1.662912
  F       1.797398     -0.892461      2.455834
  C      -0.394405     -1.752000      2.236809
  C      -6.878329     -4.789747      3.876856
  C      -7.208374     -3.878007      2.650722
  C      -7.358299     -2.425542      2.998690
  S      -8.577505     -1.455927      2.444833
  C      -6.361236     -1.861866      3.916280
  O      -5.423996     -2.528018      4.366549
  C      -7.971119     -5.828265      4.118538
  C      -8.292630     -6.156499      5.444452
  C      -9.267732     -7.111943      5.731773
  C      -9.948343     -7.765076      4.699973
  C      -9.620205     -7.426228      3.394100
  F     -10.268451     -8.048300      2.369539
  C      -8.654500     -6.476014      3.081277
  C      -1.536068     -4.959317      6.600167
  C      -2.251237     -5.847131      7.670761
  C      -3.686349     -5.496951      7.821799
  S      -4.759220     -5.553291      6.527366
  C      -4.144492     -5.029591      9.119189
  O      -5.286241     -4.655720      9.406318
  C      -0.014689     -4.906796      6.730031
  C       0.739245     -4.445098      5.631850
  C       2.124064     -4.303783      5.706395
  C       2.802732     -4.620051      6.887836
  C       2.051536     -5.069043      7.960787
  F       2.688895     -5.381357      9.122455
  C       0.669301     -5.220617      7.911969
  H      -2.830690     -1.905485      2.983994
  H      -4.870919     -2.353546      1.839543
  H      -4.045534     -2.826818      0.338838
  H      -4.114708      1.371735      1.350578
  H      -2.019954     -2.678570     -0.613828
  H       0.188388     -2.101814     -1.580608
  H       2.019666     -1.235491     -0.118936
  H      -0.551360     -1.615950      3.310584
  H      -6.894855     -4.169837      4.779846
  H      -6.389374     -3.999536      1.921518
  H      -8.131872     -4.187588      2.147754
  H      -6.512696     -0.799369      4.196890
  H      -7.765472     -5.657302      6.259936
  H      -9.507709     -7.347822      6.769674
  H     -10.719740     -8.510919      4.893219
  H      -8.448705     -6.263080      2.031129
  H      -1.911661     -3.948923      6.793308
  H      -2.127537     -6.902565      7.377658
  H      -1.752345     -5.711473      8.641944
  H      -3.349265     -5.033128      9.910269
  H       0.213176     -4.216060      4.701341
  H       2.687916     -3.954571      4.841606
  H       3.885184     -4.524413      6.975348
  H       0.155437     -5.579101      8.803242
  N      -3.107790     -3.057152      5.079522
  N      -2.230451     -2.130126      5.355476
  H      -1.255510     -2.422496      5.453976
  H      -2.573255     -1.256083      5.750160
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.668374674795
  N      -2.892400     -3.966161      2.541956
  C      -2.786012     -4.931344      1.454388
  C      -2.244681     -6.218238      2.026932
  N      -3.094092     -6.585330      3.187114
  C      -4.361147     -7.217042      2.741705
  C      -5.460093     -6.820613      3.699040
  N      -5.510122     -5.371912      3.771483
  Mo     -3.606902     -4.617492      4.311313
  N      -1.958384     -5.363827      5.237891
  C      -1.359314     -6.635566      4.850812
  C      -2.381077     -7.468082      4.128003
  H      -0.998450     -7.188837      5.733720
  H      -0.459860     -6.467392      4.226750
  H      -3.118167     -7.854552      4.846134
  H      -1.941810     -8.321167      3.581349
  H      -6.404891     -7.260814      3.352545
  H      -5.271839     -7.269671      4.703565
  H      -4.611746     -6.825332      1.747652
  H      -4.222677     -8.308777      2.664814
  H      -2.116901     -4.574261      0.657714
  H      -3.772856     -5.113924      0.979908
  H      -1.222323     -6.045699      2.386329
  H      -2.226149     -7.037474      1.288161
  C      -2.749691     -2.574616      2.105797
  C      -3.975459     -2.189562      1.195512
  C      -4.001696     -0.769825      0.752433
  S      -3.958299     -0.301177     -0.836734
  C      -4.050648      0.318387      1.756962
  O      -4.018202      0.155169      2.973288
  C      -1.421087     -2.244033      1.455725
  C      -1.165302     -2.370739      0.081516
  C       0.074612     -1.998947     -0.444699
  C       1.072488     -1.475145      0.375106
  C       0.797502     -1.332851      1.731991
  F       1.745243     -0.791634      2.539622
  C      -0.415959     -1.720051      2.284880
  C      -6.867527     -4.777518      3.870269
  C      -7.194807     -3.879817      2.630421
  C      -7.367474     -2.421028      2.950452
  S      -8.586387     -1.475829      2.357197
  C      -6.398184     -1.819218      3.877063
  O      -5.467027     -2.458944      4.369589
  C      -7.969064     -5.801826      4.131338
  C      -8.289589     -6.113444      5.460434
  C      -9.273450     -7.056147      5.760505
  C      -9.964915     -7.713576      4.738842
  C      -9.637540     -7.391473      3.428023
  F     -10.294531     -8.017523      2.411172
  C      -8.663530     -6.454422      3.102662
  C      -1.529932     -4.972619      6.582191
  C      -2.220949     -5.867483      7.660764
  C      -3.660397     -5.527437      7.824941
  S      -4.735252     -5.571611      6.535142
  C      -4.112749     -5.087392      9.134316
  O      -5.254044     -4.728042      9.442618
  C      -0.005624     -4.904582      6.699209
  C       0.735959     -4.428063      5.600483
  C       2.121171     -4.276447      5.671300
  C       2.811507     -4.595558      6.843631
  C       2.069687     -5.060263      7.917376
  F       2.713004     -5.378721      9.074736
  C       0.689463     -5.222180      7.874178
  H      -2.837149     -1.930513      2.986450
  H      -4.852638     -2.387329      1.827262
  H      -4.023176     -2.852094      0.323381
  H      -4.110771      1.340922      1.316981
  H      -1.946655     -2.719413     -0.593599
  H       0.262859     -2.098044     -1.515199
  H       2.038283     -1.161596     -0.022518
  H      -0.610755     -1.575932      3.352271
  H      -6.875220     -4.147180      4.766176
  H      -6.371428     -4.003740      1.907329
  H      -8.111923     -4.202680      2.124400
  H      -6.572349     -0.750448      4.123605
  H      -7.753727     -5.611366      6.268650
  H      -9.512201     -7.278971      6.801607
  H     -10.742950     -8.449575      4.942662
  H      -8.460059     -6.256042      2.049286
  H      -1.909791     -3.963562      6.775248
  H      -2.090692     -6.922540      7.369688
  H      -1.720385     -5.732170      8.630537
  H      -3.309435     -5.100195      9.917426
  H       0.203925     -4.192997      4.674972
  H       2.674175     -3.914150      4.805224
  H       3.893546     -4.491374      6.925949
  H       0.186735     -5.593144      8.766472
  N      -3.147849     -3.093111      5.074038
  N      -2.328084     -2.127377      5.368543
  H      -1.342407     -2.369611      5.496315
  H      -2.722091     -1.273415      5.762011
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.672260747730
  N      -2.884513     -3.990111      2.539149
  C      -2.775597     -4.957560      1.448212
  C      -2.247348     -6.250365      2.020711
  N      -3.097236     -6.616018      3.182072
  C      -4.370429     -7.241550      2.738311
  C      -5.467161     -6.830906      3.693846
  N      -5.506761     -5.377349      3.766569
  Mo     -3.605780     -4.650513      4.304551
  N      -1.959184     -5.382860      5.224436
  C      -1.358407     -6.658146      4.841931
  C      -2.383096     -7.496433      4.126056
  H      -0.994842     -7.204658      5.727233
  H      -0.463683     -6.492060      4.211505
  H      -3.121715     -7.878724      4.844802
  H      -1.939787     -8.352781      3.587671
  H      -6.416402     -7.260504      3.347733
  H      -5.283837     -7.275500      4.700755
  H      -4.616895     -6.852894      1.742054
  H      -4.241937     -8.334603      2.667934
  H      -2.100161     -4.600578      0.657509
  H      -3.762548     -5.133886      0.973029
  H      -1.223667     -6.084088      2.378692
  H      -2.237838     -7.070667      1.283086
  C      -2.752920     -2.596277      2.106824
  C      -3.958544     -2.215074      1.181574
  C      -3.979505     -0.793458      0.730452
  S      -3.927222     -0.330575     -0.858341
  C      -4.024611      0.292765      1.741261
  O      -3.985941      0.116368      2.955273
  C      -1.412723     -2.247800      1.491503
  C      -1.118253     -2.380028      0.125202
  C       0.122477     -1.984572     -0.377193
  C       1.088971     -1.426024      0.461882
  C       0.772514     -1.278067      1.807678
  F       1.686817     -0.700413      2.633276
  C      -0.444389     -1.689742      2.337869
  C      -6.858322     -4.773052      3.863334
  C      -7.182591     -3.885683      2.610125
  C      -7.378130     -2.423667      2.903781
  S      -8.597456     -1.504156      2.270887
  C      -6.439171     -1.785707      3.836300
  O      -5.511127     -2.399487      4.368090
  C      -7.969593     -5.780246      4.142980
  C      -8.288700     -6.074239      5.475249
  C      -9.282985     -7.002464      5.788067
  C      -9.986333     -7.662563      4.777442
  C      -9.659733     -7.358330      3.461206
  F     -10.327677     -7.987900      2.453915
  C      -8.676465     -6.436894      3.122977
  C      -1.521605     -4.982545      6.563829
  C      -2.189010     -5.878344      7.654601
  C      -3.635138     -5.549942      7.827309
  S      -4.714774     -5.597266      6.544046
  C      -4.080090     -5.126514      9.149146
  O      -5.219722     -4.782742      9.474798
  C       0.005375     -4.898877      6.663851
  C       0.731202     -4.414341      5.561072
  C       2.117290     -4.257525      5.625623
  C       2.821588     -4.576018      6.787642
  C       2.090095     -5.050054      7.866992
  F       2.742104     -5.371901      9.018085
  C       0.711186     -5.218012      7.831845
  H      -2.855358     -1.959412      2.990082
  H      -4.840836     -2.412787      1.806758
  H      -4.005609     -2.865613      0.299806
  H      -4.083983      1.315052      1.300359
  H      -1.872862     -2.751163     -0.568844
  H       0.336126     -2.090389     -1.442058
  H       2.056067     -1.091257      0.086535
  H      -0.674953     -1.537642      3.395488
  H      -6.856921     -4.130605      4.751091
  H      -6.352868     -4.008368      1.894848
  H      -8.091842     -4.223303      2.100225
  H      -6.630120     -0.712355      4.051964
  H      -7.742688     -5.570325      6.275510
  H      -9.520492     -7.211785      6.832253
  H     -10.771903     -8.386937      4.992893
  H      -8.475190     -6.253401      2.066704
  H      -1.904133     -3.973842      6.757350
  H      -2.049292     -6.934359      7.372011
  H      -1.690869     -5.738393      8.624285
  H      -3.264463     -5.139377      9.919377
  H       0.193999     -4.176273      4.639927
  H       2.660424     -3.888711      4.755944
  H       3.903531     -4.466392      6.861193
  H       0.220334     -5.597094      8.726866
  N      -3.196058     -3.108096      5.072132
  N      -2.429647     -2.115749      5.388747
  H      -1.436680     -2.307151      5.548446
  H      -2.864563     -1.277496      5.776497
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.675802511334
  N      -2.876360     -4.014570      2.535552
  C      -2.765000     -4.982091      1.444293
  C      -2.247783     -6.281478      2.015994
  N      -3.099515     -6.644574      3.177415
  C      -4.379059     -7.261567      2.735338
  C      -5.474052     -6.837645      3.688854
  N      -5.503877     -5.380333      3.761554
  Mo     -3.607132     -4.680391      4.298215
  N      -1.954615     -5.404988      5.216890
  C      -1.355163     -6.683410      4.836780
  C      -2.385532     -7.523562      4.124673
  H      -0.989760     -7.228957      5.721957
  H      -0.462825     -6.520634      4.203328
  H      -3.125370     -7.901987      4.843807
  H      -1.941092     -8.382492      3.591284
  H      -6.427367     -7.256573      3.341093
  H      -5.297663     -7.281064      4.696535
  H      -4.618832     -6.875757      1.736358
  H      -4.263206     -8.356370      2.670471
  H      -2.081600     -4.626355      0.659315
  H      -3.750496     -5.150104      0.964218
  H      -1.222937     -6.123978      2.374194
  H      -2.245212     -7.101359      1.278137
  C      -2.753927     -2.617176      2.110654
  C      -3.939726     -2.236095      1.165273
  C      -3.945859     -0.811154      0.712309
  S      -3.868794     -0.349873     -0.873672
  C      -3.996543      0.273195      1.727767
  O      -3.966081      0.088930      2.940665
  C      -1.401628     -2.250663      1.528070
  C      -1.066458     -2.390087      0.172582
  C       0.176468     -1.968337     -0.301352
  C       1.104536     -1.372908      0.557857
  C       0.744912     -1.217813      1.891117
  F       1.619493     -0.602223      2.735522
  C      -0.474167     -1.656339      2.393626
  C      -6.850828     -4.763920      3.852882
  C      -7.169855     -3.893455      2.584076
  C      -7.390441     -2.430598      2.846968
  S      -8.610273     -1.543527      2.169611
  C      -6.482267     -1.753118      3.784534
  O      -5.559527     -2.337107      4.358053
  C      -7.969184     -5.756598      4.153558
  C      -8.281761     -6.025043      5.492772
  C      -9.281963     -6.939549      5.827660
  C      -9.997159     -7.610543      4.833667
  C      -9.676527     -7.331967      3.509888
  F     -10.356387     -7.974240      2.519233
  C      -8.688209     -6.425261      3.149472
  C      -1.511729     -4.994679      6.550804
  C      -2.166090     -5.888232      7.649492
  C      -3.617150     -5.574794      7.828219
  S      -4.703257     -5.617023      6.549543
  C      -4.060749     -5.173145      9.160877
  O      -5.202005     -4.848467      9.494011
  C       0.015261     -4.898489      6.631892
  C       0.719318     -4.405233      5.520443
  C       2.105070     -4.241935      5.566551
  C       2.829328     -4.560909      6.715770
  C       2.116375     -5.043792      7.805364
  F       2.788307     -5.366613      8.943732
  C       0.737603     -5.218699      7.788838
  H      -2.878920     -1.988414      2.995193
  H      -4.834603     -2.432040      1.772804
  H      -3.975386     -2.880136      0.277724
  H      -4.048445      1.295535      1.286310
  H      -1.792433     -2.786164     -0.538272
  H       0.420840     -2.080790     -1.358731
  H       2.072205     -1.015500      0.206102
  H      -0.740330     -1.494734      3.439729
  H      -6.842149     -4.104894      4.727888
  H      -6.329589     -4.015174      1.881150
  H      -8.067473     -4.251182      2.067571
  H      -6.694500     -0.676630      3.963410
  H      -7.725554     -5.512948      6.280563
  H      -9.514127     -7.129094      6.876807
  H     -10.787051     -8.324368      5.067373
  H      -8.492407     -6.262552      2.088908
  H      -1.897804     -3.986377      6.742861
  H      -2.018000     -6.944694      7.372259
  H      -1.668310     -5.742516      8.618426
  H      -3.238632     -5.186984      9.923752
  H       0.168475     -4.163085      4.608946
  H       2.634273     -3.866250      4.690551
  H       3.911513     -4.445448      6.773100
  H       0.262469     -5.605161      8.688980
  N      -3.246760     -3.138286      5.066753
  N      -2.538539     -2.109542      5.402565
  H      -1.543791     -2.248899      5.596562
  H      -3.021437     -1.293300      5.780821
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.679241055352
  N      -2.867621     -4.036968      2.531084
  C      -2.751671     -5.003137      1.440896
  C      -2.246086     -6.309375      2.011656
  N      -3.101455     -6.672023      3.171174
  C      -4.385304     -7.281227      2.726739
  C      -5.482388     -6.850126      3.676105
  N      -5.501847     -5.390315      3.752994
  Mo     -3.608422     -4.710797      4.290280
  N      -1.949378     -5.430221      5.212028
  C      -1.353232     -6.712121      4.834528
  C      -2.389252     -7.550852      4.122384
  H      -0.988275     -7.259088      5.719243
  H      -0.461908     -6.553607      4.199773
  H      -3.131557     -7.926111      4.840048
  H      -1.943122     -8.411125      3.592589
  H      -6.438872     -7.257066      3.322396
  H      -5.315741     -7.295432      4.683337
  H      -4.615160     -6.896111      1.725217
  H      -4.279967     -8.377300      2.665019
  H      -2.056960     -4.649401      0.663902
  H      -3.733869     -5.160942      0.951332
  H      -1.220885     -6.161808      2.372618
  H      -2.248350     -7.127140      1.271740
  C      -2.757075     -2.636416      2.115829
  C      -3.921586     -2.254105      1.147917
  C      -3.911858     -0.825851      0.692705
  S      -3.805528     -0.370042     -0.890170
  C      -3.974275      0.260604      1.708474
  O      -3.956464      0.076360      2.921079
  C      -1.391440     -2.251597      1.568264
  C      -1.015027     -2.396485      0.225396
  C       0.231305     -1.950604     -0.217519
  C       1.119440     -1.324204      0.662594
  C       0.717028     -1.165198      1.982585
  F       1.551576     -0.518812      2.846958
  C      -0.504509     -1.627325      2.454834
  C      -6.842389     -4.757752      3.842169
  C      -7.156945     -3.901261      2.561301
  C      -7.405324     -2.439617      2.797616
  S      -8.629466     -1.589641      2.078844
  C      -6.527639     -1.724727      3.736073
  O      -5.609443     -2.281862      4.344053
  C      -7.967079     -5.735783      4.163745
  C      -8.268301     -5.980381      5.510608
  C      -9.273044     -6.881035      5.869421
  C     -10.003019     -7.560623      4.893068
  C      -9.693114     -7.305839      3.561776
  F     -10.388570     -7.958768      2.589761
  C      -8.701041     -6.413758      3.177369
  C      -1.501230     -5.006153      6.537982
  C      -2.145936     -5.890362      7.647150
  C      -3.601092     -5.593040      7.827369
  S      -4.696292     -5.645277      6.554844
  C      -4.045298     -5.200850      9.166197
  O      -5.189726     -4.894774      9.499649
  C       0.024328     -4.900282      6.599640
  C       0.705866     -4.403268      5.476818
  C       2.090726     -4.235717      5.499956
  C       2.835409     -4.553079      6.637055
  C       2.142769     -5.039835      7.739347
  F       2.837491     -5.360715      8.863268
  C       0.763571     -5.219474      7.745092
  H      -2.907706     -2.017650      3.002139
  H      -4.833284     -2.445968      1.730981
  H      -3.941290     -2.894017      0.256455
  H      -4.020061      1.280837      1.261708
  H      -1.712043     -2.814898     -0.501475
  H       0.507690     -2.067339     -1.266366
  H       2.088149     -0.946357      0.336196
  H      -0.804330     -1.457439      3.489149
  H      -6.822074     -4.083258      4.704436
  H      -6.304623     -4.017131      1.871923
  H      -8.040483     -4.282053      2.037055
  H      -6.757930     -0.646977      3.881215
  H      -7.699451     -5.461933      6.284767
  H      -9.496131     -7.052279      6.923646
  H     -10.796401     -8.263785      5.146270
  H      -8.514230     -6.269308      2.112586
  H      -1.889849     -3.996992      6.725022
  H      -1.989285     -6.948754      7.381206
  H      -1.648250     -5.731269      8.614459
  H      -3.217842     -5.205351      9.922895
  H       0.140468     -4.160410      4.575131
  H       2.605774     -3.857647      4.615713
  H       3.917881     -4.433630      6.675804
  H       0.303975     -5.609838      8.651719
  N      -3.301551     -3.158212      5.062892
  N      -2.645751     -2.101277      5.421204
  H      -1.652169     -2.191133      5.645093
  H      -3.167464     -1.303436      5.786673
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.682471635596
  N      -2.860692     -4.060192      2.527835
  C      -2.739095     -5.022154      1.437127
  C      -2.243662     -6.334151      2.005367
  N      -3.102712     -6.697643      3.162306
  C      -4.390076     -7.298819      2.715957
  C      -5.489853     -6.861587      3.660951
  N      -5.498344     -5.401346      3.743080
  Mo     -3.610506     -4.741082      4.280007
  N      -1.946712     -5.453565      5.201556
  C      -1.353663     -6.736996      4.826800
  C      -2.392380     -7.575560      4.115541
  H      -0.988588     -7.284461      5.711367
  H      -0.462452     -6.580813      4.191205
  H      -3.135298     -7.948663      4.833577
  H      -1.946340     -8.436770      3.587162
  H      -6.448661     -7.258016      3.301078
  H      -5.331973     -7.311343      4.666929
  H      -4.611152     -6.913482      1.712468
  H      -4.293798     -8.395917      2.656304
  H      -2.033705     -4.670493      0.668190
  H      -3.716703     -5.171465      0.935385
  H      -1.218583     -6.195780      2.370199
  H      -2.248081     -7.147851      1.261056
  C      -2.757036     -2.656610      2.123042
  C      -3.900035     -2.274624      1.128538
  C      -3.876682     -0.847175      0.669515
  S      -3.735746     -0.401436     -0.912878
  C      -3.956719      0.247320      1.675285
  O      -3.956044      0.076846      2.889652
  C      -1.381329     -2.254215      1.610825
  C      -0.962096     -2.406080      0.282188
  C       0.288285     -1.936779     -0.126366
  C       1.133004     -1.280513      0.773172
  C       0.687644     -1.115056      2.078923
  F       1.479615     -0.439967      2.960474
  C      -0.536346     -1.600114      2.518380
  C      -6.830426     -4.749315      3.833131
  C      -7.143648     -3.907089      2.543753
  C      -7.419027     -2.446000      2.756580
  S      -8.647322     -1.633451      2.001537
  C      -6.568799     -1.694352      3.694000
  O      -5.656932     -2.224899      4.332385
  C      -7.960700     -5.713081      4.178219
  C      -8.245820     -5.936341      5.532962
  C      -9.253382     -6.822712      5.917771
  C     -10.002035     -7.508673      4.960040
  C      -9.707843     -7.275195      3.621673
  F     -10.422104     -7.935356      2.668576
  C      -8.713003     -6.397357      3.211487
  C      -1.493738     -5.017023      6.520407
  C      -2.128969     -5.893890      7.638353
  C      -3.586554     -5.614053      7.820678
  S      -4.690702     -5.675180      6.554220
  C      -4.033949     -5.232335      9.161422
  O      -5.183250     -4.944663      9.494979
  C       0.030146     -4.902264      6.566979
  C       0.692785     -4.397839      5.435620
  C       2.076172     -4.223873      5.437432
  C       2.838131     -4.543219      6.563719
  C       2.164766     -5.037010      7.674219
  F       2.879656     -5.358960      8.784881
  C       0.785836     -5.222793      7.700588
  H      -2.934769     -2.044888      3.009432
  H      -4.829278     -2.462163      1.684871
  H      -3.896672     -2.917449      0.239032
  H      -3.997753      1.263220      1.218196
  H      -1.628619     -2.846874     -0.459812
  H       0.600322     -2.058016     -1.164661
  H       2.102549     -0.883892      0.472146
  H      -0.872710     -1.422268      3.540492
  H      -6.793650     -4.061717      4.683602
  H      -6.281633     -4.016749      1.865389
  H      -8.013782     -4.309320      2.013061
  H      -6.818493     -0.616703      3.804867
  H      -7.661948     -5.413395      6.292572
  H      -9.463407     -6.977341      6.977198
  H     -10.798213     -8.201087      5.233397
  H      -8.539360     -6.269043      2.142382
  H      -1.887020     -4.008096      6.700835
  H      -1.963087     -6.953712      7.382544
  H      -1.628407     -5.719394      8.602010
  H      -3.204969     -5.225545      9.916197
  H       0.111912     -4.153028      4.544431
  H       2.577307     -3.840080      4.547478
  H       3.920568     -4.419232      6.586839
  H       0.339925     -5.619522      8.611508
  N      -3.355863     -3.184695      5.056657
  N      -2.760518     -2.098355      5.437070
  H      -1.771752     -2.139570      5.691089
  H      -3.326242     -1.324950      5.788063
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.685814171276
  N      -2.860318     -4.078513      2.520520
  C      -2.733335     -5.036876      1.428733
  C      -2.242097     -6.352046      1.994016
  N      -3.101124     -6.717255      3.150382
  C      -4.391445     -7.311956      2.702985
  C      -5.493717     -6.871697      3.644703
  N      -5.490037     -5.412149      3.734765
  Mo     -3.606730     -4.766019      4.269966
  N      -1.939261     -5.473820      5.189042
  C      -1.351109     -6.757837      4.814970
  C      -2.391569     -7.594835      4.103985
  H      -0.986990     -7.307608      5.698789
  H      -0.459014     -6.603842      4.179334
  H      -3.134444     -7.966038      4.823136
  H      -1.946538     -8.456999      3.576184
  H      -6.454615     -7.257899      3.278536
  H      -5.343547     -7.327648      4.648699
  H      -4.606504     -6.925215      1.698601
  H      -4.301557     -8.409616      2.643323
  H      -2.020750     -4.686508      0.665600
  H      -3.706961     -5.182168      0.917593
  H      -1.216530     -6.219303      2.359454
  H      -2.248368     -7.161925      1.245488
  C      -2.763040     -2.672953      2.124312
  C      -3.884896     -2.293713      1.103786
  C      -3.851775     -0.868683      0.640731
  S      -3.676988     -0.430736     -0.940939
  C      -3.953197      0.232418      1.635942
  O      -3.969571      0.074750      2.851516
  C      -1.378161     -2.256242      1.646799
  C      -0.918475     -2.414705      0.332508
  C       0.336621     -1.928558     -0.042926
  C       1.142821     -1.249976      0.873348
  C       0.658418     -1.078496      2.164949
  F       1.413058     -0.383874      3.062052
  C      -0.569140     -1.580447      2.573077
  C      -6.811740     -4.740074      3.829689
  C      -7.127919     -3.909786      2.534499
  C      -7.433596     -2.449785      2.726960
  S      -8.667504     -1.676531      1.939612
  C      -6.611201     -1.661251      3.660173
  O      -5.703830     -2.163030      4.324741
  C      -7.946484     -5.690193      4.198054
  C      -8.214913     -5.897146      5.559242
  C      -9.224488     -6.770316      5.967042
  C      -9.992099     -7.459169      5.025956
  C      -9.714410     -7.241962      3.681892
  F     -10.447341     -7.904986      2.745058
  C      -8.717334     -6.376894      3.248997
  C      -1.486415     -5.027244      6.502162
  C      -2.116626     -5.898214      7.627004
  C      -3.577445     -5.634528      7.806153
  S      -4.688177     -5.711834      6.544262
  C      -4.031640     -5.257918      9.144931
  O      -5.186563     -4.988070      9.476615
  C       0.036974     -4.906493      6.541811
  C       0.688562     -4.391451      5.407790
  C       2.070648     -4.212143      5.396706
  C       2.842603     -4.538997      6.515071
  C       2.181687     -5.043256      7.627052
  F       2.908699     -5.372029      8.728220
  C       0.803222     -5.233541      7.665914
  H      -2.965030     -2.067704      3.010683
  H      -4.830391     -2.477728      1.634013
  H      -3.856889     -2.941093      0.218359
  H      -3.990798      1.244813      1.170485
  H      -1.556660     -2.872933     -0.423446
  H       0.681804     -2.054152     -1.070222
  H       2.114193     -0.840456      0.596015
  H      -0.936319     -1.395036      3.584018
  H      -6.755295     -4.041878      4.670032
  H      -6.257470     -4.009598      1.865314
  H      -7.984038     -4.333611      1.997894
  H      -6.880950     -0.585233      3.738012
  H      -7.616249     -5.372459      6.305866
  H      -9.420908     -6.912219      7.030789
  H     -10.790630     -8.141670      5.316905
  H      -8.557768     -6.260519      2.176302
  H      -1.883804     -4.018404      6.675495
  H      -1.939875     -6.959263      7.382786
  H      -1.616474     -5.707339      8.588139
  H      -3.204062     -5.236345      9.900901
  H       0.097049     -4.141061      4.525079
  H       2.562526     -3.819160      4.505619
  H       3.924890     -4.411848      6.529730
  H       0.365071     -5.639363      8.576762
  N      -3.402245     -3.204036      5.050773
  N      -2.866365     -2.094911      5.451031
  H      -1.885002     -2.092781      5.732408
  H      -3.472877     -1.345530      5.785391
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.689045076146
  N      -2.867244     -4.093707      2.509981
  C      -2.735184     -5.048968      1.416657
  C      -2.242761     -6.365673      1.978397
  N      -3.097796     -6.734576      3.136348
  C      -4.390497     -7.325319      2.689202
  C      -5.494943     -6.883882      3.628523
  N      -5.478740     -5.425924      3.728465
  Mo     -3.598765     -4.788578      4.260550
  N      -1.928204     -5.492219      5.174050
  C      -1.344347     -6.775711      4.799082
  C      -2.386197     -7.611518      4.088710
  H      -0.980890     -7.328346      5.681779
  H      -0.451393     -6.622890      4.163477
  H      -3.127684     -7.981550      4.810051
  H      -1.942411     -8.474360      3.560864
  H      -6.457412     -7.260524      3.256164
  H      -5.351696     -7.346754      4.630344
  H      -4.602497     -6.936914      1.684768
  H      -4.304292     -8.423209      2.628276
  H      -2.019134     -4.698120      0.656978
  H      -3.705832     -5.193892      0.899601
  H      -1.215840     -6.235396      2.341144
  H      -2.250969     -7.171986      1.225892
  C      -2.775108     -2.686010      2.120423
  C      -3.874040     -2.309537      1.074321
  C      -3.829143     -0.888260      0.604942
  S      -3.620616     -0.458569     -0.976039
  C      -3.948491      0.219246      1.589269
  O      -3.982304      0.072351      2.805696
  C      -1.382205     -2.257823      1.677385
  C      -0.884428     -2.420516      0.377205
  C       0.374800     -1.921135      0.033205
  C       1.146845     -1.225751      0.964709
  C       0.626374     -1.050655      2.242258
  F       1.347331     -0.342492      3.154396
  C      -0.605105     -1.566532      2.620297
  C      -6.788552     -4.733626      3.830338
  C      -7.106765     -3.914831      2.529889
  C      -7.442583     -2.457181      2.704719
  S      -8.681487     -1.721970      1.888784
  C      -6.649613     -1.634037      3.635048
  O      -5.745547     -2.103830      4.324728
  C      -7.929959     -5.666977      4.222137
  C      -8.185110     -5.857923      5.588397
  C      -9.198870     -6.715956      6.016388
  C      -9.984778     -7.405693      5.090544
  C      -9.720689     -7.204185      3.741833
  F     -10.471260     -7.867539      2.819086
  C      -8.719292     -6.353687      3.288988
  C      -1.478842     -5.036584      6.482671
  C      -2.104742     -5.904645      7.612779
  C      -3.569241     -5.658329      7.786898
  S      -4.684537     -5.754256      6.528283
  C      -4.031157     -5.286209      9.122870
  O      -5.191229     -5.033629      9.453436
  C       0.044465     -4.909499      6.522064
  C       0.690399     -4.380105      5.390640
  C       2.071499     -4.195461      5.374514
  C       2.848117     -4.532884      6.487204
  C       2.194028     -5.051033      7.595501
  F       2.926572     -5.390072      8.690685
  C       0.816304     -5.246220      7.639162
  H      -2.998944     -2.086687      3.006089
  H      -4.834301     -2.487977      1.579981
  H      -3.822798     -2.963092      0.194840
  H      -3.983539      1.228634      1.116766
  H      -1.496271     -2.891236     -0.392463
  H       0.749896     -2.049507     -0.983288
  H       2.120172     -0.806206      0.709775
  H      -0.998121     -1.374914      3.620935
  H      -6.710140     -4.025135      4.660342
  H      -6.227976     -4.003544      1.870125
  H      -7.948200     -4.358188      1.986017
  H      -6.940954     -0.561458      3.682003
  H      -7.572520     -5.333281      6.323454
  H      -9.384059     -6.845486      7.083681
  H     -10.787173     -8.076854      5.396963
  H      -8.572073     -6.248985      2.213363
  H      -1.881032     -4.028274      6.649008
  H      -1.914688     -6.965960      7.379418
  H      -1.607505     -5.697497      8.572257
  H      -3.206020     -5.247710      9.880914
  H       0.092291     -4.121241      4.514577
  H       2.557863     -3.790458      4.486006
  H       3.930129     -4.402402      6.499413
  H       0.381336     -5.663868      8.546296
  N      -3.442005     -3.221820      5.045733
  N      -2.963762     -2.095355      5.464452
  H      -1.990394     -2.055786      5.770136
  H      -3.608313     -1.371000      5.782944
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.692140868933
  N      -2.877321     -4.108341      2.499171
  C      -2.738582     -5.061723      1.405007
  C      -2.243877     -6.379427      1.964434
  N      -3.094576     -6.752892      3.124173
  C      -4.389154     -7.342064      2.677638
  C      -5.496278     -6.898699      3.613957
  N      -5.468138     -5.442459      3.723117
  Mo     -3.592043     -4.810577      4.251527
  N      -1.918038     -5.507338      5.157865
  C      -1.335829     -6.790405      4.783361
  C      -2.379049     -7.627789      4.075405
  H      -0.971620     -7.343648      5.665675
  H      -0.443070     -6.638250      4.146908
  H      -3.118344     -7.996944      4.799521
  H      -1.935436     -8.491282      3.548433
  H      -6.460022     -7.266144      3.235185
  H      -5.360522     -7.367391      4.614209
  H      -4.598872     -6.953287      1.672869
  H      -4.305264     -8.440080      2.616369
  H      -2.019927     -4.709265      0.648467
  H      -3.706327     -5.207815      0.882957
  H      -1.215767     -6.249732      2.324337
  H      -2.253128     -7.183115      1.209003
  C      -2.789564     -2.698183      2.115671
  C      -3.862176     -2.323910      1.042960
  C      -3.804810     -0.904962      0.569048
  S      -3.560545     -0.480693     -1.008966
  C      -3.944925      0.205945      1.545853
  O      -3.996452      0.063611      2.762339
  C      -1.388594     -2.258948      1.710550
  C      -0.850808     -2.424121      0.426259
  C       0.412010     -1.912617      0.115452
  C       1.149428     -1.202397      1.063512
  C       0.590708     -1.025854      2.324756
  F       1.277104     -0.306348      3.253728
  C      -0.645053     -1.554776      2.670440
  C      -6.765509     -4.730885      3.830509
  C      -7.081236     -3.924215      2.523500
  C      -7.446760     -2.471025      2.683026
  S      -8.687633     -1.770991      1.839284
  C      -6.685540     -1.615441      3.612904
  O      -5.784730     -2.049061      4.329511
  C      -7.915289     -5.644300      4.244779
  C      -8.161682     -5.816261      5.615137
  C      -9.182266     -6.656456      6.061448
  C      -9.984531     -7.347231      5.150288
  C      -9.729514     -7.164300      3.797423
  F     -10.495970     -7.828105      2.887985
  C      -8.721485     -6.331362      3.326427
  C      -1.469925     -5.042145      6.462089
  C      -2.089623     -5.906244      7.599184
  C      -3.557527     -5.677256      7.769647
  S      -4.675872     -5.794896      6.514095
  C      -4.025134     -5.307311      9.103724
  O      -5.189256     -5.072961      9.435014
  C       0.053492     -4.910419      6.498597
  C       0.692232     -4.369744      5.368282
  C       2.072690     -4.182008      5.345787
  C       2.855760     -4.528876      6.451286
  C       2.209029     -5.058722      7.557921
  F       2.947928     -5.407381      8.646362
  C       0.831916     -5.256727      7.608019
  H      -3.037088     -2.105448      2.999503
  H      -4.836549     -2.498480      1.522778
  H      -3.787429     -2.981304      0.168161
  H      -3.973294      1.213891      1.069823
  H      -1.434797     -2.905265     -0.358343
  H       0.817365     -2.042911     -0.889142
  H       2.124811     -0.773457      0.833179
  H      -1.064787     -1.358412      3.659374
  H      -6.666087     -4.011526      4.649037
  H      -6.192363     -4.000643      1.875910
  H      -7.905976     -4.385641      1.969140
  H      -7.000036     -0.548124      3.629549
  H      -7.536816     -5.291390      6.339408
  H      -9.359788     -6.771337      7.131706
  H     -10.792535     -8.004859      5.471033
  H      -8.583705     -6.240493      2.248374
  H      -1.875286     -4.033753      6.621245
  H      -1.886164     -6.967555      7.377047
  H      -1.595818     -5.682699      8.556775
  H      -3.201665     -5.252621      9.862625
  H       0.087480     -4.103315      4.498959
  H       2.552651     -3.767026      4.458416
  H       3.937624     -4.396449      6.459112
  H       0.401376     -5.684342      8.512628
  N      -3.484417     -3.241436      5.040252
  N      -3.066105     -2.099903      5.477533
  H      -2.103313     -2.023633      5.808807
  H      -3.748778     -1.402971      5.778380
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.695131036574
  N      -2.890324     -4.120587      2.487568
  C      -2.744621     -5.072865      1.393136
  C      -2.246419     -6.391163      1.950412
  N      -3.091895     -6.770251      3.112460
  C      -4.387593     -7.360290      2.667303
  C      -5.497671     -6.915338      3.600688
  N      -5.457935     -5.461346      3.718295
  Mo     -3.585902     -4.829991      4.242296
  N      -1.908388     -5.518790      5.140410
  C      -1.326313     -6.802004      4.767164
  C      -2.370835     -7.642339      4.062299
  H      -0.960719     -7.354396      5.649629
  H      -0.434387     -6.650359      4.129443
  H      -3.107256     -8.011084      4.789552
  H      -1.926783     -8.506274      3.536400
  H      -6.462433     -7.274148      3.215527
  H      -5.369488     -7.389156      4.599700
  H      -4.596258     -6.972023      1.662090
  H      -4.304187     -8.458259      2.606179
  H      -2.024626     -4.717794      0.638988
  H      -3.709972     -5.221108      0.867401
  H      -1.217126     -6.260594      2.306780
  H      -2.256289     -7.192680      1.192582
  C      -2.805894     -2.708191      2.108756
  C      -3.849814     -2.337365      1.008012
  C      -3.780413     -0.920155      0.529733
  S      -3.496880     -0.500923     -1.043253
  C      -3.944795      0.193119      1.499694
  O      -4.022903      0.052137      2.715143
  C      -1.397083     -2.259058      1.743506
  C      -0.819222     -2.425445      0.476360
  C       0.447026     -1.904127      0.199649
  C       1.150908     -1.182398      1.165009
  C       0.553852     -1.006084      2.408411
  F       1.206836     -0.279140      3.355467
  C      -0.686696     -1.545568      2.720449
  C      -6.742327     -4.730987      3.830922
  C      -7.053033     -3.935855      2.517265
  C      -7.449245     -2.489470      2.665616
  S      -8.691315     -1.821462      1.797457
  C      -6.722193     -1.605078      3.597491
  O      -5.824222     -1.999426      4.340404
  C      -7.901042     -5.622351      4.266238
  C      -8.140868     -5.774731      5.639891
  C      -9.169869     -6.595476      6.102657
  C      -9.987678     -7.286024      5.205285
  C      -9.739335     -7.122179      3.848720
  F     -10.521057     -7.785303      2.951752
  C      -8.723282     -6.308648      3.361409
  C      -1.459312     -5.045086      6.440998
  C      -2.072186     -5.904925      7.585163
  C      -3.542769     -5.692067      7.753739
  S      -4.662504     -5.832236      6.501005
  C      -4.014169     -5.322451      9.086598
  O      -5.180814     -5.102108      9.418895
  C       0.064396     -4.911114      6.474298
  C       0.697509     -4.359817      5.346166
  C       2.077681     -4.170918      5.319322
  C       2.866109     -4.528475      6.417504
  C       2.224683     -5.069915      7.521720
  F       2.968336     -5.429550      8.603609
  C       0.847902     -5.268693      7.576494
  H      -3.078923     -2.121823      2.989209
  H      -4.838024     -2.509739      1.459985
  H      -3.750243     -2.997926      0.138085
  H      -3.971313      1.199807      1.021137
  H      -1.375278     -2.914322     -0.323581
  H       0.881994     -2.035568     -0.792319
  H       2.128691     -0.745950      0.960559
  H      -1.132575     -1.345776      3.697028
  H      -6.622583     -4.001012      4.637712
  H      -6.152615     -3.997272      1.884284
  H      -7.858895     -4.414594      1.949619
  H      -7.061945     -0.545237      3.586934
  H      -7.504327     -5.250448      6.354214
  H      -9.341549     -6.695405      7.175369
  H     -10.802340     -7.928757      5.539103
  H      -8.593415     -6.231608      2.281358
  H      -1.866152     -4.036171      6.593549
  H      -1.856258     -6.965938      7.373296
  H      -1.581377     -5.665995      8.540573
  H      -3.191346     -5.249625      9.844676
  H       0.088203     -4.085004      4.482850
  H       2.552468     -3.745871      4.433831
  H       3.947915     -4.395396      6.421955
  H       0.420828     -5.705867      8.478161
  N      -3.526646     -3.260194      5.034112
  N      -3.168282     -2.106711      5.490241
  H      -2.218062     -1.995867      5.846752
  H      -3.887634     -1.438693      5.772146
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.697965227832
  N      -2.905686     -4.129953      2.476292
  C      -2.752354     -5.081955      1.382440
  C      -2.250104     -6.400249      1.938173
  N      -3.090378     -6.785510      3.102407
  C      -4.385921     -7.379084      2.659116
  C      -5.499423     -6.933150      3.589370
  N      -5.449256     -5.481739      3.714244
  Mo     -3.581962     -4.845688      4.233336
  N      -1.900407     -5.525096      5.123036
  C      -1.317222     -6.809111      4.752077
  C      -2.362626     -7.653726      4.050974
  H      -0.949603     -7.358936      5.635315
  H      -0.426752     -6.657814      4.112539
  H      -3.095634     -8.022588      4.781556
  H      -1.917333     -8.517797      3.526357
  H      -6.464743     -7.284088      3.197670
  H      -5.379007     -7.411478      4.587364
  H      -4.594367     -6.992642      1.653096
  H      -4.300980     -8.476892      2.599175
  H      -2.031290     -4.723774      0.630600
  H      -3.715390     -5.232977      0.853296
  H      -1.219924     -6.267550      2.291313
  H      -2.259597     -7.200136      1.178563
  C      -2.822469     -2.715806      2.101363
  C      -3.837036     -2.348331      0.973288
  C      -3.755877     -0.931937      0.492724
  S      -3.432625     -0.515790     -1.073064
  C      -3.947761      0.181676      1.457338
  O      -4.046939      0.039484      2.671217
  C      -1.406142     -2.259582      1.775943
  C      -0.790035     -2.427910      0.526844
  C       0.480232     -1.900682      0.284197
  C       1.152867     -1.170840      1.266629
  C       0.519007     -0.994398      2.491237
  F       1.140886     -0.262833      3.455969
  C      -0.727088     -1.540257      2.769575
  C      -6.721130     -4.733646      3.830814
  C      -7.025245     -3.947839      2.511232
  C      -7.455224     -2.511089      2.653523
  S      -8.699204     -1.872760      1.764874
  C      -6.764346     -1.601870      3.589545
  O      -5.868583     -1.956027      4.356014
  C      -7.888433     -5.603296      4.283931
  C      -8.123268     -5.737506      5.660117
  C      -9.160868     -6.539374      6.136719
  C      -9.992448     -7.228626      5.251290
  C      -9.748988     -7.082446      3.891659
  F     -10.544499     -7.744105      3.005761
  C      -8.724863     -6.287886      3.390610
  C      -1.447508     -5.043360      6.420147
  C      -2.053475     -5.896906      7.572442
  C      -3.526043     -5.698380      7.740813
  S      -4.645564     -5.863074      6.491071
  C      -3.999690     -5.325348      9.072314
  O      -5.168500     -5.120611      9.406329
  C       0.076520     -4.909904      6.448156
  C       0.704717     -4.350141      5.321836
  C       2.085090     -4.163456      5.290279
  C       2.878679     -4.532390      6.380718
  C       2.241603     -5.083396      7.483139
  F       2.989789     -5.454670      8.557906
  C       0.864747     -5.279899      7.542907
  H      -3.121454     -2.135155      2.977045
  H      -4.838205     -2.519831      1.396922
  H      -3.713493     -3.010785      0.107834
  H      -3.961356      1.188622      0.979123
  H      -1.319510     -2.922409     -0.287653
  H       0.943633     -2.033720     -0.694568
  H       2.133653     -0.729840      1.088279
  H      -1.198487     -1.337714      3.733317
  H      -6.582908     -3.994347      4.626534
  H      -6.111627     -3.989171      1.895866
  H      -7.808750     -4.444140      1.927127
  H      -7.131316     -0.551543      3.556690
  H      -7.476151     -5.214579      6.365781
  H      -9.328108     -6.625640      7.211325
  H     -10.813744     -7.856846      5.596244
  H      -8.601362     -6.223190      2.309055
  H      -1.853742     -4.033090      6.565758
  H      -1.826544     -6.957812      7.371450
  H      -1.564728     -5.642434      8.524892
  H      -3.177271     -5.238326      9.829282
  H       0.091977     -4.066175      4.464187
  H       2.555442     -3.730135      4.406307
  H       3.960667     -4.400949      6.381215
  H       0.441181     -5.725123      8.442248
  N      -3.568739     -3.276267      5.027481
  N      -3.268294     -2.113910      5.501741
  H      -2.332278     -1.970999      5.883077
  H      -4.021596     -1.474698      5.762418
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.700601922566
  N      -2.920733     -4.138188      2.465596
  C      -2.759198     -5.090395      1.372832
  C      -2.253652     -6.408364      1.928102
  N      -3.089895     -6.799589      3.093779
  C      -4.384012     -7.398789      2.652504
  C      -5.501267     -6.952189      3.579396
  N      -5.442409     -5.503116      3.709803
  Mo     -3.581088     -4.859278      4.223684
  N      -1.894759     -5.527449      5.105964
  C      -1.309864     -6.812910      4.738959
  C      -2.355359     -7.662796      4.041963
  H      -0.940189     -7.358472      5.623868
  H      -0.421004     -6.662174      4.097411
  H      -3.084987     -8.032037      4.775651
  H      -1.907886     -8.526858      3.519191
  H      -6.466704     -7.296017      3.181191
  H      -5.388632     -7.434289      4.576519
  H      -4.592554     -7.015887      1.645061
  H      -4.296084     -8.496421      2.595401
  H      -2.036099     -4.729576      0.624027
  H      -3.719578     -5.243835      0.839515
  H      -1.223151     -6.272968      2.279336
  H      -2.261551     -7.207159      1.167313
  C      -2.835316     -2.722159      2.096594
  C      -3.822107     -2.353118      0.945771
  C      -3.728226     -0.935798      0.468403
  S      -3.366691     -0.517733     -1.087714
  C      -3.944012      0.174905      1.431843
  O      -4.082126      0.026092      2.641058
  C      -1.411920     -2.262315      1.809391
  C      -0.760929     -2.433520      0.578564
  C       0.514434     -1.904795      0.369638
  C       1.158730     -1.170666      1.368637
  C       0.490613     -0.992699      2.574260
  F       1.084153     -0.258110      3.554978
  C      -0.761826     -1.540272      2.819436
  C      -6.702847     -4.738386      3.827966
  C      -7.000070     -3.960270      2.502896
  C      -7.467397     -2.535586      2.641421
  S      -8.715430     -1.927711      1.735528
  C      -6.813779     -1.604173      3.582133
  O      -5.919862     -1.920053      4.368382
  C      -7.877776     -5.587794      4.296577
  C      -8.107048     -5.705118      5.675110
  C      -9.151955     -6.489542      6.164808
  C      -9.996253     -7.177441      5.290663
  C      -9.758136     -7.047631      3.928245
  F     -10.566697     -7.708047      3.053345
  C      -8.727216     -6.270666      3.414170
  C      -1.435961     -5.036463      6.398649
  C      -2.035276     -5.880666      7.560732
  C      -3.509593     -5.695242      7.729744
  S      -4.627907     -5.887526      6.483729
  C      -3.984718     -5.314188      9.059026
  O      -5.154652     -5.116583      9.392333
  C       0.088299     -4.905835      6.418425
  C       0.711518     -4.341399      5.292012
  C       2.092569     -4.161074      5.253416
  C       2.891715     -4.540878      6.335836
  C       2.259023     -5.097228      7.438513
  F       3.012437     -5.479471      8.505511
  C       0.881680     -5.287946      7.505312
  H      -3.158313     -2.147458      2.967495
  H      -4.834203     -2.523176      1.344212
  H      -3.679859     -3.014542      0.082347
  H      -3.961429      1.182644      0.955546
  H      -1.266311     -2.931454     -0.249200
  H       1.004794     -2.039904     -0.595601
  H       2.143169     -0.728258      1.216043
  H      -1.258892     -1.335559      3.769590
  H      -6.548064     -3.991005      4.613241
  H      -6.072364     -3.976624      1.907816
  H      -7.757422     -4.475571      1.900610
  H      -7.209083     -0.564844      3.532039
  H      -7.449692     -5.183602      6.372255
  H      -9.314434     -6.563356      7.241077
  H     -10.823130     -7.792296      5.646163
  H      -8.609975     -6.216974      2.331393
  H      -1.840041     -4.023788      6.535945
  H      -1.798448     -6.941876      7.372666
  H      -1.547856     -5.609400      8.509286
  H      -3.161352     -5.205416      9.812070
  H       0.095611     -4.048468      4.439776
  H       2.558945     -3.723456      4.369390
  H       3.974202     -4.414007      6.330483
  H       0.462267     -5.738455      8.403931
  N      -3.610679     -3.290809      5.019555
  N      -3.364990     -2.122779      5.510421
  H      -2.445094     -1.950228      5.917207
  H      -4.148927     -1.510823      5.746526
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.703121774887
  N      -2.937785     -4.143407      2.456505
  C      -2.768443     -5.095812      1.364983
  C      -2.259165     -6.412891      1.920018
  N      -3.091426     -6.810114      3.086982
  C      -4.382964     -7.416764      2.648255
  C      -5.503810     -6.970853      3.572385
  N      -5.437888     -5.524087      3.707365
  Mo     -3.583246     -4.869201      4.215326
  N      -1.890834     -5.525472      5.090111
  C      -1.304588     -6.812521      4.727433
  C      -2.349696     -7.667735      4.034853
  H      -0.932787     -7.353253      5.614317
  H      -0.417395     -6.662467      4.083650
  H      -3.075588     -8.037772      4.771765
  H      -1.899824     -8.531486      3.513606
  H      -6.469109     -7.308491      3.168081
  H      -5.398170     -7.456575      4.568419
  H      -4.592582     -7.038440      1.639194
  H      -4.290442     -8.514139      2.594782
  H      -2.043372     -4.732755      0.619049
  H      -3.726229     -5.251673      0.827619
  H      -1.228557     -6.274194      2.269648
  H      -2.264796     -7.210748      1.158213
  C      -2.847324     -2.725987      2.093523
  C      -3.806252     -2.353905      0.921208
  C      -3.696269     -0.936176      0.447823
  S      -3.297560     -0.517046     -1.098194
  C      -3.933917      0.172180      1.409197
  O      -4.087211      0.020111      2.615977
  C      -1.417285     -2.265820      1.842624
  C      -0.735094     -2.441755      0.629831
  C       0.546102     -1.915296      0.453217
  C       1.165141     -1.179449      1.467155
  C       0.466261     -0.997877      2.654449
  F       1.035073     -0.261809      3.648810
  C      -0.792885     -1.543225      2.868260
  C      -6.688286     -4.744578      3.825429
  C      -6.978968     -3.972621      2.495920
  C      -7.489257     -2.563240      2.632370
  S      -8.744301     -1.989217      1.712164
  C      -6.875091     -1.612180      3.578857
  O      -5.981651     -1.892959      4.379726
  C      -7.869478     -5.576909      4.305991
  C      -8.093699     -5.680273      5.686482
  C      -9.144382     -6.450084      6.186951
  C      -9.999167     -7.136451      5.321910
  C      -9.765872     -7.020024      3.957361
  F     -10.585484     -7.679028      3.091791
  C      -8.729487     -6.257756      3.432529
  C      -1.424628     -5.024892      6.377375
  C      -2.017536     -5.857975      7.549957
  C      -3.493206     -5.684372      7.720588
  S      -4.610843     -5.906142      6.479901
  C      -3.968715     -5.291642      9.046698
  O      -5.140111     -5.106183      9.381077
  C       0.099764     -4.899024      6.387181
  C       0.718135     -4.331519      5.259788
  C       2.100075     -4.160295      5.212348
  C       2.904792     -4.551762      6.286424
  C       2.276609     -5.111204      7.390256
  F       3.035599     -5.504788      8.448926
  C       0.898563     -5.293727      7.465577
  H      -3.193133     -2.155502      2.958397
  H      -4.828428     -2.519591      1.295912
  H      -3.648384     -3.015047      0.060223
  H      -3.923453      1.182501      0.938221
  H      -1.219312     -2.941714     -0.209366
  H       1.061562     -2.053456     -0.498436
  H       2.153712     -0.738558      1.338958
  H      -1.314176     -1.336830      3.804961
  H      -6.519514     -3.990673      4.601591
  H      -6.036723     -3.958121      1.923963
  H      -7.705634     -4.508802      1.873960
  H      -7.300558     -0.585515      3.517787
  H      -7.427576     -5.160234      6.376359
  H      -9.302682     -6.513854      7.264488
  H     -10.830485     -7.740197      5.685995
  H      -8.617501     -6.212365      2.348883
  H      -1.825245     -4.009485      6.505883
  H      -1.771856     -6.919691      7.375877
  H      -1.530229     -5.569191      8.493577
  H      -3.144517     -5.167776      9.796423
  H       0.099041     -4.028930      4.413254
  H       2.562899     -3.720476      4.327539
  H       3.987971     -4.431584      6.273973
  H       0.483489     -5.748192      8.364230
  N      -3.651263     -3.301539      5.013177
  N      -3.455569     -2.130920      5.519225
  H      -2.552564     -1.932015      5.950474
  H      -4.266118     -1.543836      5.729149
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.705572378064
  N      -2.954443     -4.147292      2.449537
  C      -2.778478     -5.100185      1.359319
  C      -2.265963     -6.416168      1.914363
  N      -3.094481     -6.818257      3.082666
  C      -4.383334     -7.432423      2.647127
  C      -5.506723     -6.987097      3.569460
  N      -5.434172     -5.542314      3.708424
  Mo     -3.586314     -4.876551      4.209251
  N      -1.886711     -5.521667      5.075520
  C      -1.300594     -6.810622      4.717351
  C      -2.345869     -7.670444      4.030121
  H      -0.926800     -7.346492      5.606313
  H      -0.415098     -6.662164      4.070925
  H      -3.067904     -8.040879      4.770565
  H      -1.894301     -8.534101      3.510144
  H      -6.472171     -7.318535      3.160010
  H      -5.407183     -7.476273      4.564201
  H      -4.594745     -7.059384      1.636367
  H      -4.286229     -8.529573      2.597969
  H      -2.051643     -4.735891      0.615717
  H      -3.734022     -5.258086      0.818545
  H      -1.235208     -6.274551      2.262370
  H      -2.269792     -7.213363      1.151828
  C      -2.857030     -2.729177      2.091919
  C      -3.786800     -2.353625      0.897578
  C      -3.660790     -0.935148      0.430517
  S      -3.219550     -0.512646     -1.102499
  C      -3.923485      0.169972      1.389435
  O      -4.120796      0.012646      2.588971
  C      -1.420460     -2.270879      1.877094
  C      -0.709030     -2.453182      0.682561
  C       0.578528     -1.932118      0.537634
  C       1.174246     -1.196345      1.565279
  C       0.446798     -1.009371      2.734437
  F       0.993590     -0.273303      3.740913
  C      -0.819363     -1.549389      2.917839
  C      -6.675596     -4.749490      3.824721
  C      -6.958588     -3.981257      2.492219
  C      -7.516833     -2.590648      2.627306
  S      -8.780650     -2.054431      1.694456
  C      -6.944001     -1.622383      3.580621
  O      -6.049641     -1.872163      4.391605
  C      -7.862989     -5.567616      4.312037
  C      -8.084276     -5.661777      5.693773
  C      -9.140581     -6.419584      6.200587
  C     -10.003543     -7.102282      5.340673
  C      -9.772989     -6.994529      3.974969
  F     -10.601362     -7.649956      3.115110
  C      -8.731068     -6.244238      3.443715
  C      -1.411632     -5.010777      6.355879
  C      -1.998181     -5.830794      7.540201
  C      -3.474928     -5.667298      7.713498
  S      -4.593669     -5.919320      6.480447
  C      -3.949125     -5.259639      9.035852
  O      -5.121005     -5.080472      9.371451
  C       0.112965     -4.891285      6.354097
  C       0.725926     -4.322354      5.224538
  C       2.108738     -4.162006      5.166171
  C       2.919491     -4.565272      6.231415
  C       2.296527     -5.125758      7.337604
  F       3.061614     -5.530572      8.387531
  C       0.917761     -5.298367      7.423334
  H      -3.225109     -2.161515      2.949478
  H      -4.818894     -2.515366      1.246820
  H      -3.612101     -3.013784      0.039079
  H      -3.907622      1.181631      0.921323
  H      -1.173810     -2.954108     -0.166933
  H       1.117992     -2.074417     -0.400040
  H       2.167373     -0.759382      1.461007
  H      -1.363629     -1.341917      3.841062
  H      -6.495682     -3.991146      4.593900
  H      -6.001855     -3.930799      1.946595
  H      -7.649962     -4.538893      1.848979
  H      -7.401064     -0.609800      3.514594
  H      -7.411074     -5.144822      6.379078
  H      -9.296530     -6.477085      7.278814
  H     -10.839231     -7.696924      5.709746
  H      -8.622128     -6.203183      2.359635
  H      -1.807315     -3.992312      6.474903
  H      -1.744827     -6.893235      7.381392
  H      -1.509816     -5.524030      8.477808
  H      -3.122827     -5.117084      9.779865
  H       0.103123     -4.009819      4.384318
  H       2.567819     -3.721674      4.279654
  H       4.003415     -4.453228      6.210357
  H       0.507419     -5.755385      8.322892
  N      -3.688273     -3.309650      5.009595
  N      -3.538753     -2.139216      5.529774
  H      -2.653340     -1.916618      5.984803
  H      -4.372128     -1.574437      5.712608
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.707906853076
  N      -2.971898     -4.149868      2.443062
  C      -2.791292     -5.103923      1.354384
  C      -2.275077     -6.418419      1.909850
  N      -3.099270     -6.823791      3.080363
  C      -4.385572     -7.445639      2.649327
  C      -5.509799     -7.000846      3.571505
  N      -5.431790     -5.557520      3.713762
  Mo     -3.590138     -4.880783      4.204871
  N      -1.882115     -5.515692      5.061271
  C      -1.297686     -6.806934      4.708260
  C      -2.343939     -7.670626      4.027392
  H      -0.922373     -7.338049      5.599497
  H      -0.413609     -6.661443      4.059162
  H      -3.061982     -8.040699      4.771860
  H      -1.891739     -8.534690      3.508573
  H      -6.475813     -7.326729      3.158783
  H      -5.414352     -7.493023      4.564832
  H      -4.600210     -7.078774      1.636897
  H      -4.283742     -8.542565      2.605224
  H      -2.063821     -4.739286      0.611705
  H      -3.745431     -5.264119      0.811827
  H      -1.243844     -6.274050      2.255257
  H      -2.278111     -7.215519      1.147164
  C      -2.865571     -2.731311      2.089724
  C      -3.766986     -2.350645      0.874926
  C      -3.623759     -0.931247      0.416531
  S      -3.139991     -0.503046     -1.101930
  C      -3.911643      0.169516      1.373273
  O      -4.145660      0.006461      2.565395
  C      -1.422906     -2.277113      1.908860
  C      -0.684266     -2.466953      0.732334
  C       0.610047     -1.954505      0.618034
  C       1.185037     -1.220846      1.658421
  C       0.431174     -1.026842      2.809727
  F       0.958753     -0.292735      3.827447
  C      -0.842398     -1.558314      2.963619
  C      -6.666190     -4.754489      3.827472
  C      -6.940310     -3.987581      2.493652
  C      -7.551558     -2.620179      2.628099
  S      -8.826614     -2.126438      1.685912
  C      -7.019363     -1.636511      3.587759
  O      -6.121095     -1.858485      4.403492
  C      -7.859697     -5.561898      4.316040
  C      -8.079657     -5.654115      5.698249
  C      -9.141399     -6.403418      6.206158
  C     -10.010822     -7.078713      5.346678
  C      -9.781458     -6.972456      3.980767
  F     -10.616758     -7.620435      3.122042
  C      -8.733986     -6.230598      3.448255
  C      -1.397601     -4.993154      6.333466
  C      -1.977428     -5.798642      7.530738
  C      -3.454781     -5.643926      7.707776
  S      -4.576638     -5.926393      6.484596
  C      -3.926027     -5.218824      9.025900
  O      -5.097447     -5.039872      9.362953
  C       0.127417     -4.881270      6.320577
  C       0.735803     -4.311951      5.188832
  C       2.119475     -4.163794      5.119569
  C       2.935335     -4.579376      6.176329
  C       2.316835     -5.139630      7.284924
  F       3.086992     -5.556148      8.326613
  C       0.937328     -5.300889      7.380961
  H      -3.253297     -2.165042      2.939779
  H      -4.808432     -2.507406      1.199330
  H      -3.576691     -3.009487      0.018876
  H      -3.875395      1.183909      0.912107
  H      -1.131404     -2.967574     -0.126610
  H       1.171860     -2.101973     -0.305638
  H       2.183172     -0.790306      1.577600
  H      -1.407629     -1.350011      3.873839
  H      -6.478830     -3.993921      4.592519
  H      -5.970026     -3.895926      1.977827
  H      -7.590981     -4.567003      1.827493
  H      -7.509755     -0.639715      3.522982
  H      -7.400644     -5.143176      6.382380
  H      -9.296407     -6.460396      7.284536
  H     -10.850784     -7.666845      5.716535
  H      -8.626366     -6.188162      2.364145
  H      -1.787915     -3.971238      6.442271
  H      -1.717062     -6.861801      7.388020
  H      -1.486991     -5.473588      8.461287
  H      -3.096647     -5.053623      9.761749
  H       0.109640     -3.989075      4.355123
  H       2.575616     -3.723888      4.231323
  H       4.020004     -4.476653      6.146725
  H       0.530650     -5.759543      8.281399
  N      -3.720787     -3.314817      5.007268
  N      -3.613904     -2.146447      5.540125
  H      -2.745949     -1.902833      6.017434
  H      -4.466411     -1.601055      5.695271
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.710177493516
  N      -2.988645     -4.150927      2.437800
  C      -2.804911     -5.106822      1.351006
  C      -2.284659     -6.419567      1.907608
  N      -3.104081     -6.826689      3.081176
  C      -4.388145     -7.456205      2.655730
  C      -5.511953     -7.011553      3.578791
  N      -5.429662     -5.569114      3.723306
  Mo     -3.593395     -4.881617      4.202785
  N      -1.876382     -5.507168      5.048536
  C      -1.294574     -6.801048      4.701734
  C      -2.342452     -7.668203      4.028052
  H      -0.918353     -7.327289      5.595624
  H      -0.411553     -6.659857      4.050157
  H      -3.056632     -8.036905      4.776880
  H      -1.890519     -8.533324      3.510690
  H      -6.478884     -7.332574      3.164343
  H      -5.419042     -7.505808      4.570967
  H      -4.607044     -7.096297      1.641630
  H      -4.281643     -8.552894      2.617390
  H      -2.077741     -4.742332      0.608092
  H      -3.758399     -5.269661      0.808122
  H      -1.252680     -6.272529      2.249582
  H      -2.287800     -7.217262      1.145493
  C      -2.872914     -2.732180      2.087756
  C      -3.749169     -2.345791      0.856209
  C      -3.589226     -0.925536      0.407003
  S      -3.065478     -0.491113     -1.096516
  C      -3.899916      0.170721      1.361656
  O      -4.175596      0.001157      2.544016
  C      -1.425209     -2.283472      1.937336
  C      -0.661731     -2.481094      0.778060
  C       0.639209     -1.979589      0.692842
  C       1.196333     -1.250031      1.745488
  C       0.418294     -1.048373      2.879457
  F       0.929317     -0.318678      3.908409
  C      -0.862910     -1.568637      3.004714
  C      -6.659011     -4.759061      3.832219
  C      -6.920573     -3.993232      2.496790
  C      -7.588249     -2.653211      2.628002
  S      -8.874532     -2.206438      1.677346
  C      -7.097450     -1.655341      3.594056
  O      -6.193571     -1.850721      4.411393
  C      -7.859107     -5.557838      4.317437
  C      -8.080485     -5.652364      5.699331
  C      -9.148607     -6.394674      6.203918
  C     -10.022806     -7.059832      5.341163
  C      -9.791887     -6.950939      3.975822
  F     -10.632408     -7.588441      3.114465
  C      -8.737770     -6.216102      3.446394
  C      -1.381833     -4.972471      6.311758
  C      -1.955031     -5.762276      7.522691
  C      -3.432539     -5.614509      7.704215
  S      -4.558876     -5.927076      6.492596
  C      -3.899533     -5.170201      9.017768
  O      -5.070527     -5.001222      9.361043
  C       0.143865     -4.870452      6.287717
  C       0.747687     -4.301857      5.153448
  C       2.132131     -4.167544      5.072338
  C       2.953022     -4.596640      6.119901
  C       2.338903     -5.155858      7.231301
  F       3.113851     -5.585451      8.264239
  C       0.958700     -5.303720      7.338725
  H      -3.276827     -2.166396      2.930881
  H      -4.798375     -2.496932      1.159614
  H      -3.546101     -3.003458      0.002333
  H      -3.847008      1.187696      0.907770
  H      -1.093029     -2.980173     -0.089777
  H       1.221174     -2.132736     -0.217335
  H       2.199689     -0.827964      1.687567
  H      -1.447088     -1.359551      3.902630
  H      -6.468473     -3.997050      4.595095
  H      -5.937416     -3.857063      2.016298
  H      -7.524173     -4.594643      1.806136
  H      -7.622387     -0.676206      3.534180
  H      -7.397191     -5.149242      6.385137
  H      -9.305062     -6.454342      7.281934
  H     -10.867852     -7.642370      5.708336
  H      -8.629145     -6.168977      2.362656
  H      -1.765415     -3.946718      6.410080
  H      -1.688642     -6.826122      7.396058
  H      -1.461891     -5.419511      8.445575
  H      -3.067354     -4.994808      9.748095
  H       0.117849     -3.968062      4.327037
  H       2.585188     -3.728410      4.182107
  H       4.038388     -4.504759      6.080926
  H       0.555299     -5.763354      8.240150
  N      -3.748428     -3.316651      5.006266
  N      -3.681946     -2.151603      5.550513
  H      -2.831383     -1.888947      6.048401
  H      -4.550403     -1.623261      5.678029
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.712400093781
  N      -3.004768     -4.151260      2.432828
  C      -2.818609     -5.109055      1.347939
  C      -2.294288     -6.420071      1.905784
  N      -3.108820     -6.828165      3.082673
  C      -4.391223     -7.464647      2.663382
  C      -5.513558     -7.020308      3.588567
  N      -5.427838     -5.578468      3.735338
  Mo     -3.595883     -4.880938      4.201709
  N      -1.869967     -5.498497      5.035712
  C      -1.291223     -6.795035      4.695368
  C      -2.341372     -7.665026      4.029113
  H      -0.914501     -7.316758      5.591878
  H      -0.409015     -6.658835      4.041536
  H      -3.051807     -8.031706      4.782468
  H      -1.890634     -8.531568      3.513042
  H      -6.481845     -7.336794      3.173733
  H      -5.421677     -7.516382      4.579582
  H      -4.615176     -7.111330      1.647986
  H      -4.280355     -8.561067      2.630421
  H      -2.092342     -4.744698      0.604142
  H      -3.771881     -5.274663      0.805560
  H      -1.261441     -6.270661      2.244064
  H      -2.298094     -7.218534      1.144435
  C      -2.879670     -2.732619      2.085412
  C      -3.729938     -2.340976      0.837236
  C      -3.554076     -0.919796      0.398325
  S      -2.987718     -0.478124     -1.087887
  C      -3.891567      0.171032      1.349648
  O      -4.208693     -0.006132      2.520656
  C      -1.427638     -2.289951      1.965361
  C      -0.639668     -2.494594      0.823645
  C       0.667337     -2.005004      0.768017
  C       1.207156     -1.281033      1.833489
  C       0.405423     -1.072373      2.949668
  F       0.900219     -0.349504      3.991016
  C      -0.883193     -1.580358      3.045257
  C      -6.653409     -4.764062      3.839354
  C      -6.899921     -3.997945      2.502861
  C      -7.625384     -2.689031      2.629055
  S      -8.922059     -2.291707      1.671153
  C      -7.176891     -1.679280      3.602735
  O      -6.266264     -1.848894      4.419085
  C      -7.860048     -5.555775      4.318450
  C      -8.082871     -5.657086      5.699627
  C      -9.157901     -6.393076      6.198526
  C     -10.037572     -7.044266      5.330527
  C      -9.805061     -6.928352      3.966084
  F     -10.651541     -7.551203      3.099997
  C      -8.743659     -6.199979      3.442047
  C      -1.365587     -4.951520      6.289552
  C      -1.932395     -5.725287      7.514326
  C      -3.409663     -5.583440      7.700776
  S      -4.541206     -5.925450      6.501741
  C      -3.871894     -5.118967      9.009253
  O      -5.041157     -4.940930      9.353646
  C       0.160834     -4.860180      6.254652
  C       0.759488     -4.293017      5.117273
  C       2.144334     -4.172351      5.023406
  C       2.970587     -4.614494      6.061383
  C       2.361398     -5.172260      7.176173
  F       3.141414     -5.614640      8.200039
  C       0.980808     -5.306618      7.296054
  H      -3.299124     -2.166900      2.921340
  H      -4.786186     -2.487359      1.118628
  H      -3.512210     -2.997334     -0.013936
  H      -3.815883      1.191235      0.906418
  H      -1.055217     -2.990953     -0.053404
  H       1.268648     -2.163545     -0.128546
  H       2.215557     -0.868472      1.799286
  H      -1.485153     -1.371083      3.931322
  H      -6.462213     -4.001765      4.601976
  H      -5.905746     -3.815367      2.062192
  H      -7.451773     -4.619756      1.787255
  H      -7.737208     -0.719712      3.550897
  H      -7.395067     -5.164425      6.388721
  H      -9.315963     -6.458793      7.275953
  H     -10.888277     -7.621391      5.693186
  H      -8.634377     -6.144408      2.358862
  H      -1.741946     -3.921967      6.377138
  H      -1.660599     -6.789597      7.403100
  H      -1.436251     -5.365561      8.429230
  H      -3.035996     -4.915613      9.728076
  H       0.125207     -3.949151      4.298578
  H       2.593430     -3.734057      4.130704
  H       4.056426     -4.533467      6.012375
  H       0.580795     -5.766613      8.198800
  N      -3.772695     -3.317766      5.006619
  N      -3.746105     -2.157427      5.562324
  H      -2.912892     -1.877563      6.079719
  H      -4.628004     -1.644828      5.662997
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.714528072539
  N      -3.019536     -4.153044      2.426472
  C      -2.831420     -5.113770      1.344342
  C      -2.303255     -6.422819      1.904503
  N      -3.112837     -6.830344      3.085187
  C      -4.394694     -7.472369      2.672820
  C      -5.514672     -7.027304      3.600818
  N      -5.425443     -5.585929      3.749256
  Mo     -3.596000     -4.879825      4.200508
  N      -1.862029     -5.490845      5.021933
  C      -1.286816     -6.790563      4.689370
  C      -2.340239     -7.662931      4.031310
  H      -0.910143     -7.307423      5.588878
  H      -0.405218     -6.660702      4.033439
  H      -3.047122     -8.026152      4.789643
  H      -1.891861     -8.531754      3.517025
  H      -6.484932     -7.339329      3.187101
  H      -5.422592     -7.524479      4.590995
  H      -4.623899     -7.125235      1.656403
  H      -4.280510     -8.568581      2.645115
  H      -2.106544     -4.750150      0.598789
  H      -3.784829     -5.282607      0.803264
  H      -1.269449     -6.271225      2.238856
  H      -2.308357     -7.222715      1.144644
  C      -2.886238     -2.734991      2.080213
  C      -3.708725     -2.340605      0.814196
  C      -3.521064     -0.917901      0.386471
  S      -2.907032     -0.467115     -1.078171
  C      -3.895033      0.165606      1.331908
  O      -4.263435     -0.022114      2.486409
  C      -1.430533     -2.297522      1.991752
  C      -0.617391     -2.509055      0.868865
  C       0.694701     -2.031355      0.843904
  C       1.216324     -1.312754      1.922409
  C       0.390454     -1.097380      3.019429
  F       0.867841     -0.382416      4.074178
  C      -0.904884     -1.593106      3.083921
  C      -6.646995     -4.767528      3.849327
  C      -6.876976     -3.996988      2.513787
  C      -7.657916     -2.721393      2.636045
  S      -8.965531     -2.372848      1.675193
  C      -7.249557     -1.702364      3.617537
  O      -6.331259     -1.845873      4.430715
  C      -7.861065     -5.552221      4.319068
  C      -8.083745     -5.668244      5.699045
  C      -9.167017     -6.397785      6.189315
  C     -10.055313     -7.026747      5.313686
  C      -9.822868     -6.895738      3.950547
  F     -10.678634     -7.495321      3.077338
  C      -8.752848     -6.174044      3.434763
  C      -1.348272     -4.930924      6.266117
  C      -1.908777     -5.687992      7.504798
  C      -3.385563     -5.551026      7.696566
  S      -4.522537     -5.921920      6.510782
  C      -3.842842     -5.064822      8.999010
  O      -5.011074     -4.892840      9.349751
  C       0.178683     -4.849107      6.221318
  C       0.772185     -4.283078      5.080893
  C       2.157062     -4.173260      4.975702
  C       2.988319     -4.626218      6.005006
  C       2.383953     -5.183213      7.122864
  F       3.168800     -5.636200      8.138476
  C       1.003366     -5.306540      7.254129
  H      -3.322216     -2.169364      2.908057
  H      -4.771412     -2.485908      1.070299
  H      -3.471372     -2.994894     -0.033241
  H      -3.800714      1.189555      0.901258
  H      -1.016146     -3.002904     -0.017366
  H       1.315310     -2.195545     -0.038354
  H       2.229223     -0.910035      1.912850
  H      -1.523677     -1.383609      3.958257
  H      -6.455481     -4.007372      4.614156
  H      -5.874691     -3.768768      2.114726
  H      -7.375956     -4.634651      1.773453
  H      -7.844920     -0.763815      3.575536
  H      -7.389348     -5.192278      6.393452
  H      -9.325414     -6.475730      7.265882
  H     -10.912857     -7.597897      5.669631
  H      -8.645088     -6.103038      2.352361
  H      -1.717947     -3.898081      6.342375
  H      -1.632102     -6.752562      7.408379
  H      -1.409463     -5.311587      8.411392
  H      -3.004455     -4.850362      9.711759
  H       0.133452     -3.931041      4.269161
  H       2.601814     -3.734846      4.080848
  H       4.074331     -4.553845      5.947136
  H       0.606455     -5.766569      8.158237
  N      -3.793604     -3.318946      5.006574
  N      -3.808078     -2.164068      5.573323
  H      -2.992753     -1.866989      6.109325
  H      -4.701843     -1.667157      5.647295
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.716485145703
  N      -3.033921     -4.155348      2.419303
  C      -2.844818     -5.120118      1.340611
  C      -2.312808     -6.426860      1.903941
  N      -3.117086     -6.832399      3.089096
  C      -4.399435     -7.478115      2.684153
  C      -5.516175     -7.031252      3.615379
  N      -5.422935     -5.590424      3.765678
  Mo     -3.593369     -4.877317      4.199840
  N      -1.852637     -5.484348      5.008250
  C      -1.282289     -6.788067      4.684442
  C      -2.340126     -7.661509      4.034828
  H      -0.906654     -7.299839      5.587379
  H      -0.401001     -6.666011      4.026667
  H      -3.043692     -8.019880      4.798499
  H      -1.895526     -8.533439      3.522551
  H      -6.488985     -7.338431      3.203810
  H      -5.423120     -7.529500      4.604720
  H      -4.633832     -7.136446      1.667037
  H      -4.283131     -8.574194      2.661302
  H      -2.121976     -4.757905      0.592393
  H      -3.798763     -5.292669      0.801686
  H      -1.277874     -6.273175      2.233773
  H      -2.320000     -7.228838      1.146265
  C      -2.892766     -2.738113      2.072825
  C      -3.690623     -2.344934      0.791073
  C      -3.496293     -0.920850      0.371786
  S      -2.836948     -0.462392     -1.070617
  C      -3.910206      0.155659      1.308015
  O      -4.328881     -0.042499      2.443657
  C      -1.434264     -2.305097      2.012621
  C      -0.598291     -2.524917      0.908051
  C       0.718204     -2.059576      0.911438
  C       1.223554     -1.345697      2.001296
  C       0.376042     -1.122889      3.079880
  F       0.837735     -0.416506      4.147372
  C      -0.925558     -1.605250      3.115245
  C      -6.640512     -4.768144      3.863815
  C      -6.854726     -3.985715      2.532950
  C      -7.687669     -2.745081      2.655684
  S      -9.008226     -2.442608      1.698238
  C      -7.314096     -1.719248      3.643887
  O      -6.385978     -1.836622      4.450151
  C      -7.862088     -5.548675      4.318353
  C      -8.084371     -5.691946      5.695769
  C      -9.175795     -6.419173      6.171112
  C     -10.072776     -7.017586      5.282944
  C      -9.840525     -6.858987      3.922593
  F     -10.705625     -7.426987      3.037662
  C      -8.762036     -6.139722      3.421273
  C      -1.329280     -4.912693      6.243377
  C      -1.884063     -5.652892      7.495335
  C      -3.359905     -5.518131      7.693013
  S      -4.501863     -5.916038      6.520377
  C      -3.811778     -5.009237      8.988599
  O      -4.978474     -4.831795      9.341836
  C       0.198093     -4.840144      6.190711
  C       0.789097     -4.273618      5.049376
  C       2.174181     -4.171793      4.937838
  C       3.007794     -4.634778      5.960660
  C       2.405606     -5.193322      7.078920
  F       3.192793     -5.656065      8.088363
  C       1.025034     -5.308089      7.216980
  H      -3.344120     -2.171811      2.892268
  H      -4.758298     -2.492354      1.024984
  H      -3.433468     -2.997627     -0.051658
  H      -3.798855      1.183187      0.890333
  H      -0.981564     -3.017446      0.014387
  H       1.356083     -2.230608      0.042921
  H       2.240613     -0.953752      2.014436
  H      -1.558475     -1.394836      3.979091
  H      -6.449461     -4.014203      4.635069
  H      -5.848067     -3.712317      2.175278
  H      -7.302033     -4.632664      1.767787
  H      -7.943327     -0.802688      3.614389
  H      -7.383477     -5.239228      6.399345
  H      -9.334358     -6.519151      7.245843
  H     -10.936978     -7.585765      5.627349
  H      -8.655899     -6.043504      2.340608
  H      -1.692258     -3.877042      6.308659
  H      -1.604352     -6.717834      7.412550
  H      -1.380913     -5.261254      8.393428
  H      -2.970546     -4.775274      9.691862
  H       0.148039     -3.913892      4.242955
  H       2.616574     -3.730780      4.043126
  H       4.093921     -4.568620      5.897857
  H       0.629158     -5.768769      8.121221
  N      -3.808638     -3.318287      5.006741
  N      -3.863017     -2.169619      5.583356
  H      -3.066118     -1.855013      6.136607
  H      -4.767313     -1.687961      5.629840
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.718286568189
  N      -3.047503     -4.156140      2.412938
  C      -2.857482     -5.125236      1.338092
  C      -2.321992     -6.429354      1.905123
  N      -3.121754     -6.832052      3.094353
  C      -4.405119     -7.479757      2.696441
  C      -5.517888     -7.030964      3.631419
  N      -5.421253     -5.590683      3.783950
  Mo     -3.589444     -4.872364      4.200548
  N      -1.843496     -5.477362      4.997156
  C      -1.279034     -6.785690      4.682281
  C      -2.341821     -7.658861      4.039858
  H      -0.905775     -7.292738      5.588887
  H      -0.397426     -6.672175      4.023437
  H      -3.042768     -8.011777      4.808438
  H      -1.901884     -8.534190      3.529391
  H      -6.493351     -7.333503      3.222632
  H      -5.423066     -7.530626      4.619731
  H      -4.644312     -7.142567      1.678932
  H      -4.287734     -8.575783      2.677725
  H      -2.136578     -4.764703      0.587225
  H      -3.811868     -5.301687      0.801164
  H      -1.286106     -6.273743      2.231007
  H      -2.331129     -7.233672      1.149908
  C      -2.898080     -2.739811      2.065070
  C      -3.673452     -2.350233      0.768936
  C      -3.473862     -0.925460      0.355024
  S      -2.769918     -0.462805     -1.064620
  C      -3.927254      0.146285      1.278023
  O      -4.396236     -0.059469      2.392492
  C      -1.437456     -2.311639      2.029460
  C      -0.582081     -2.540747      0.941647
  C       0.738509     -2.088538      0.970399
  C       1.230514     -1.379994      2.070097
  C       0.364752     -1.149234      3.132076
  F       0.813735     -0.452640      4.211307
  C      -0.943055     -1.616255      3.140919
  C      -6.636198     -4.766039      3.881705
  C      -6.833595     -3.966963      2.557897
  C      -7.716066     -2.762900      2.681436
  S      -9.049491     -2.506060      1.729691
  C      -7.375355     -1.731975      3.676427
  O      -6.436530     -1.823716      4.473408
  C      -7.863930     -5.546822      4.317089
  C      -8.085555     -5.725020      5.690510
  C      -9.183188     -6.454813      6.147255
  C     -10.086868     -7.020344      5.244341
  C      -9.854831     -6.826856      3.888392
  F     -10.726946     -7.361619      2.989872
  C      -8.769874     -6.104903      3.405166
  C      -1.310943     -4.894879      6.223933
  C      -1.862016     -5.617612      7.488423
  C      -3.336813     -5.482880      7.690829
  S      -4.482082     -5.907547      6.530493
  C      -3.784400     -4.950010      8.977941
  O      -4.950176     -4.770555      9.333619
  C       0.216576     -4.832874      6.163772
  C       0.805000     -4.267913      5.020632
  C       2.190009     -4.173761      4.902296
  C       3.026072     -4.644872      5.919314
  C       2.426285     -5.203717      7.038794
  F       3.216132     -5.674770      8.042352
  C       1.045820     -5.309991      7.184012
  H      -3.363473     -2.171378      2.875597
  H      -4.744785     -2.500887      0.983501
  H      -3.397335     -3.002327     -0.068067
  H      -3.799689      1.176405      0.871636
  H      -0.952442     -3.032124      0.042043
  H       1.391123     -2.266993      0.114418
  H       2.251661     -1.000102      2.103447
  H      -1.587275     -1.404269      3.995890
  H      -6.448053     -4.020589      4.662469
  H      -5.825376     -3.648074      2.246113
  H      -7.227175     -4.617785      1.766796
  H      -8.037779     -0.838801      3.661393
  H      -7.379855     -5.297116      6.405001
  H      -9.341891     -6.582486      7.219040
  H     -10.956045     -7.589436      5.574407
  H      -8.664788     -5.978224      2.327612
  H      -1.666509     -3.856045      6.277739
  H      -1.580943     -6.683148      7.419248
  H      -1.355270     -5.211711      8.378153
  H      -2.941238     -4.702057      9.674109
  H       0.161447     -3.902695      4.218928
  H       2.629594     -3.731129      4.006933
  H       4.112239     -4.584655      5.851480
  H       0.651299     -5.769960      8.089185
  N      -3.818006     -3.314871      5.008195
  N      -3.908939     -2.173347      5.593495
  H      -3.129898     -1.842986      6.162743
  H      -4.821755     -1.704979      5.612125
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.719895651914
  N      -3.060846     -4.156779      2.408456
  C      -2.869531     -5.130491      1.338039
  C      -2.329690     -6.431367      1.909064
  N      -3.124883     -6.830970      3.102320
  C      -4.409618     -7.479811      2.711671
  C      -5.517942     -7.028837      3.650689
  N      -5.418174     -5.588943      3.804972
  Mo     -3.583364     -4.866990      4.203634
  N      -1.832364     -5.470017      4.988764
  C      -1.274457     -6.783236      4.682674
  C      -2.342316     -7.655753      4.047453
  H      -0.903719     -7.285505      5.592968
  H      -0.392685     -6.678483      4.022673
  H      -3.040610     -8.003147      4.820913
  H      -1.907295     -8.534426      3.538601
  H      -6.495910     -7.327362      3.245015
  H      -5.420899     -7.529777      4.638024
  H      -4.653420     -7.146497      1.693981
  H      -4.291954     -8.575863      2.696583
  H      -2.150882     -4.771543      0.584264
  H      -3.824555     -5.311384      0.803622
  H      -1.292996     -6.273156      2.231108
  H      -2.340282     -7.238340      1.156627
  C      -2.906563     -2.741473      2.057016
  C      -3.662905     -2.359066      0.747404
  C      -3.465084     -0.932679      0.338804
  S      -2.719670     -0.462287     -1.056662
  C      -3.963118      0.131992      1.246750
  O      -4.480058     -0.083517      2.337886
  C      -1.444712     -2.316672      2.042445
  C      -0.573763     -2.554746      0.968953
  C       0.750529     -2.115620      1.019567
  C       1.232238     -1.413600      2.128032
  C       0.351918     -1.175355      3.176036
  F       0.791693     -0.490010      4.266074
  C      -0.961739     -1.625992      3.161653
  C      -6.630384     -4.761284      3.901408
  C      -6.805624     -3.943111      2.585761
  C      -7.734783     -2.776321      2.707220
  S      -9.076965     -2.564067      1.757601
  C      -7.430110     -1.742757      3.711460
  O      -6.482784     -1.808971      4.500878
  C      -7.865008     -5.542921      4.313099
  C      -8.089726     -5.758181      5.680709
  C      -9.194744     -6.490695      6.114705
  C     -10.102329     -7.021497      5.194644
  C      -9.866689     -6.791088      3.845047
  F     -10.742614     -7.291797      2.930895
  C      -8.774129     -6.065976      3.384054
  C      -1.290008     -4.878082      6.207467
  C      -1.838334     -5.584391      7.482922
  C      -3.312159     -5.448874      7.690456
  S      -4.460434     -5.899555      6.542457
  C      -3.755188     -4.892887      8.968920
  O      -4.919937     -4.708263      9.325857
  C       0.237532     -4.828514      6.140458
  C       0.825249     -4.264686      4.996625
  C       2.210258     -4.178673      4.873257
  C       3.047106     -4.659543      5.885010
  C       2.447997     -5.219282      7.004482
  F       3.238959     -5.700106      8.002541
  C       1.067455     -5.315921      7.155306
  H      -3.385443     -2.170492      2.858455
  H      -4.736539     -2.518481      0.943772
  H      -3.365882     -3.008871     -0.084052
  H      -3.823935      1.165331      0.852565
  H      -0.934081     -3.044540      0.064490
  H       1.415180     -2.300961      0.174360
  H       2.257268     -1.046343      2.178854
  H      -1.614619     -1.412364      4.009656
  H      -6.447526     -4.025138      4.693068
  H      -5.797338     -3.580153      2.327087
  H      -7.141794     -4.592624      1.767303
  H      -8.125215     -0.874711      3.710219
  H      -7.381601     -5.356087      6.407910
  H      -9.356611     -6.647587      7.182140
  H     -10.977188     -7.591779      5.507165
  H      -8.666482     -5.907057      2.311122
  H      -1.636995     -3.835738      6.250500
  H      -1.557254     -6.650618      7.425922
  H      -1.327231     -5.166168      8.364514
  H      -2.909731     -4.628933      9.656402
  H       0.180671     -3.892964      4.199033
  H       2.648316     -3.733299      3.978476
  H       4.133390     -4.605878      5.813591
  H       0.673063     -5.775359      8.060855
  N      -3.823322     -3.310960      5.012053
  N      -3.948904     -2.177079      5.604854
  H      -3.187025     -1.831972      6.188120
  H      -4.868942     -1.721376      5.596945
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.721225509082
  N      -3.072421     -4.156839      2.403584
  C      -2.877575     -5.135189      1.338104
  C      -2.334083     -6.432434      1.914366
  N      -3.126469     -6.828766      3.110515
  C      -4.412689     -7.477795      2.726253
  C      -5.516415     -7.024573      3.669610
  N      -5.413880     -5.584941      3.824897
  Mo     -3.576156     -4.860967      4.206030
  N      -1.820921     -5.461555      4.981605
  C      -1.270242     -6.780362      4.685207
  C      -2.342781     -7.651886      4.056134
  H      -0.903333     -7.277747      5.599684
  H      -0.387635     -6.685110      4.024989
  H      -3.039364     -7.993695      4.833572
  H      -1.912288     -8.533920      3.549308
  H      -6.496733     -7.319981      3.267391
  H      -5.416649     -7.526436      4.656062
  H      -4.660581     -7.147758      1.708495
  H      -4.295464     -8.573936      2.714312
  H      -2.159654     -4.777879      0.582866
  H      -3.832249     -5.320482      0.804609
  H      -1.297285     -6.270968      2.234384
  H      -2.344385     -7.242364      1.165027
  C      -2.915206     -2.742537      2.047955
  C      -3.653688     -2.367885      0.725969
  C      -3.465401     -0.937658      0.327327
  S      -2.677770     -0.449749     -1.038273
  C      -4.017876      0.113269      1.219770
  O      -4.585872     -0.119481      2.281505
  C      -1.452690     -2.321045      2.053013
  C      -0.568758     -2.567476      0.992104
  C       0.759617     -2.143865      1.063383
  C       1.233471     -1.451634      2.181275
  C       0.340688     -1.205656      3.216701
  F       0.773918     -0.533294      4.317241
  C      -0.979151     -1.637009      3.180170
  C      -6.623259     -4.754414      3.921247
  C      -6.778425     -3.915555      2.614596
  C      -7.750318     -2.785538      2.732255
  S      -9.098900     -2.616554      1.783461
  C      -7.482283     -1.750289      3.744913
  O      -6.528392     -1.789710      4.527896
  C      -7.863287     -5.537805      4.309258
  C      -8.091136     -5.790272      5.669973
  C      -9.202563     -6.526436      6.080856
  C     -10.112365     -7.023769      5.144299
  C      -9.872390     -6.757259      3.802059
  F     -10.749780     -7.226726      2.873029
  C      -8.773400     -6.027727      3.363733
  C      -1.269056     -4.860481      6.192416
  C      -1.816973     -5.549266      7.478051
  C      -3.290303     -5.412299      7.688504
  S      -4.439656     -5.891354      6.552527
  C      -3.730280     -4.830893      8.956233
  O      -4.894416     -4.641605      9.313225
  C       0.258487     -4.825615      6.119513
  C       0.847079     -4.263862      4.975315
  C       2.232159     -4.188979      4.847203
  C       3.068402     -4.681402      5.853865
  C       2.468447     -5.240893      6.973115
  F       3.259068     -5.733522      7.965668
  C       1.087656     -5.325015      7.129167
  H      -3.407338     -2.169268      2.840180
  H      -4.728132     -2.542450      0.903544
  H      -3.332317     -3.010930     -0.101620
  H      -3.872276      1.151998      0.842416
  H      -0.921357     -3.053352      0.082527
  H       1.434602     -2.335536      0.227812
  H       2.262633     -1.098946      2.248862
  H      -1.639551     -1.421314      4.021892
  H      -6.445791     -4.028324      4.724347
  H      -5.773572     -3.511652      2.407583
  H      -7.059363     -4.560311      1.771737
  H      -8.209374     -0.909112      3.756208
  H      -7.381753     -5.412689      6.409224
  H      -9.367969     -6.712379      7.143078
  H     -10.991938     -7.596254      5.439038
  H      -8.661345     -5.837797      2.296352
  H      -1.605903     -3.814290      6.223833
  H      -1.536694     -6.616285      7.434453
  H      -1.302551     -5.118931      8.351958
  H      -2.883118     -4.551433      9.635482
  H       0.202919     -3.884118      4.181338
  H       2.669824     -3.741713      3.953141
  H       4.154872     -4.636657      5.779117
  H       0.692448     -5.783509      8.034860
  N      -3.827111     -3.306594      5.015203
  N      -3.985957     -2.180603      5.614337
  H      -3.241397     -1.821969      6.211405
  H      -4.911426     -1.736085      5.578864
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.722291806372
  N      -3.081071     -4.155124      2.396702
  C      -2.880688     -5.137910      1.336265
  C      -2.334501     -6.431431      1.918567
  N      -3.126358     -6.824682      3.116025
  C      -4.414097     -7.472323      2.735897
  C      -5.513469     -7.017592      3.683749
  N      -5.408133     -5.578405      3.840959
  Mo     -3.566967     -4.853604      4.205762
  N      -1.809157     -5.453126      4.974553
  C      -1.267210     -6.778401      4.688915
  C      -2.343847     -7.647362      4.063043
  H      -0.907165     -7.271594      5.608346
  H      -0.382045     -6.693826      4.030835
  H      -3.040469     -7.983931      4.842652
  H      -1.917425     -8.532576      3.558380
  H      -6.495867     -7.310280      3.284702
  H      -5.410967     -7.521164      4.668908
  H      -4.665172     -7.143834      1.718442
  H      -4.298030     -8.568616      2.725435
  H      -2.161970     -4.782038      0.581191
  H      -3.833858     -5.327515      0.801691
  H      -1.298349     -6.266209      2.238660
  H      -2.342634     -7.244309      1.172315
  C      -2.922191     -2.741886      2.035539
  C      -3.644517     -2.377926      0.701961
  C      -3.472823     -0.942835      0.314839
  S      -2.642794     -0.430241     -1.015808
  C      -4.084897      0.089313      1.190282
  O      -4.702488     -0.165981      2.218501
  C      -1.459604     -2.322372      2.056752
  C      -0.565648     -2.575700      1.005915
  C       0.766697     -2.168259      1.095131
  C       1.235236     -1.487902      2.222426
  C       0.332654     -1.235062      3.247562
  F       0.761725     -0.576445      4.357944
  C      -0.993091     -1.645942      3.191345
  C      -6.615010     -4.745744      3.941926
  C      -6.758836     -3.883763      2.646587
  C      -7.769403     -2.790046      2.765180
  S      -9.126535     -2.662275      1.822161
  C      -7.533222     -1.753406      3.783860
  O      -6.572505     -1.763982      4.559030
  C      -7.858310     -5.532647      4.308580
  C      -8.088181     -5.821317      5.661718
  C      -9.203613     -6.563467      6.050568
  C     -10.114016     -7.030873      5.099225
  C      -9.870697     -6.729596      3.764893
  F     -10.747917     -7.171704      2.822530
  C      -8.767866     -5.993159      3.348247
  C      -1.249636     -4.844334      6.178769
  C      -1.799998     -5.514786      7.473185
  C      -3.273053     -5.374862      7.683333
  S      -4.420582     -5.883615      6.557844
  C      -3.712242     -4.765114      8.937436
  O      -4.876291     -4.568425      9.291225
  C       0.277965     -4.826475      6.104147
  C       0.872506     -4.264670      4.963294
  C       2.258311     -4.203773      4.835410
  C       3.089278     -4.712471      5.838281
  C       2.483373     -5.273310      6.953645
  F       3.268817     -5.782032      7.942169
  C       1.101798     -5.342211      7.109969
  H      -3.427012     -2.165677      2.818310
  H      -4.718122     -2.572972      0.861377
  H      -3.296121     -3.011538     -0.122033
  H      -3.937165      1.134773      0.832867
  H      -0.912838     -3.055713      0.091228
  H       1.449774     -2.365003      0.267346
  H       2.268318     -1.150226      2.305050
  H      -1.659466     -1.428121      4.027805
  H      -6.441142     -4.031483      4.757271
  H      -5.762723     -3.440850      2.483327
  H      -6.991317     -4.520497      1.783107
  H      -8.290935     -0.940184      3.808278
  H      -7.378516     -5.465551      6.411583
  H      -9.371756     -6.777692      7.107021
  H     -10.996398     -7.607491      5.377041
  H      -8.651401     -5.773948      2.287025
  H      -1.575661     -3.794224      6.197948
  H      -1.521602     -6.582732      7.443976
  H      -1.283503     -5.072758      8.340161
  H      -2.864474     -4.468808      9.608821
  H       0.232653     -3.872661      4.171952
  H       2.699939     -3.752997      3.945110
  H       4.176186     -4.678847      5.763982
  H       0.701809     -5.801325      8.013297
  N      -3.827935     -3.301197      5.016200
  N      -4.018077     -2.183237      5.621024
  H      -3.290788     -1.812265      6.231561
  H      -4.947462     -1.748977      5.556463
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.723121980809
  N      -3.082475     -4.156138      2.392869
  C      -2.874645     -5.143382      1.337776
  C      -2.328969     -6.433730      1.927158
  N      -3.124076     -6.822768      3.123568
  C      -4.414391     -7.464930      2.743856
  C      -5.510502     -7.007363      3.694448
  N      -5.400229     -5.568764      3.856421
  Mo     -3.554166     -4.848966      4.207719
  N      -1.796102     -5.450184      4.971877
  C      -1.264881     -6.782757      4.698051
  C      -2.346150     -7.647065      4.073004
  H      -0.914631     -7.272555      5.623038
  H      -0.375671     -6.710553      4.044108
  H      -3.044828     -7.977933      4.853113
  H      -1.924263     -8.535720      3.570628
  H      -6.494611     -7.295160      3.296261
  H      -5.408191     -7.514440      4.677695
  H      -4.665453     -7.135528      1.726734
  H      -4.302568     -8.561694      2.733205
  H      -2.152675     -4.789496      0.584954
  H      -3.824774     -5.336358      0.799099
  H      -1.294187     -6.265959      2.250340
  H      -2.333816     -7.249453      1.183900
  C      -2.926015     -2.745068      2.022627
  C      -3.634304     -2.399074      0.676751
  C      -3.494562     -0.958013      0.301633
  S      -2.626190     -0.408279     -0.988840
  C      -4.183138      0.044399      1.154177
  O      -4.850105     -0.244797      2.141659
  C      -1.464618     -2.322473      2.057314
  C      -0.561949     -2.580039      1.014947
  C       0.772693     -2.183768      1.118543
  C       1.235578     -1.512441      2.253406
  C       0.324687     -1.255702      3.270132
  F       0.749449     -0.608049      4.388559
  C      -1.005055     -1.651334      3.197789
  C      -6.603818     -4.732288      3.964188
  C      -6.735429     -3.840746      2.685271
  C      -7.779180     -2.780451      2.808383
  S      -9.139728     -2.682982      1.866772
  C      -7.573869     -1.747890      3.838092
  O      -6.609149     -1.733225      4.608047
  C      -7.851902     -5.522756      4.305414
  C      -8.090454     -5.844059      5.649626
  C      -9.210600     -6.592239      6.012820
  C     -10.115868     -7.033434      5.044242
  C      -9.862962     -6.700877      3.719098
  F     -10.734797     -7.118480      2.760805
  C      -8.755520     -5.957568      3.327745
  C      -1.230442     -4.833422      6.169798
  C      -1.784304     -5.484593      7.472734
  C      -3.257354     -5.341175      7.680205
  S      -4.402039     -5.879173      6.564681
  C      -3.697182     -4.701506      8.918486
  O      -4.861515     -4.497064      9.267544
  C       0.296835     -4.830914      6.093060
  C       0.894201     -4.266487      4.955438
  C       2.280062     -4.217601      4.824725
  C       3.108322     -4.742996      5.821198
  C       2.499417     -5.307608      6.933162
  F       3.282122     -5.832776      7.915245
  C       1.117573     -5.363448      7.092623
  H      -3.444465     -2.165737      2.794724
  H      -4.704323     -2.625341      0.816973
  H      -3.251898     -3.019039     -0.142566
  H      -4.047410      1.098713      0.818724
  H      -0.903739     -3.055656      0.096037
  H       1.462502     -2.383502      0.297093
  H       2.271026     -1.185518      2.348614
  H      -1.676506     -1.432676      4.029961
  H      -6.433463     -4.034105      4.794670
  H      -5.750136     -3.361729      2.567255
  H      -6.921851     -4.462431      1.800005
  H      -8.359348     -0.962051      3.876214
  H      -7.384817     -5.507468      6.412122
  H      -9.386468     -6.831930      7.062528
  H     -11.001607     -7.614134      5.302223
  H      -8.630041     -5.712130      2.273373
  H      -1.546549     -3.779924      6.175933
  H      -1.507752     -6.553276      7.459231
  H      -1.266920     -5.030259      8.332934
  H      -2.849572     -4.388781      9.582699
  H       0.256390     -3.861739      4.168971
  H       2.723209     -3.761592      3.937812
  H       4.195359     -4.719020      5.744969
  H       0.715142     -5.825097      7.993595
  N      -3.823528     -3.299110      5.020061
  N      -4.043567     -2.189537      5.630413
  H      -3.332807     -1.807248      6.253201
  H      -4.976288     -1.765735      5.539006
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.723741406845
  N      -3.081398     -4.154060      2.384105
  C      -2.862625     -5.144968      1.334113
  C      -2.319819     -6.432865      1.931779
  N      -3.121574     -6.818152      3.124778
  C      -4.414299     -7.453001      2.742353
  C      -5.507333     -6.995405      3.696457
  N      -5.395012     -5.557150      3.865061
  Mo     -3.543276     -4.843038      4.203374
  N      -1.786274     -5.446975      4.966238
  C      -1.266863     -6.787341      4.706496
  C      -2.351428     -7.645587      4.077952
  H      -0.930774     -7.274196      5.638263
  H      -0.371049     -6.728887      4.060440
  H      -3.054582     -7.971636      4.855908
  H      -1.932855     -8.537149      3.577997
  H      -6.492661     -7.279922      3.299331
  H      -5.403758     -7.506996      4.677087
  H      -4.664187     -7.119425      1.726369
  H      -4.307275     -8.550239      2.728524
  H      -2.134153     -4.792511      0.586871
  H      -3.807378     -5.340435      0.787001
  H      -1.287554     -6.262516      2.261527
  H      -2.318886     -7.251243      1.191353
  C      -2.926183     -2.743865      2.006566
  C      -3.623538     -2.410070      0.651599
  C      -3.507562     -0.964562      0.286646
  S      -2.595794     -0.383933     -0.959261
  C      -4.262459      0.013376      1.111127
  O      -4.980546     -0.303099      2.053085
  C      -1.465106     -2.320934      2.050808
  C      -0.555713     -2.580962      1.014956
  C       0.781466     -2.196970      1.131712
  C       1.240545     -1.536600      2.274553
  C       0.322899     -1.276897      3.284448
  F       0.744295     -0.639876      4.410409
  C      -1.010589     -1.656545      3.197273
  C      -6.598417     -4.722076      3.988791
  C      -6.725659     -3.799095      2.729616
  C      -7.793447     -2.764148      2.858498
  S      -9.151640     -2.681963      1.912713
  C      -7.616532     -1.739561      3.901773
  O      -6.650371     -1.702670      4.668554
  C      -7.846870     -5.520558      4.310141
  C      -8.091298     -5.865740      5.647225
  C      -9.210807     -6.624129      5.991184
  C     -10.108235     -7.052611      5.009841
  C      -9.848308     -6.698026      3.691690
  F     -10.712051     -7.104262      2.721340
  C      -8.741654     -5.944040      3.319380
  C      -1.216365     -4.822767      6.158757
  C      -1.775946     -5.453931      7.469178
  C      -3.249215     -5.305922      7.671170
  S      -4.388934     -5.874642      6.564804
  C      -3.691814     -4.633733      8.890542
  O      -4.856975     -4.420406      9.232009
  C       0.310627     -4.836928      6.084791
  C       0.916569     -4.270241      4.953082
  C       2.303228     -4.236824      4.825245
  C       3.123215     -4.780910      5.818522
  C       2.505448     -5.348004      6.924354
  F       3.279949     -5.891249      7.903061
  C       1.122759     -5.388089      7.081113
  H      -3.452500     -2.160952      2.771166
  H      -4.689713     -2.661560      0.776264
  H      -3.213431     -3.017097     -0.163939
  H      -4.129345      1.074559      0.797143
  H      -0.893352     -3.050266      0.091361
  H       1.476500     -2.398623      0.315177
  H       2.278228     -1.220605      2.381397
  H      -1.686955     -1.436178      4.025095
  H      -6.429886     -4.042820      4.835523
  H      -5.751343     -3.292000      2.650694
  H      -6.875222     -4.402366      1.824998
  H      -8.427496     -0.981032      3.954256
  H      -7.391509     -5.538090      6.419028
  H      -9.392204     -6.882038      7.035620
  H     -10.993235     -7.640864      5.252855
  H      -8.609134     -5.681576      2.270066
  H      -1.522047     -3.766188      6.151280
  H      -1.502232     -6.523373      7.472072
  H      -1.258459     -4.987867      8.323223
  H      -2.845485     -4.303272      9.547886
  H       0.284884     -3.851893      4.168834
  H       2.753265     -3.777292      3.943728
  H       4.210612     -4.769106      5.744704
  H       0.712893     -5.851253      7.978055
  N      -3.821921     -3.296851      5.017896
  N      -4.071904     -2.196404      5.633212
  H      -3.379673     -1.804029      6.270289
  H      -5.006085     -1.781150      5.512139
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.723001864735
  N      -3.068636     -4.169334      2.387423
  C      -2.832860     -5.160060      1.339808
  C      -2.300084     -6.448074      1.944344
  N      -3.113339     -6.826879      3.129956
  C      -4.412096     -7.443936      2.738199
  C      -5.502516     -6.994287      3.697620
  N      -5.379953     -5.557082      3.890415
  Mo     -3.519864     -4.860430      4.211653
  N      -1.763539     -5.466483      4.973900
  C      -1.264526     -6.820400      4.727159
  C      -2.357550     -7.663308      4.087799
  H      -0.949590     -7.310281      5.664646
  H      -0.360325     -6.783712      4.091944
  H      -3.070124     -7.980440      4.858108
  H      -1.944116     -8.558764      3.590983
  H      -6.491264     -7.261949      3.289345
  H      -5.407380     -7.525187      4.669723
  H      -4.657162     -7.095135      1.726789
  H      -4.314666     -8.540545      2.710210
  H      -2.088585     -4.807571      0.606124
  H      -3.768285     -5.351776      0.774642
  H      -1.270719     -6.281468      2.283657
  H      -2.296493     -7.268392      1.206346
  C      -2.939179     -2.758928      2.000052
  C      -3.631231     -2.451203      0.636931
  C      -3.552927     -0.998643      0.274780
  S      -2.609020     -0.391134     -0.935321
  C      -4.383695     -0.044136      1.075621
  O      -5.149969     -0.389371      1.982706
  C      -1.477588     -2.317918      2.055173
  C      -0.547748     -2.571894      1.027168
  C       0.791115     -2.182492      1.161807
  C       1.230101     -1.523309      2.316311
  C       0.289434     -1.268938      3.317542
  F       0.689528     -0.633089      4.455543
  C      -1.045883     -1.650094      3.210496
  C      -6.578459     -4.712385      4.028050
  C      -6.691353     -3.756258      2.795995
  C      -7.780691     -2.748426      2.932492
  S      -9.129055     -2.688430      1.972863
  C      -7.636078     -1.722215      3.982530
  O      -6.672213     -1.652979      4.741023
  C      -7.836016     -5.499961      4.313059
  C      -8.105167     -5.863824      5.632306
  C      -9.235662     -6.611549      5.940803
  C     -10.117912     -7.010299      4.941676
  C      -9.832490     -6.638451      3.641344
  F     -10.681473     -7.016993      2.654858
  C      -8.715326     -5.894794      3.304258
  C      -1.185695     -4.824507      6.155218
  C      -1.745529     -5.426726      7.482132
  C      -3.223269     -5.292591      7.669263
  S      -4.359785     -5.915471      6.588534
  C      -3.673597     -4.581669      8.851037
  O      -4.840248     -4.375465      9.171123
  C       0.340218     -4.847724      6.075944
  C       0.940280     -4.286381      4.941052
  C       2.325869     -4.262270      4.803552
  C       3.150224     -4.810271      5.790120
  C       2.536638     -5.371685      6.900563
  F       3.315981     -5.918804      7.871835
  C       1.153909     -5.401867      7.066674
  H      -3.479644     -2.176638      2.759367
  H      -4.694586     -2.735463      0.748089
  H      -3.191770     -3.043333     -0.177128
  H      -4.257777      1.023329      0.773999
  H      -0.869593     -3.043540      0.094343
  H       1.502498     -2.379952      0.350797
  H       2.268084     -1.204584      2.438446
  H      -1.746225     -1.433475      4.029477
  H      -6.411300     -4.058362      4.889008
  H      -5.722977     -3.222629      2.747179
  H      -6.812077     -4.342244      1.874826
  H      -8.465741     -0.992437      4.040445
  H      -7.417554     -5.557864      6.417623
  H      -9.437328     -6.883802      6.971669
  H     -11.010857     -7.589101      5.157874
  H      -8.561877     -5.617270      2.268431
  H      -1.481321     -3.763837      6.129323
  H      -1.462157     -6.497352      7.518220
  H      -1.234441     -4.930318      8.327816
  H      -2.827733     -4.208310      9.490633
  H       0.305510     -3.862901      4.163122
  H       2.772645     -3.805615      3.919971
  H       4.237403     -4.805329      5.708604
  H       0.746765     -5.860073      7.965410
  N      -3.822143     -3.304070      5.001470
  N      -4.140112     -2.215510      5.588039
  H      -3.486847     -1.783725      6.235635
  H      -5.083997     -1.834302      5.404098
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.720511840010
  N      -3.057204     -4.178613      2.391297
  C      -2.821176     -5.164166      1.339435
  C      -2.285257     -6.449413      1.939915
  N      -3.098658     -6.824494      3.124637
  C      -4.402887     -7.432355      2.738704
  C      -5.483998     -6.985614      3.710624
  N      -5.356016     -5.551629      3.911021
  Mo     -3.488540     -4.868254      4.220143
  N      -1.738320     -5.470920      4.970238
  C      -1.248728     -6.830203      4.728631
  C      -2.342864     -7.665523      4.080859
  H      -0.946041     -7.320215      5.669107
  H      -0.339720     -6.801230      4.102808
  H      -3.055243     -7.983023      4.849629
  H      -1.935058     -8.560346      3.581073
  H      -6.474911     -7.250110      3.305779
  H      -5.384188     -7.525476      4.677608
  H      -4.655390     -7.073959      1.732162
  H      -4.310334     -8.529106      2.701202
  H      -2.078657     -4.809447      0.605799
  H      -3.755959     -5.357529      0.772614
  H      -1.255349     -6.282799      2.280090
  H      -2.281473     -7.269287      1.200496
  C      -2.938281     -2.773101      1.994321
  C      -3.647870     -2.485890      0.647052
  C      -3.625115     -1.030049      0.299272
  S      -2.700459     -0.373098     -0.871556
  C      -4.486314     -0.117336      1.074570
  O      -5.231395     -0.501463      1.938707
  C      -1.491770     -2.321464      2.033195
  C      -0.568613     -2.590637      1.007324
  C       0.769524     -2.207456      1.141784
  C       1.212512     -1.543518      2.294460
  C       0.277296     -1.267949      3.294060
  F       0.681301     -0.619461      4.425782
  C      -1.059867     -1.635328      3.183590
  C      -6.552030     -4.697359      4.050324
  C      -6.647848     -3.714596      2.831323
  C      -7.769946     -2.724224      2.960169
  S      -9.114029     -2.685025      1.969765
  C      -7.666373     -1.691165      4.038203
  O      -6.700808     -1.588625      4.815256
  C      -7.818170     -5.482988      4.306934
  C      -8.116530     -5.851370      5.622193
  C      -9.262600     -6.589922      5.909798
  C     -10.131022     -6.976275      4.891701
  C      -9.815512     -6.602456      3.594432
  F     -10.651443     -6.968088      2.589658
  C      -8.681908     -5.866783      3.278416
  C      -1.158849     -4.823861      6.149694
  C      -1.720495     -5.418371      7.478009
  C      -3.198359     -5.290473      7.669044
  S      -4.321682     -5.925581      6.600854
  C      -3.662641     -4.590273      8.863539
  O      -4.839685     -4.395905      9.207359
  C       0.365760     -4.854936      6.082979
  C       0.980533     -4.267771      4.963164
  C       2.367015     -4.253307      4.838399
  C       3.177370     -4.836298      5.824008
  C       2.549213     -5.418845      6.919716
  F       3.313055     -5.997661      7.891439
  C       1.166057     -5.440418      7.072787
  H      -3.473612     -2.187543      2.747210
  H      -4.687133     -2.810778      0.771446
  H      -3.197231     -3.060913     -0.162163
  H      -4.397773      0.961315      0.795677
  H      -0.892433     -3.069441      0.078060
  H       1.478120     -2.415429      0.332669
  H       2.250089     -1.231957      2.416577
  H      -1.772146     -1.400662      3.995912
  H      -6.393745     -4.062428      4.928922
  H      -5.688608     -3.164013      2.822048
  H      -6.731775     -4.278763      1.887773
  H      -8.537142     -0.979337      4.096158
  H      -7.441292     -5.551594      6.421956
  H      -9.488471     -6.863338      6.939038
  H     -11.036962     -7.546471      5.090910
  H      -8.505235     -5.585248      2.244204
  H      -1.453042     -3.763651      6.111366
  H      -1.436156     -6.485735      7.521741
  H      -1.208375     -4.917758      8.316471
  H      -2.820191     -4.208190      9.499371
  H       0.352859     -3.813866      4.189413
  H       2.825529     -3.777713      3.967527
  H       4.265091     -4.840068      5.752829
  H       0.747469     -5.915329      7.962011
  N      -3.803770     -3.304592      4.988286
  N      -4.204026     -2.190446      5.538489
  H      -3.579743     -1.699831      6.202833
  H      -5.187130     -1.850531      5.292364
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.716335876631
  N      -3.049468     -4.150910      2.366021
  C      -2.812838     -5.132676      1.315722
  C      -2.283637     -6.421473      1.915185
  N      -3.103886     -6.798638      3.093588
  C      -4.403372     -7.408575      2.700571
  C      -5.488775     -6.966186      3.670277
  N      -5.365038     -5.538078      3.874625
  Mo     -3.490311     -4.840093      4.193953
  N      -1.750576     -5.462510      4.957321
  C      -1.266178     -6.818997      4.714060
  C      -2.356422     -7.645854      4.052931
  H      -0.974791     -7.313940      5.652849
  H      -0.352439     -6.789181      4.098576
  H      -3.075342     -7.964507      4.816533
  H      -1.948418     -8.540575      3.552347
  H      -6.472895     -7.232868      3.265261
  H      -5.389645     -7.505124      4.634623
  H      -4.653449     -7.048271      1.694455
  H      -4.305884     -8.506241      2.660654
  H      -2.067471     -4.778905      0.588469
  H      -3.744141     -5.321124      0.744202
  H      -1.254576     -6.258811      2.260940
  H      -2.277590     -7.239114      1.173118
  C      -2.918890     -2.746996      1.977609
  C      -3.609007     -2.441386      0.622047
  C      -3.560799     -0.988026      0.292119
  S      -2.583526     -0.316064     -0.853661
  C      -4.442558     -0.088982      1.065385
  O      -5.238754     -0.487444      1.909259
  C      -1.478899     -2.309456      2.020818
  C      -0.579502     -2.559138      1.002337
  C       0.751618     -2.195364      1.129459
  C       1.214530     -1.576184      2.269539
  C       0.306442     -1.322100      3.263367
  F       0.733673     -0.718326      4.383888
  C      -1.027398     -1.665449      3.158699
  C      -6.560609     -4.694028      4.023969
  C      -6.677167     -3.709797      2.802614
  C      -7.789752     -2.723848      2.928292
  S      -9.126372     -2.672082      1.959436
  C      -7.674018     -1.709516      3.991198
  O      -6.700561     -1.606203      4.770409
  C      -7.818710     -5.505074      4.321588
  C      -8.074169     -5.856734      5.676582
  C      -9.210766     -6.620668      6.023842
  C     -10.113785     -7.051309      5.024043
  C      -9.841623     -6.694978      3.684272
  F     -10.713180     -7.104940      2.697138
  C      -8.716809     -5.932909      3.309321
  C      -1.182585     -4.826784      6.143860
  C      -1.765014     -5.421527      7.459261
  C      -3.236048     -5.278590      7.647914
  S      -4.353230     -5.901551      6.553817
  C      -3.701688     -4.576191      8.870660
  O      -4.879398     -4.368859      9.228353
  C       0.341306     -4.864735      6.099778
  C       0.976429     -4.278418      4.992452
  C       2.363207     -4.257946      4.889444
  C       3.154431     -4.836540      5.885853
  C       2.508056     -5.420595      6.967718
  F       3.253666     -5.992887      7.949508
  C       1.124377     -5.448570      7.099248
  H      -3.454143     -2.167288      2.730167
  H      -4.653483     -2.756237      0.724705
  H      -3.145853     -3.015002     -0.183126
  H      -4.339055      0.990525      0.805335
  H      -0.916278     -3.004246      0.085167
  H       1.438670     -2.385666      0.324919
  H       2.250693     -1.284694      2.387377
  H      -1.712005     -1.447249      3.965546
  H      -6.388821     -4.050337      4.906508
  H      -5.744270     -3.159590      2.788265
  H      -6.756914     -4.272710      1.878128
  H      -8.538346     -0.998230      4.053240
  H      -7.370680     -5.523012      6.461841
  H      -9.401703     -6.879626      7.084593
  H     -11.013516     -7.642470      5.268087
  H      -8.574906     -5.666451      2.243836
  H      -1.470375     -3.767996      6.107965
  H      -1.489335     -6.484503      7.494961
  H      -1.259291     -4.931619      8.299527
  H      -2.866667     -4.212088      9.527069
  H       0.364116     -3.829612      4.209722
  H       2.835283     -3.779938      4.028001
  H       4.241814     -4.835272      5.833533
  H       0.690476     -5.922209      7.980924
  N      -3.774940     -3.293492      4.983160
  N      -4.140699     -2.216610      5.538399
  H      -3.530461     -1.759733      6.186797
  H      -5.077875     -1.869147      5.312334
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.718686402229
  N      -3.059757     -4.160474      2.382487
  C      -2.824573     -5.147687      1.333095
  C      -2.306051     -6.440220      1.937414
  N      -3.128557     -6.812838      3.117724
  C      -4.431022     -7.418494      2.727678
  C      -5.514933     -6.961740      3.696174
  N      -5.384937     -5.530006      3.897287
  Mo     -3.509639     -4.844021      4.207946
  N      -1.762662     -5.467116      4.966716
  C      -1.286825     -6.822728      4.728401
  C      -2.381945     -7.656001      4.078839
  H      -0.991194     -7.309887      5.672497
  H      -0.374483     -6.795911      4.101936
  H      -3.100567     -7.973864      4.849852
  H      -1.972404     -8.553986      3.579566
  H      -6.502433     -7.224997      3.297089
  H      -5.415656     -7.494247      4.663750
  H      -4.678552     -7.062072      1.718849
  H      -4.340711     -8.519315      2.693946
  H      -2.075621     -4.797814      0.608194
  H      -3.755973     -5.332466      0.761904
  H      -1.277761     -6.277277      2.283988
  H      -2.301507     -7.260793      1.198572
  C      -2.917930     -2.752691      1.986971
  C      -3.594803     -2.448065      0.601674
  C      -3.539656     -0.995701      0.256965
  S      -2.522132     -0.337369     -0.906590
  C      -4.453411     -0.078279      1.027856
  O      -5.297934     -0.457127      1.888390
  C      -1.459162     -2.312683      2.051752
  C      -0.534052     -2.578618      1.029164
  C       0.802706     -2.196886      1.172135
  C       1.246026     -1.535625      2.329365
  C       0.315303     -1.271928      3.324047
  F       0.725713     -0.630279      4.460237
  C      -1.019891     -1.642030      3.208977
  C      -6.582299     -4.691754      4.045398
  C      -6.703092     -3.706264      2.830571
  C      -7.813612     -2.719140      2.960415
  S      -9.146402     -2.662029      2.007818
  C      -7.681327     -1.717753      3.992330
  O      -6.718365     -1.633853      4.747869
  C      -7.830634     -5.508750      4.327388
  C      -8.100485     -5.882745      5.656298
  C      -9.219964     -6.659397      5.964810
  C     -10.090714     -7.079556      4.954127
  C      -9.804082     -6.698694      3.644192
  F     -10.639981     -7.097515      2.646199
  C      -8.697413     -5.924797      3.307760
  C      -1.181619     -4.828125      6.143068
  C      -1.750638     -5.408777      7.472328
  C      -3.224824     -5.256763      7.664265
  S      -4.356492     -5.881502      6.575102
  C      -3.679850     -4.533329      8.848541
  O      -4.829382     -4.317346      9.143532
  C       0.347210     -4.868821      6.069127
  C       0.960684     -4.298473      4.945679
  C       2.347070     -4.285472      4.816967
  C       3.158772     -4.850515      5.801069
  C       2.535452     -5.418177      6.897705
  F       3.301611     -5.980071      7.868642
  C       1.153429     -5.441982      7.056323
  H      -3.462385     -2.163740      2.738038
  H      -4.655598     -2.760043      0.689734
  H      -3.118958     -3.025269     -0.209289
  H      -4.341623      0.992739      0.750715
  H      -0.857958     -3.047902      0.096641
  H       1.509349     -2.399552      0.366466
  H       2.284508     -1.222170      2.459968
  H      -1.704915     -1.418687      4.018269
  H      -6.415301     -4.055600      4.928388
  H      -5.757666     -3.146417      2.815435
  H      -6.783159     -4.277704      1.898214
  H      -8.512267     -1.012405      4.064422
  H      -7.419851     -5.560326      6.448393
  H      -9.422552     -6.939044      7.002562
  H     -10.974918     -7.681501      5.167946
  H      -8.539922     -5.641729      2.263290
  H      -1.465571     -3.768008      6.098431
  H      -1.477694     -6.473137      7.518505
  H      -1.238028     -4.911849      8.306495
  H      -2.856183     -4.171209      9.499430
  H       0.336076     -3.859616      4.170531
  H       2.802038     -3.822764      3.943510
  H       4.245534     -4.852734      5.727588
  H       0.739464     -5.904802      7.949234
  N      -3.797850     -3.298675      5.013725
  N      -4.154273     -2.190912      5.586346
  H      -3.512640     -1.727850      6.255357
  H      -5.106505     -1.823604      5.373984
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.717848174572
  N      -3.061074     -4.171262      2.388184
  C      -2.820955     -5.163973      1.341387
  C      -2.293127     -6.452744      1.949170
  N      -3.114351     -6.823792      3.132101
  C      -4.416210     -7.434680      2.742037
  C      -5.500157     -6.983576      3.710269
  N      -5.370728     -5.547952      3.910446
  Mo     -3.501214     -4.856653      4.219218
  N      -1.750591     -5.468616      4.982771
  C      -1.266209     -6.827861      4.744431
  C      -2.364159     -7.664415      4.094873
  H      -0.966748     -7.317317      5.689608
  H      -0.353080     -6.801215      4.118516
  H      -3.081220     -7.982061      4.865030
  H      -1.954111     -8.561609      3.596680
  H      -6.489693     -7.251550      3.305997
  H      -5.401701     -7.518836      4.680888
  H      -4.663800     -7.077103      1.733775
  H      -4.324425     -8.532490      2.706199
  H      -2.071777     -4.811687      0.609828
  H      -3.753898     -5.355091      0.771327
  H      -1.264589     -6.287100      2.293467
  H      -2.286910     -7.275176      1.213295
  C      -2.938092     -2.762729      1.985761
  C      -3.646660     -2.477921      0.622468
  C      -3.633567     -1.023562      0.271466
  S      -2.705348     -0.352586     -0.897789
  C      -4.514107     -0.125875      1.052960
  O      -5.249227     -0.520992      1.916044
  C      -1.474078     -2.310763      2.040945
  C      -0.529316     -2.567723      1.015759
  C       0.812589     -2.180219      1.164258
  C       1.240723     -1.521508      2.329134
  C       0.286761     -1.264583      3.324672
  F       0.677991     -0.625380      4.468126
  C      -1.049756     -1.642199      3.202761
  C      -6.563852     -4.697122      4.060255
  C      -6.670263     -3.720823      2.844937
  C      -7.784044     -2.726487      2.970911
  S      -9.127172     -2.686376      1.981517
  C      -7.676465     -1.696403      4.018989
  O      -6.725917     -1.584326      4.794643
  C      -7.821740     -5.481677      4.323605
  C      -8.123450     -5.849702      5.617542
  C      -9.250857     -6.595242      5.884697
  C     -10.094785     -6.987206      4.869625
  C      -9.775706     -6.610916      3.597897
  F     -10.586092     -6.982637      2.596091
  C      -8.663976     -5.869932      3.301633
  C      -1.167570     -4.827373      6.158944
  C      -1.730148     -5.413158      7.490186
  C      -3.209723     -5.267882      7.681016
  S      -4.348029     -5.906800      6.595100
  C      -3.656997     -4.543552      8.873629
  O      -4.831087     -4.333429      9.205733
  C       0.358437     -4.867240      6.074506
  C       0.963347     -4.295923      4.944696
  C       2.350765     -4.283799      4.801447
  C       3.171997     -4.852224      5.778545
  C       2.554766     -5.422087      6.885343
  F       3.331597     -5.986559      7.848574
  C       1.170249     -5.442897      7.055801
  H      -3.486154     -2.175052      2.738343
  H      -4.693862     -2.806906      0.742390
  H      -3.188211     -3.050339     -0.192134
  H      -4.443603      0.952325      0.776785
  H      -0.841503     -3.037760      0.075180
  H       1.534957     -2.377940      0.356592
  H       2.279715     -1.204016      2.464586
  H      -1.754254     -1.427263      4.009209
  H      -6.394122     -4.064377      4.934333
  H      -5.704158     -3.165911      2.829207
  H      -6.759349     -4.292738      1.900089
  H      -8.527216     -0.991912      4.069911
  H      -7.463368     -5.550118      6.415312
  H      -9.479756     -6.872463      6.895156
  H     -10.984353     -7.564840      5.053224
  H      -8.480932     -5.589747      2.284153
  H      -1.457542     -3.766034      6.120931
  H      -1.452328     -6.487139      7.535330
  H      -1.209002     -4.909705      8.331827
  H      -2.806399     -4.166417      9.518341
  H       0.333496     -3.856022      4.174043
  H       2.801821     -3.820838      3.921251
  H       4.260087     -4.855744      5.692582
  H       0.761630     -5.905455      7.952360
  N      -3.821637     -3.298057      5.001401
  N      -4.180623     -2.219649      5.560398
  H      -3.560874     -1.769577      6.207659
  H      -5.115719     -1.869082      5.344310
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.719022022323
  N      -3.044245     -4.159377      2.375743
  C      -2.804799     -5.141479      1.323156
  C      -2.279100     -6.431921      1.922514
  N      -3.101716     -6.808124      3.098664
  C      -4.399615     -7.417214      2.706894
  C      -5.481947     -6.969841      3.675585
  N      -5.362037     -5.536052      3.878087
  Mo     -3.493937     -4.850667      4.200515
  N      -1.749361     -5.465903      4.960774
  C      -1.262487     -6.823672      4.716855
  C      -2.352936     -7.654013      4.057950
  H      -0.968368     -7.318618      5.657904
  H      -0.348932     -6.793295      4.098088
  H      -3.069888     -7.977188      4.818981
  H      -1.940320     -8.545439      3.557127
  H      -6.468221     -7.240392      3.273291
  H      -5.380405     -7.505452      4.643174
  H      -4.648740     -7.058408      1.699754
  H      -4.305796     -8.513986      2.670302
  H      -2.058047     -4.785089      0.596648
  H      -3.736495     -5.329236      0.752926
  H      -1.252338     -6.268474      2.271238
  H      -2.270885     -7.249928      1.182483
  C      -2.914947     -2.754391      1.985077
  C      -3.614810     -2.461595      0.626718
  C      -3.590138     -1.008346      0.286494
  S      -2.639232     -0.325788     -0.862944
  C      -4.488794     -0.122755      1.056172
  O      -5.271486     -0.531413      1.892643
  C      -1.462700     -2.308610      2.035304
  C      -0.534467     -2.570110      1.011620
  C       0.803474     -2.193643      1.150604
  C       1.246785     -1.543716      2.306116
  C       0.307139     -1.275636      3.304069
  F       0.711447     -0.640149      4.437466
  C      -1.030902     -1.638020      3.188279
  C      -6.563885     -4.697606      4.027085
  C      -6.678951     -3.724175      2.801394
  C      -7.798803     -2.731288      2.914124
  S      -9.149031     -2.698351      1.908555
  C      -7.700011     -1.680546      3.985666
  O      -6.731772     -1.558297      4.790454
  C      -7.827084     -5.493574      4.325084
  C      -8.089651     -5.838174      5.667944
  C      -9.226842     -6.593712      6.004252
  C     -10.124044     -7.021164      5.006182
  C      -9.845589     -6.669978      3.678966
  F     -10.711609     -7.077228      2.692697
  C      -8.720485     -5.917656      3.314537
  C      -1.171924     -4.832644      6.147273
  C      -1.746057     -5.431853      7.466073
  C      -3.219670     -5.288400      7.652296
  S      -4.342222     -5.901611      6.570436
  C      -3.664174     -4.581769      8.837618
  O      -4.851077     -4.355650      9.207320
  C       0.352676     -4.870842      6.089065
  C       0.976641     -4.279952      4.977777
  C       2.364097     -4.265603      4.864954
  C       3.166294     -4.854031      5.853553
  C       2.528208     -5.444203      6.941248
  F       3.283345     -6.030637      7.916606
  C       1.143827     -5.464106      7.081231
  H      -3.456880     -2.170780      2.737559
  H      -4.655606     -2.786059      0.744435
  H      -3.154597     -3.028498     -0.183349
  H      -4.407131      0.959576      0.791796
  H      -0.856785     -3.037136      0.079772
  H       1.511994     -2.396459      0.342090
  H       2.284721     -1.238512      2.434362
  H      -1.743587     -1.406445      3.999297
  H      -6.394428     -4.056203      4.907642
  H      -5.731854     -3.174468      2.787992
  H      -6.762999     -4.288977      1.871528
  H      -8.584078     -0.963091      4.030705
  H      -7.389212     -5.509637      6.452661
  H      -9.422784     -6.849850      7.056120
  H     -11.023908     -7.606678      5.243208
  H      -8.572206     -5.656557      2.258085
  H      -1.459553     -3.771378      6.119173
  H      -1.471854     -6.500880      7.502246
  H      -1.234942     -4.942666      8.309114
  H      -2.803717     -4.222711      9.471902
  H       0.356325     -3.825328      4.200372
  H       2.831140     -3.785896      4.001122
  H       4.254442     -4.857593      5.791247
  H       0.716593     -5.943577      7.964235
  N      -3.807005     -3.294878      4.993769
  N      -4.198929     -2.187790      5.546944
  H      -3.582808     -1.709156      6.214480
  H      -5.166097     -1.844734      5.317524
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.717997878526
  N      -3.043032     -4.164684      2.387729
  C      -2.807518     -5.145559      1.332383
  C      -2.291500     -6.440140      1.932568
  N      -3.115490     -6.814683      3.110228
  C      -4.417744     -7.416445      2.715695
  C      -5.504072     -6.963685      3.682432
  N      -5.370716     -5.534101      3.888920
  Mo     -3.489863     -4.849671      4.208286
  N      -1.754779     -5.473292      4.967866
  C      -1.276818     -6.831517      4.726749
  C      -2.371741     -7.661036      4.071415
  H      -0.984723     -7.322613      5.670900
  H      -0.362296     -6.804407      4.104517
  H      -3.091668     -7.979140      4.837647
  H      -1.963159     -8.557398      3.571034
  H      -6.490649     -7.225067      3.276969
  H      -5.410738     -7.501249      4.648880
  H      -4.662825     -7.052249      1.709453
  H      -4.329065     -8.515944      2.674273
  H      -2.056624     -4.792700      0.610282
  H      -3.738782     -5.325657      0.757542
  H      -1.263110     -6.280568      2.281074
  H      -2.287183     -7.258373      1.191460
  C      -2.911900     -2.757534      1.997257
  C      -3.605424     -2.457115      0.637728
  C      -3.571371     -1.004135      0.295446
  S      -2.620627     -0.339778     -0.866145
  C      -4.457028     -0.089264      1.061708
  O      -5.256840     -0.471775      1.922283
  C      -1.471895     -2.317602      2.038127
  C      -0.583114     -2.574541      1.016817
  C       0.743304     -2.205606      1.134208
  C       1.209993     -1.566488      2.266880
  C       0.310850     -1.302649      3.263885
  F       0.744870     -0.676858      4.373366
  C      -1.017151     -1.659825      3.173349
  C      -6.569110     -4.686825      4.038676
  C      -6.675557     -3.695075      2.828984
  C      -7.784936     -2.718242      2.974255
  S      -9.106634     -2.654787      2.024925
  C      -7.669181     -1.722842      4.020205
  O      -6.716607     -1.631365      4.771918
  C      -7.826422     -5.492279      4.310299
  C      -8.101970     -5.854304      5.647720
  C      -9.228912     -6.626527      5.963731
  C     -10.103974     -7.055379      4.950943
  C      -9.814233     -6.686339      3.628177
  F     -10.655155     -7.094919      2.627890
  C      -8.697750     -5.915151      3.285147
  C      -1.177869     -4.831646      6.151253
  C      -1.751439     -5.421506      7.477077
  C      -3.223875     -5.271970      7.659676
  S      -4.346251     -5.897961      6.572678
  C      -3.683804     -4.551904      8.835493
  O      -4.833774     -4.339468      9.121747
  C       0.348698     -4.863230      6.089299
  C       0.972091     -4.281378      4.975187
  C       2.358549     -4.256520      4.861415
  C       3.160420     -4.825372      5.851663
  C       2.525235     -5.405929      6.939520
  F       3.279742     -5.970356      7.916894
  C       1.143148     -5.437927      7.082192
  H      -3.442265     -2.174774      2.750770
  H      -4.650361     -2.776116      0.745770
  H      -3.144030     -3.031697     -0.171374
  H      -4.369908      0.982756      0.781266
  H      -0.924941     -3.031836      0.103884
  H       1.425216     -2.405640      0.326750
  H       2.243385     -1.267977      2.376489
  H      -1.700246     -1.430859      3.983577
  H      -6.406339     -4.057165      4.925017
  H      -5.725612     -3.134667      2.813944
  H      -6.755014     -4.251602      1.889124
  H      -8.506046     -1.024004      4.092769
  H      -7.419012     -5.527183      6.440144
  H      -9.433576     -6.896383      7.008449
  H     -10.992815     -7.654435      5.170175
  H      -8.537525     -5.642160      2.234201
  H      -1.468011     -3.769767      6.111130
  H      -1.476528     -6.486818      7.520906
  H      -1.245430     -4.926122      8.316055
  H      -2.864074     -4.188946      9.485752
  H       0.353300     -3.839417      4.195419
  H       2.822818     -3.781349      3.994782
  H       4.247359     -4.819673      5.789765
  H       0.718852     -5.908379      7.969019
  N      -3.784861     -3.300413      5.000757
  N      -4.141936     -2.193788      5.562735
  H      -3.507824     -1.730683      6.224509
  H      -5.097364     -1.825697      5.342730
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.718888580304
  N      -3.056190     -4.161018      2.385919
  C      -2.816306     -5.151093      1.339304
  C      -2.296583     -6.442744      1.947497
  N      -3.123198     -6.812060      3.126917
  C      -4.426343     -7.418165      2.735136
  C      -5.509590     -6.965105      3.704906
  N      -5.378416     -5.531397      3.903761
  Mo     -3.509170     -4.845142      4.215078
  N      -1.757449     -5.463642      4.981952
  C      -1.282042     -6.822684      4.743695
  C      -2.379363     -7.654710      4.091243
  H      -0.990014     -7.314166      5.688123
  H      -0.366319     -6.800421      4.122201
  H      -3.099533     -7.971547      4.860489
  H      -1.970555     -8.552946      3.592344
  H      -6.499071     -7.231160      3.302619
  H      -5.411501     -7.500213      4.673717
  H      -4.672505     -7.058029      1.726954
  H      -4.338205     -8.518034      2.697616
  H      -2.064070     -4.801177      0.612790
  H      -3.747042     -5.336882      0.765144
  H      -1.268603     -6.280421      2.296508
  H      -2.289403     -7.264908      1.210482
  C      -2.923407     -2.753447      1.982126
  C      -3.609719     -2.458193      0.600818
  C      -3.572052     -1.003617      0.257379
  S      -2.559936     -0.333597     -0.898162
  C      -4.505963     -0.095673      1.022995
  O      -5.351914     -0.486584      1.881670
  C      -1.463010     -2.308752      2.043130
  C      -0.523928     -2.571579      1.024892
  C       0.817060     -2.187140      1.180001
  C       1.245782     -1.523887      2.343414
  C       0.298895     -1.260323      3.331417
  F       0.691583     -0.613297      4.474456
  C      -1.036475     -1.638109      3.204788
  C      -6.574553     -4.688970      4.054881
  C      -6.692203     -3.713948      2.836350
  C      -7.810578     -2.726148      2.957643
  S      -9.145131     -2.683206      1.979607
  C      -7.706637     -1.708762      4.001701
  O      -6.755215     -1.594664      4.775256
  C      -7.822337     -5.493512      4.326636
  C      -8.111736     -5.858331      5.640274
  C      -9.229262     -6.624493      5.927857
  C     -10.076518     -7.041566      4.913598
  C      -9.770421     -6.668305      3.620579
  F     -10.583630     -7.063874      2.619673
  C      -8.667076     -5.906135      3.304717
  C      -1.173238     -4.825603      6.154785
  C      -1.734861     -5.413045      7.486398
  C      -3.212936     -5.258169      7.688946
  S      -4.357915     -5.884102      6.594387
  C      -3.664370     -4.534291      8.916229
  O      -4.834781     -4.322164      9.262233
  C       0.353735     -4.872083      6.066841
  C       0.958730     -4.302428      4.935565
  C       2.346367     -4.302406      4.790314
  C       3.167272     -4.879568      5.767364
  C       2.551960     -5.442965      6.872950
  F       3.329859     -6.013345      7.835120
  C       1.167894     -5.454871      7.046659
  H      -3.474547     -2.162617      2.731454
  H      -4.668674     -2.781329      0.694103
  H      -3.129058     -3.033595     -0.210882
  H      -4.395500      0.978602      0.748576
  H      -0.835954     -3.043016      0.085705
  H       1.537948     -2.389948      0.377523
  H       2.285374     -1.207975      2.482116
  H      -1.734687     -1.420837      4.005020
  H      -6.407754     -4.052326      4.932906
  H      -5.742584     -3.157692      2.815093
  H      -6.775407     -4.289297      1.898092
  H      -8.559532     -1.006104      4.056526
  H      -7.449049     -5.540209      6.435327
  H      -9.447511     -6.898297      6.952273
  H     -10.957930     -7.635355      5.111069
  H      -8.493518     -5.629540      2.273028
  H      -1.458682     -3.764226      6.118269
  H      -1.459568     -6.485341      7.522501
  H      -1.209889     -4.917029      8.327714
  H      -2.822835     -4.161612      9.570422
  H       0.327113     -3.856135      4.164658
  H       2.796804     -3.843824      3.909598
  H       4.255345     -4.892784      5.680994
  H       0.759665     -5.915995      7.944357
  N      -3.818013     -3.294439      4.996805
  N      -4.179407     -2.204711      5.549899
  H      -3.559795     -1.750340      6.211792
  H      -5.123004     -1.852557      5.329875
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.718182330674
  N      -3.042179     -4.164938      2.374718
  C      -2.801576     -5.151202      1.324697
  C      -2.282814     -6.443560      1.928517
  N      -3.110188     -6.815188      3.104861
  C      -4.411451     -7.419971      2.711635
  C      -5.492797     -6.970417      3.681398
  N      -5.367194     -5.535185      3.885388
  Mo     -3.497490     -4.856312      4.202891
  N      -1.752858     -5.478233      4.969432
  C      -1.272771     -6.836352      4.727731
  C      -2.366120     -7.662537      4.066497
  H      -0.984100     -7.332030      5.670301
  H      -0.356816     -6.810466      4.110282
  H      -3.086914     -7.983699      4.827884
  H      -1.954786     -8.556157      3.565490
  H      -6.481228     -7.238289      3.279268
  H      -5.391747     -7.507124      4.649221
  H      -4.658495     -7.057944      1.705033
  H      -4.321976     -8.516972      2.672889
  H      -2.049649     -4.798103      0.599911
  H      -3.732601     -5.336646      0.751390
  H      -1.255887     -6.283531      2.279159
  H      -2.276043     -7.262775      1.189302
  C      -2.915030     -2.758549      1.977222
  C      -3.624666     -2.468589      0.619952
  C      -3.616672     -1.015197      0.283465
  S      -2.682599     -0.316600     -0.871375
  C      -4.507482     -0.147141      1.064392
  O      -5.231665     -0.566052      1.901383
  C      -1.450046     -2.305929      2.032933
  C      -0.490777     -2.559924      1.008347
  C       0.855624     -2.170388      1.169458
  C       1.276885     -1.513339      2.342896
  C       0.307895     -1.254027      3.335341
  F       0.687155     -0.612836      4.487529
  C      -1.032426     -1.632870      3.199858
  C      -6.563909     -4.694208      4.042202
  C      -6.686619     -3.719521      2.824246
  C      -7.798259     -2.724581      2.935492
  S      -9.143291     -2.689615      1.933419
  C      -7.697776     -1.676949      3.989288
  O      -6.739335     -1.545729      4.794859
  C      -7.823823     -5.488205      4.341025
  C      -8.094866     -5.835069      5.667670
  C      -9.225705     -6.589841      5.986304
  C     -10.105136     -7.012830      4.987503
  C      -9.816782     -6.657977      3.680508
  F     -10.664042     -7.060209      2.693306
  C      -8.700828     -5.907853      3.333158
  C      -1.176597     -4.842491      6.148835
  C      -1.751346     -5.428305      7.470862
  C      -3.226361     -5.281212      7.650878
  S      -4.352057     -5.905793      6.572887
  C      -3.674928     -4.561164      8.812523
  O      -4.846264     -4.339810      9.131027
  C       0.348958     -4.879517      6.080589
  C       0.962842     -4.304169      4.960945
  C       2.349413     -4.284810      4.833842
  C       3.160880     -4.850400      5.816522
  C       2.534617     -5.424690      6.912183
  F       3.300721     -5.986383      7.881731
  C       1.150856     -5.452635      7.067155
  H      -3.459264     -2.173320      2.732062
  H      -4.666867     -2.802046      0.744360
  H      -3.166332     -3.030676     -0.196103
  H      -4.447849      0.938987      0.806119
  H      -0.794660     -3.029830      0.061149
  H       1.585630     -2.366703      0.364725
  H       2.318350     -1.197460      2.489447
  H      -1.749991     -1.411901      4.003954
  H      -6.385950     -4.057492      4.922472
  H      -5.743118     -3.171293      2.802140
  H      -6.778453     -4.285371      1.898681
  H      -8.567956     -0.966632      4.024424
  H      -7.405578     -5.510945      6.454051
  H      -9.429352     -6.849326      7.025482
  H     -11.000068     -7.598700      5.210510
  H      -8.544731     -5.644784      2.288324
  H      -1.464358     -3.785348      6.112662
  H      -1.479608     -6.495177      7.518408
  H      -1.240070     -4.930269      8.307503
  H      -2.831279     -4.196529      9.452995
  H       0.337883     -3.867204      4.186733
  H       2.806697     -3.817758      3.962878
  H       4.248168     -4.848044      5.743600
  H       0.733656     -5.918133      7.956446
  N      -3.815088     -3.299187      4.989546
  N      -4.201683     -2.209195      5.530332
  H      -3.594859     -1.737918      6.190327
  H      -5.144930     -1.872053      5.303208
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.720126934813
  N      -3.039564     -4.167558      2.394677
  C      -2.803347     -5.147224      1.338955
  C      -2.280685     -6.440118      1.936407
  N      -3.102421     -6.816362      3.113942
  C      -4.401963     -7.421485      2.721537
  C      -5.486190     -6.971456      3.689139
  N      -5.357809     -5.540896      3.892908
  Mo     -3.480703     -4.851558      4.217114
  N      -1.742729     -5.471088      4.971408
  C      -1.259046     -6.828755      4.729257
  C      -2.354045     -7.661035      4.074971
  H      -0.964705     -7.320493      5.673074
  H      -0.344307     -6.799575      4.108879
  H      -3.070835     -7.981582      4.841138
  H      -1.944650     -8.555377      3.573862
  H      -6.470668     -7.238380      3.285138
  H      -5.390394     -7.507648      4.656238
  H      -4.649665     -7.056501      1.716359
  H      -4.311445     -8.519406      2.678087
  H      -2.056009     -4.790980      0.614107
  H      -3.734938     -5.330607      0.766703
  H      -1.252842     -6.278261      2.284155
  H      -2.273755     -7.257560      1.195279
  C      -2.918136     -2.760712      2.004550
  C      -3.625321     -2.475895      0.648787
  C      -3.612568     -1.023703      0.300655
  S      -2.672970     -0.343040     -0.850108
  C      -4.521191     -0.133809      1.056276
  O      -5.314355     -0.534922      1.889076
  C      -1.479627     -2.314204      2.035738
  C      -0.591145     -2.575086      1.008840
  C       0.733967     -2.205154      1.119204
  C       1.203006     -1.562133      2.249410
  C       0.303257     -1.290752      3.252980
  F       0.738487     -0.658242      4.356396
  C      -1.024348     -1.648304      3.168250
  C      -6.558596     -4.689681      4.039133
  C      -6.654453     -3.703443      2.821306
  C      -7.775329     -2.719810      2.955020
  S      -9.102943     -2.666165      1.960905
  C      -7.679073     -1.698539      4.017752
  O      -6.726121     -1.583206      4.800846
  C      -7.824737     -5.479310      4.302030
  C      -8.118778     -5.828164      5.629820
  C      -9.256030     -6.583415      5.935253
  C     -10.122107     -7.007056      4.919786
  C      -9.813787     -6.650788      3.607631
  F     -10.647785     -7.054466      2.605031
  C      -8.687557     -5.897332      3.274519
  C      -1.164285     -4.833802      6.157234
  C      -1.731965     -5.439903      7.478772
  C      -3.204597     -5.287996      7.670945
  S      -4.331953     -5.898390      6.582103
  C      -3.653080     -4.585588      8.883221
  O      -4.834927     -4.361000      9.242833
  C       0.360068     -4.865214      6.094056
  C       0.982231     -4.262384      4.983709
  C       2.368552     -4.240421      4.869193
  C       3.171633     -4.835574      5.855153
  C       2.536098     -5.439921      6.941352
  F       3.291728     -6.033992      7.915032
  C       1.153302     -5.465839      7.082970
  H      -3.451139     -2.177033      2.756686
  H      -4.662581     -2.805043      0.768364
  H      -3.162696     -3.047957     -0.157379
  H      -4.449255      0.943991      0.783891
  H      -0.935278     -3.035734      0.099299
  H       1.412234     -2.407878      0.308732
  H       2.233860     -1.263772      2.354090
  H      -1.713548     -1.406601      3.980266
  H      -6.402410     -4.061383      4.924776
  H      -5.687167     -3.144404      2.815695
  H      -6.731330     -4.260655      1.867420
  H      -8.536096     -0.995764      4.067930
  H      -7.442057     -5.504469      6.426286
  H      -9.475560     -6.843493      6.975030
  H     -11.020118     -7.593477      5.131799
  H      -8.513746     -5.633217      2.228911
  H      -1.460104     -3.770671      6.129141
  H      -1.457110     -6.509442      7.507446
  H      -1.219418     -4.955168      8.323946
  H      -2.800434     -4.234862      9.528873
  H       0.361434     -3.803230      4.208526
  H       2.834081     -3.750080      4.006206
  H       4.258952     -4.834593      5.791853
  H       0.727633     -5.955221      7.965782
  N      -3.795543     -3.293829      5.005050
  N      -4.174113     -2.171926      5.560607
  H      -3.546727     -1.695459      6.228932
  H      -5.146398     -1.814715      5.337541
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.718208924918
  N      -3.041293     -4.156118      2.379383
  C      -2.800459     -5.143434      1.329191
  C      -2.289980     -6.437006      1.936818
  N      -3.120565     -6.805525      3.112155
  C      -4.424525     -7.406195      2.716406
  C      -5.507212     -6.956468      3.688588
  N      -5.377258     -5.524157      3.891599
  Mo     -3.505024     -4.843959      4.202588
  N      -1.761622     -5.463765      4.974259
  C      -1.289151     -6.825050      4.736181
  C      -2.383127     -7.652255      4.077355
  H      -1.004114     -7.319296      5.681043
  H      -0.370688     -6.805600      4.119935
  H      -3.107229     -7.968602      4.840396
  H      -1.973745     -8.549909      3.579702
  H      -6.497036     -7.221076      3.285302
  H      -5.408774     -7.494947      4.655757
  H      -4.670455     -7.040046      1.710284
  H      -4.338168     -8.505854      2.673524
  H      -2.042944     -4.795042      0.608469
  H      -3.729041     -5.323346      0.749495
  H      -1.262820     -6.278536      2.289641
  H      -2.283713     -7.258442      1.199200
  C      -2.908015     -2.750317      1.977788
  C      -3.594896     -2.445768      0.607537
  C      -3.559189     -0.989358      0.275532
  S      -2.571861     -0.314679     -0.873994
  C      -4.478615     -0.078523      1.040154
  O      -5.342487     -0.473097      1.900974
  C      -1.453140     -2.309694      2.037985
  C      -0.523794     -2.573641      1.023286
  C       0.814629     -2.200150      1.173934
  C       1.249377     -1.543892      2.330343
  C       0.310413     -1.275992      3.315702
  F       0.710219     -0.634194      4.449861
  C      -1.023946     -1.645010      3.194962
  C      -6.572864     -4.687382      4.053234
  C      -6.697172     -3.711098      2.837682
  C      -7.820035     -2.728134      2.961643
  S      -9.155576     -2.689291      1.984921
  C      -7.724114     -1.714266      4.009011
  O      -6.775709     -1.600836      4.773173
  C      -7.821377     -5.498713      4.335587
  C      -8.096195     -5.858167      5.666208
  C      -9.214780     -6.632126      5.974785
  C     -10.080230     -7.063161      4.964047
  C      -9.790355     -6.695354      3.650668
  F     -10.622080     -7.103966      2.653090
  C      -8.683857     -5.925101      3.314584
  C      -1.178063     -4.824350      6.153296
  C      -1.746258     -5.410741      7.485468
  C      -3.220615     -5.258589      7.671283
  S      -4.355007     -5.882294      6.587195
  C      -3.679838     -4.534468      8.849417
  O      -4.823811     -4.334262      9.134118
  C       0.349842     -4.868358      6.076305
  C       0.965006     -4.301173      4.951431
  C       2.353290     -4.302887      4.818500
  C       3.164178     -4.877059      5.800670
  C       2.537335     -5.436896      6.900641
  F       3.302891     -6.003719      7.869432
  C       1.153500     -5.447605      7.061759
  H      -3.452584     -2.161992      2.728841
  H      -4.645750     -2.769696      0.707573
  H      -3.124448     -3.012219     -0.207663
  H      -4.366655      0.993001      0.768380
  H      -0.839424     -3.042070      0.087212
  H       1.531509     -2.408126      0.372063
  H       2.289281     -1.236748      2.465123
  H      -1.730236     -1.427423      3.996039
  H      -6.400402     -4.051771      4.934567
  H      -5.755192     -3.150475      2.808762
  H      -6.781138     -4.286208      1.907419
  H      -8.584482     -1.014832      4.072236
  H      -7.420779     -5.530215      6.457363
  H      -9.420304     -6.901114      7.011524
  H     -10.962157     -7.662360      5.177621
  H      -8.522965     -5.652788      2.271109
  H      -1.463043     -3.762369      6.117218
  H      -1.473487     -6.480466      7.530072
  H      -1.230101     -4.912634      8.324932
  H      -2.860538     -4.157968      9.499395
  H       0.339847     -3.855388      4.176236
  H       2.813461     -3.846785      3.942186
  H       4.252627     -4.890607      5.722822
  H       0.736556     -5.905458      7.955669
  N      -3.814195     -3.291075      4.983304
  N      -4.174734     -2.201703      5.529219
  H      -3.560928     -1.753344      6.189896
  H      -5.120381     -1.845570      5.306089
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.716807841836
  N      -3.035670     -4.175030      2.372044
  C      -2.794180     -5.161074      1.321677
  C      -2.287942     -6.459335      1.927219
  N      -3.124300     -6.826469      3.098723
  C      -4.429429     -7.421074      2.698771
  C      -5.512631     -6.964448      3.666016
  N      -5.375360     -5.530294      3.873955
  Mo     -3.498946     -4.861909      4.196699
  N      -1.759654     -5.495736      4.965044
  C      -1.289474     -6.858193      4.726072
  C      -2.389131     -7.678736      4.062372
  H      -1.007987     -7.354432      5.670959
  H      -0.371258     -6.840153      4.110408
  H      -3.114691     -7.996444      4.822638
  H      -1.980456     -8.575082      3.561568
  H      -6.503201     -7.224029      3.262024
  H      -5.417867     -7.502999      4.633064
  H      -4.668444     -7.054431      1.692333
  H      -4.348642     -8.520324      2.657161
  H      -2.035365     -4.810373      0.602658
  H      -3.723471     -5.338113      0.743003
  H      -1.261919     -6.306400      2.284128
  H      -2.282429     -7.278703      1.187806
  C      -2.904908     -2.765940      1.974215
  C      -3.597957     -2.473808      0.601574
  C      -3.581627     -1.017578      0.265208
  S      -2.599207     -0.322581     -0.881519
  C      -4.501559     -0.135435      1.033607
  O      -5.275901     -0.551059      1.881244
  C      -1.440803     -2.310273      2.039329
  C      -0.484948     -2.559957      1.022513
  C       0.856455     -2.163121      1.189745
  C       1.274304     -1.502549      2.363348
  C       0.309409     -1.249775      3.347640
  F       0.685939     -0.602813      4.502408
  C      -1.027196     -1.636336      3.207396
  C      -6.569704     -4.684972      4.043508
  C      -6.702001     -3.691713      2.850132
  C      -7.785904     -2.713860      2.981397
  S      -9.102300     -2.652821      2.038443
  C      -7.672579     -1.703505      4.006846
  O      -6.731514     -1.584295      4.781735
  C      -7.826466     -5.483919      4.338055
  C      -8.093920     -5.839611      5.666902
  C      -9.218116     -6.605213      5.983799
  C     -10.094678     -7.031613      4.982465
  C      -9.810707     -6.667713      3.672107
  F     -10.653716     -7.073840      2.682849
  C      -8.701137     -5.905660      3.327157
  C      -1.181863     -4.852841      6.139525
  C      -1.752377     -5.437372      7.465290
  C      -3.230127     -5.280697      7.652389
  S      -4.371975     -5.911178      6.563154
  C      -3.671484     -4.546512      8.861248
  O      -4.855224     -4.316997      9.233765
  C       0.343232     -4.880040      6.066787
  C       0.954470     -4.318263      4.944683
  C       2.340035     -4.284430      4.818203
  C       3.151799     -4.817227      5.802607
  C       2.528028     -5.376570      6.898617
  F       3.294429     -5.900404      7.869174
  C       1.146196     -5.423817      7.054483
  H      -3.454479     -2.183095      2.728097
  H      -4.649522     -2.808745      0.705542
  H      -3.120799     -3.036508     -0.214302
  H      -4.433584      0.945389      0.768063
  H      -0.786015     -3.030355      0.074866
  H       1.586097     -2.354723      0.388919
  H       2.314121     -1.179389      2.513922
  H      -1.739302     -1.414454      4.004177
  H      -6.384807     -4.060803      4.927939
  H      -5.782656     -3.135906      2.813710
  H      -6.799200     -4.242217      1.946635
  H      -8.513391     -1.009443      4.055519
  H      -7.406096     -5.515205      6.452935
  H      -9.418035     -6.871498      7.022370
  H     -10.982329     -7.626175      5.203453
  H      -8.547011     -5.637235      2.282212
  H      -1.472020     -3.794576      6.095980
  H      -1.480339     -6.508811      7.508589
  H      -1.235834     -4.939699      8.306539
  H      -2.809240     -4.173843      9.502087
  H       0.330766     -3.904163      4.167610
  H       2.794988     -3.828514      3.945209
  H       4.237683     -4.798939      5.730533
  H       0.731019     -5.873460      7.945785
  N      -3.808877     -3.313461      4.980360
  N      -4.198845     -2.211639      5.519385
  H      -3.586123     -1.728045      6.196992
  H      -5.150902     -1.871742      5.283194
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.720128827299
  N      -3.034688     -4.164958      2.391763
  C      -2.793533     -5.148371      1.341203
  C      -2.276379     -6.442543      1.944110
  N      -3.105994     -6.814601      3.118202
  C      -4.404889     -7.417208      2.720860
  C      -5.488876     -6.966702      3.685611
  N      -5.360134     -5.533563      3.889995
  Mo     -3.488394     -4.851198      4.218537
  N      -1.748692     -5.478701      4.984638
  C      -1.271300     -6.836344      4.745105
  C      -2.364655     -7.662387      4.081931
  H      -0.986923     -7.330773      5.688687
  H      -0.353276     -6.811166      4.130954
  H      -3.086897     -7.984217      4.842788
  H      -1.952608     -8.555887      3.580903
  H      -6.474150     -7.233212      3.280702
  H      -5.393392     -7.502043      4.653201
  H      -4.647425     -7.051462      1.714788
  H      -4.316974     -8.514925      2.678813
  H      -2.041208     -4.793933      0.619458
  H      -3.723239     -5.331630      0.766107
  H      -1.249941     -6.283642      2.296985
  H      -2.268382     -7.261090      1.204092
  C      -2.914457     -2.758654      1.996541
  C      -3.623729     -2.476819      0.635384
  C      -3.622722     -1.024033      0.293602
  S      -2.667328     -0.324820     -0.854865
  C      -4.539056     -0.158211      1.061075
  O      -5.279346     -0.575079      1.889817
  C      -1.462217     -2.303212      2.040151
  C      -0.537645     -2.556099      1.014369
  C       0.796725     -2.168098      1.149589
  C       1.240390     -1.515270      2.299970
  C       0.305661     -1.255408      3.296822
  F       0.710329     -0.614576      4.423947
  C      -1.026707     -1.631076      3.187424
  C      -6.560266     -4.692003      4.043951
  C      -6.672557     -3.714928      2.821476
  C      -7.797708     -2.722847      2.935466
  S      -9.135923     -2.684801      1.926465
  C      -7.707174     -1.677346      3.990315
  O      -6.749779     -1.537735      4.805777
  C      -7.821927     -5.481170      4.325901
  C      -8.118152     -5.820267      5.646937
  C      -9.250162     -6.573238      5.949688
  C     -10.104742     -7.002406      4.940254
  C      -9.791593     -6.654775      3.639271
  F     -10.613825     -7.063474      2.641931
  C      -8.674201     -5.905840      3.307771
  C      -1.169085     -4.846942      6.163223
  C      -1.741359     -5.442029      7.482510
  C      -3.214918     -5.281936      7.670075
  S      -4.345836     -5.896614      6.584492
  C      -3.657680     -4.564548      8.856534
  O      -4.838873     -4.334620      9.208450
  C       0.355949     -4.887147      6.085204
  C       0.960902     -4.293987      4.961982
  C       2.347105     -4.273396      4.826708
  C       3.169035     -4.862470      5.805562
  C       2.552164     -5.457145      6.905037
  F       3.328760     -6.044189      7.870505
  C       1.168057     -5.481423      7.067533
  H      -3.455888     -2.175577      2.750857
  H      -4.666265     -2.815861      0.753452
  H      -3.153143     -3.041508     -0.177869
  H      -4.488021      0.926792      0.797960
  H      -0.860512     -3.022271      0.087236
  H       1.499336     -2.362514      0.342856
  H       2.275335     -1.202098      2.425589
  H      -1.724859     -1.399551      3.990643
  H      -6.392840     -4.059205      4.927029
  H      -5.710545     -3.155551      2.807788
  H      -6.756097     -4.289008      1.870849
  H      -8.578106     -0.971994      4.019263
  H      -7.447228     -5.492323      6.440872
  H      -9.473471     -6.826875      6.985035
  H     -10.999626     -7.587977      5.150149
  H      -8.497700     -5.648972      2.265891
  H      -1.458187     -3.787242      6.135922
  H      -1.475211     -6.511179      7.517125
  H      -1.224785     -4.955125      8.323129
  H      -2.805431     -4.207372      9.495981
  H       0.328244     -3.842393      4.192046
  H       2.797745     -3.790356      3.954148
  H       4.256323     -4.861772      5.725973
  H       0.755979     -5.962627      7.958560
  N      -3.804539     -3.295850      5.001476
  N      -4.197016     -2.190360      5.535926
  H      -3.589299     -1.705575      6.203214
  H      -5.151138     -1.853815      5.307319
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.719977933544
  N      -3.024720     -4.162278      2.379749
  C      -2.778582     -5.143231      1.323708
  C      -2.276748     -6.441329      1.927572
  N      -3.112969     -6.811801      3.097042
  C      -4.415333     -7.404133      2.691908
  C      -5.502696     -6.959038      3.657852
  N      -5.369974     -5.529222      3.871514
  Mo     -3.490220     -4.853819      4.193523
  N      -1.763452     -5.476353      4.968688
  C      -1.291399     -6.840764      4.731805
  C      -2.382534     -7.663393      4.063808
  H      -1.013769     -7.336182      5.679138
  H      -0.369594     -6.821614      4.120797
  H      -3.110965     -7.979764      4.820597
  H      -1.972561     -8.559370      3.565826
  H      -6.488432     -7.218224      3.243571
  H      -5.414935     -7.505001      4.621995
  H      -4.654552     -7.028180      1.688235
  H      -4.331522     -8.502489      2.640737
  H      -2.013906     -4.792041      0.612445
  H      -3.703347     -5.315828      0.734590
  H      -1.250937     -6.288032      2.286122
  H      -2.269931     -7.259777      1.186947
  C      -2.895506     -2.757576      1.987491
  C      -3.585714     -2.452928      0.627498
  C      -3.558699     -0.997651      0.302093
  S      -2.614386     -0.316338     -0.838582
  C      -4.456185     -0.099004      1.065044
  O      -5.302448     -0.499045      1.912938
  C      -1.448275     -2.316405      2.044568
  C      -0.537907     -2.586163      1.028526
  C       0.791864     -2.217031      1.159713
  C       1.237150     -1.556010      2.300375
  C       0.315563     -1.279557      3.291626
  F       0.729700     -0.632986      4.403403
  C      -1.013673     -1.645150      3.191020
  C      -6.564326     -4.692440      4.050316
  C      -6.685656     -3.712248      2.835542
  C      -7.821842     -2.724103      2.956882
  S      -9.178694     -2.703985      1.956547
  C      -7.738805     -1.692829      4.015048
  O      -6.786529     -1.570671      4.791296
  C      -7.823911     -5.489689      4.337935
  C      -8.097351     -5.837999      5.673343
  C      -9.224818     -6.602398      5.991638
  C     -10.101432     -7.034760      4.984475
  C      -9.813526     -6.678185      3.664927
  F     -10.656859     -7.089413      2.670308
  C      -8.697442     -5.917238      3.319009
  C      -1.177103     -4.837370      6.154031
  C      -1.743111     -5.441891      7.483932
  C      -3.217589     -5.289150      7.667719
  S      -4.346147     -5.908570      6.578294
  C      -3.677853     -4.579670      8.861291
  O      -4.830485     -4.385732      9.161607
  C       0.349438     -4.868748      6.078677
  C       0.968655     -4.302635      4.952750
  C       2.356409     -4.280137      4.829421
  C       3.164680     -4.825639      5.822068
  C       2.532201     -5.386447      6.925531
  F       3.292033     -5.923488      7.906561
  C       1.148836     -5.422188      7.075262
  H      -3.437668     -2.173900      2.739753
  H      -4.627758     -2.779659      0.735538
  H      -3.122814     -3.011071     -0.188532
  H      -4.361777      0.970996      0.793595
  H      -0.863714     -3.059266      0.106068
  H       1.494504     -2.432308      0.355037
  H       2.270890     -1.250797      2.419064
  H      -1.728178     -1.416807      3.995562
  H      -6.382299     -4.064287      4.935134
  H      -5.735057     -3.139894      2.799066
  H      -6.774138     -4.296814      1.897902
  H      -8.607880     -0.995759      4.072827
  H      -7.412364     -5.509848      6.462340
  H      -9.428487     -6.863083      7.034225
  H     -10.990877     -7.627438      5.206021
  H      -8.538645     -5.653698      2.269998
  H      -1.469898     -3.772351      6.126825
  H      -1.471449     -6.517423      7.519979
  H      -1.227840     -4.951909      8.332683
  H      -2.855068     -4.204904      9.512210
  H       0.345084     -3.874231      4.172166
  H       2.822506     -3.824563      3.954239
  H       4.252383     -4.815351      5.749423
  H       0.724857     -5.873224      7.970377
  N      -3.810924     -3.292787      4.979276
  N      -4.178987     -2.186503      5.521899
  H      -3.567955     -1.730446      6.178748
  H      -5.136418     -1.824687      5.284979
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.720997335809
  N      -3.029173     -4.161794      2.377505
  C      -2.784090     -5.149549      1.329851
  C      -2.274693     -6.444237      1.939827
  N      -3.111569     -6.810041      3.110500
  C      -4.415112     -7.407094      2.709259
  C      -5.499409     -6.952887      3.676415
  N      -5.368831     -5.518132      3.881286
  Mo     -3.497192     -4.846304      4.201824
  N      -1.755348     -5.471281      4.978704
  C      -1.283140     -6.831902      4.743888
  C      -2.378539     -7.658065      4.079387
  H      -1.005328     -7.328129      5.688976
  H      -0.360834     -6.814302      4.135231
  H      -3.105332     -7.975694      4.838415
  H      -1.966507     -8.554604      3.582875
  H      -6.487275     -7.215372      3.271059
  H      -5.405432     -7.490127      4.643630
  H      -4.653801     -7.041206      1.701931
  H      -4.333629     -8.506851      2.667386
  H      -2.025083     -4.799594      0.611523
  H      -3.710428     -5.329460      0.749340
  H      -1.249850     -6.287095      2.297700
  H      -2.265416     -7.266050      1.203857
  C      -2.908434     -2.754492      1.974362
  C      -3.603800     -2.467825      0.604266
  C      -3.588648     -1.011622      0.262485
  S      -2.595204     -0.329865     -0.884323
  C      -4.524192     -0.116000      1.023944
  O      -5.330353     -0.520828      1.880571
  C      -1.455092     -2.300032      2.030682
  C      -0.518145     -2.557903      1.017057
  C       0.817181     -2.169551      1.168874
  C       1.244690     -1.507157      2.325129
  C       0.297530     -1.246358      3.308789
  F       0.685921     -0.598370      4.444876
  C      -1.033949     -1.627890      3.184795
  C      -6.568441     -4.680300      4.053390
  C      -6.698971     -3.696403      2.846819
  C      -7.799718     -2.717811      2.973901
  S      -9.122193     -2.666114      2.013851
  C      -7.698286     -1.705868      4.013325
  O      -6.756966     -1.584937      4.783318
  C      -7.819688     -5.485793      4.340386
  C      -8.096146     -5.837911      5.670714
  C      -9.214478     -6.612350      5.981681
  C     -10.077227     -7.051080      4.973392
  C      -9.786002     -6.689872      3.660581
  F     -10.615592     -7.107662      2.664956
  C      -8.680665     -5.919282      3.321766
  C      -1.177259     -4.833496      6.156552
  C      -1.752726     -5.420559      7.478957
  C      -3.226027     -5.264203      7.658514
  S      -4.356018     -5.886212      6.582472
  C      -3.679606     -4.539582      8.831783
  O      -4.844547     -4.331728      9.160472
  C       0.347667     -4.877518      6.083656
  C       0.957460     -4.277835      4.959505
  C       2.344256     -4.277615      4.830474
  C       3.159714     -4.896810      5.815525
  C       2.537337     -5.492890      6.915583
  F       3.309164     -6.115379      7.885479
  C       1.153215     -5.493687      7.072698
  H      -3.456374     -2.169709      2.725965
  H      -4.650214     -2.802077      0.708551
  H      -3.125779     -3.034465     -0.209058
  H      -4.445698      0.961765      0.748044
  H      -0.828461     -3.029545      0.082119
  H       1.535002     -2.368918      0.368318
  H       2.280452     -1.187847      2.461341
  H      -1.740293     -1.407099      3.980483
  H      -6.392678     -4.050726      4.936353
  H      -5.765084     -3.138007      2.808461
  H      -6.794023     -4.259494      1.929134
  H      -8.550143     -1.012123      4.067123
  H      -7.420619     -5.506001      6.460918
  H      -9.420663     -6.876461      7.019611
  H     -10.958804     -7.652398      5.189433
  H      -8.518715     -5.653964      2.277198
  H      -1.462467     -3.773478      6.128615
  H      -1.483511     -6.485356      7.522746
  H      -1.241966     -4.926566      8.315633
  H      -2.842444     -4.159497      9.463341
  H       0.329147     -3.805699      4.184224
  H       2.801841     -3.792462      3.956762
  H       4.247609     -4.917280      5.739834
  H       0.735372     -5.985257      7.964462
  N      -3.813418     -3.289437      4.977296
  N      -4.189416     -2.192549      5.508491
  H      -3.583685     -1.723725      6.178902
  H      -5.137501     -1.848408      5.278764
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.718716757899
  N      -3.030086     -4.174625      2.389098
  C      -2.787158     -5.156339      1.338758
  C      -2.278288     -6.453247      1.941638
  N      -3.113817     -6.822993      3.113709
  C      -4.416795     -7.418527      2.711850
  C      -5.501200     -6.967190      3.679383
  N      -5.365183     -5.535096      3.888049
  Mo     -3.493583     -4.860453      4.214790
  N      -1.753058     -5.494912      4.983538
  C      -1.281729     -6.854336      4.745226
  C      -2.378359     -7.674871      4.078589
  H      -1.001336     -7.351237      5.690640
  H      -0.361135     -6.834798      4.132108
  H      -3.104598     -7.995124      4.837765
  H      -1.968359     -8.570076      3.576495
  H      -6.488105     -7.227029      3.272530
  H      -5.409735     -7.506719      4.644651
  H      -4.656682     -7.045965      1.707349
  H      -4.334016     -8.517060      2.663141
  H      -2.029239     -4.803917      0.622286
  H      -3.713664     -5.334764      0.757473
  H      -1.251863     -6.299388      2.297879
  H      -2.271371     -7.270770      1.199961
  C      -2.907141     -2.764741      1.994789
  C      -3.611961     -2.473552      0.631236
  C      -3.608635     -1.016958      0.296324
  S      -2.636102     -0.302148     -0.848424
  C      -4.540084     -0.157837      1.062813
  O      -5.293388     -0.585191      1.887490
  C      -1.451503     -2.308010      2.045628
  C      -0.505435     -2.556025      1.026502
  C       0.836801     -2.165183      1.186525
  C       1.263999     -1.514055      2.351547
  C       0.307388     -1.255296      3.338027
  F       0.692192     -0.611785      4.484054
  C      -1.028479     -1.636570      3.204206
  C      -6.560992     -4.684540      4.050380
  C      -6.673332     -3.705777      2.826679
  C      -7.792589     -2.724413      2.948559
  S      -9.108809     -2.675289      1.960055
  C      -7.708822     -1.699757      4.001508
  O      -6.763083     -1.556683      4.803389
  C      -7.817945     -5.476995      4.333355
  C      -8.114214     -5.815419      5.653633
  C      -9.243196     -6.570524      5.955705
  C     -10.094502     -7.001703      4.946702
  C      -9.781059     -6.654242      3.647009
  F     -10.600547     -7.063690      2.650370
  C      -8.666430     -5.904207      3.316324
  C      -1.176907     -4.853436      6.151708
  C      -1.746012     -5.433686      7.476464
  C      -3.221536     -5.277892      7.667140
  S      -4.356497     -5.903978      6.583370
  C      -3.661451     -4.543996      8.859899
  O      -4.849709     -4.307177      9.229368
  C       0.347770     -4.884136      6.066883
  C       0.941928     -4.334564      4.941262
  C       2.326256     -4.314042      4.794230
  C       3.153504     -4.849081      5.764978
  C       2.548018     -5.390258      6.863846
  F       3.332031     -5.916657      7.820632
  C       1.166868     -5.424844      7.040149
  H      -3.448798     -2.184478      2.749106
  H      -4.657118     -2.814773      0.742848
  H      -3.136665     -3.034723     -0.181581
  H      -4.482301      0.933341      0.808180
  H      -0.813890     -3.019569      0.088778
  H       1.556642     -2.356307      0.387868
  H       2.303275     -1.200394      2.496104
  H      -1.730640     -1.408913      3.999401
  H      -6.389633     -4.051764      4.933613
  H      -5.714673     -3.153132      2.814894
  H      -6.753952     -4.269498      1.875169
  H      -8.580235     -1.005421      4.036622
  H      -7.446001     -5.485732      6.446775
  H      -9.466575     -6.823877      6.989636
  H     -10.987138     -7.588558      5.155603
  H      -8.490230     -5.646843      2.275851
  H      -1.469723     -3.798769      6.109278
  H      -1.473510     -6.497434      7.520049
  H      -1.232232     -4.936070      8.309139
  H      -2.798176     -4.176955      9.491152
  H       0.303693     -3.917694      4.174389
  H       2.765888     -3.867472      3.916785
  H       4.239856     -4.844270      5.678789
  H       0.766248     -5.867272      7.934008
  N      -3.811362     -3.312973      4.993383
  N      -4.215532     -2.208934      5.522549
  H      -3.611163     -1.715566      6.207477
  H      -5.165881     -1.879525      5.287606
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.721990353497
  N      -3.020179     -4.170135      2.375865
  C      -2.774634     -5.149016      1.319164
  C      -2.270593     -6.447333      1.920466
  N      -3.108031     -6.818920      3.090296
  C      -4.411052     -7.411064      2.685727
  C      -5.496290     -6.964986      3.652713
  N      -5.360465     -5.534432      3.864099
  Mo     -3.487283     -4.861539      4.190735
  N      -1.756182     -5.486938      4.963732
  C      -1.283120     -6.851717      4.723534
  C      -2.375925     -7.672201      4.054886
  H      -1.005076     -7.348535      5.671876
  H      -0.360070     -6.831209      4.112647
  H      -3.103756     -7.990349      4.813058
  H      -1.967934     -8.567733      3.552936
  H      -6.482232     -7.225055      3.239963
  H      -5.407528     -7.510349      4.617370
  H      -4.651655     -7.032784      1.683098
  H      -4.327736     -8.508475      2.632349
  H      -2.012564     -4.795738      0.604916
  H      -3.700924     -5.323944      0.732189
  H      -1.244762     -6.295561      2.279472
  H      -2.263001     -7.263586      1.177363
  C      -2.901116     -2.763468      1.982405
  C      -3.609599     -2.477878      0.622696
  C      -3.616743     -1.023586      0.290943
  S      -2.689476     -0.319548     -0.849918
  C      -4.535253     -0.153383      1.048809
  O      -5.320873     -0.570129      1.875300
  C      -1.451041     -2.308515      2.032367
  C      -0.526900     -2.569656      1.009094
  C       0.806510     -2.185158      1.148542
  C       1.244135     -1.523469      2.300106
  C       0.311638     -1.257714      3.296687
  F       0.715801     -0.610991      4.419347
  C      -1.019628     -1.633838      3.186752
  C      -6.552349     -4.688037      4.047724
  C      -6.680773     -3.710054      2.833887
  C      -7.803255     -2.719214      2.945755
  S      -9.146877     -2.691989      1.934010
  C      -7.723939     -1.680484      4.002170
  O      -6.775447     -1.542322      4.801175
  C      -7.815420     -5.476469      4.340944
  C      -8.089295     -5.817307      5.671158
  C      -9.222229     -6.568679      5.991633
  C     -10.102241     -6.994193      4.990295
  C      -9.812752     -6.644511      3.678079
  F     -10.660640     -7.048553      2.688803
  C      -8.692918     -5.897330      3.329476
  C      -1.170724     -4.855031      6.152826
  C      -1.733239     -5.460938      7.483347
  C      -3.208745     -5.296210      7.671915
  S      -4.350166     -5.917598      6.567019
  C      -3.651032     -4.566833      8.877419
  O      -4.818214     -4.337465      9.187976
  C       0.353925     -4.888693      6.088661
  C       0.987676     -4.276051      4.978522
  C       2.374678     -4.237392      4.870296
  C       3.165465     -4.818161      5.862154
  C       2.519845     -5.439954      6.946377
  F       3.262927     -6.018543      7.926520
  C       1.137758     -5.489074      7.082114
  H      -3.447716     -2.178234      2.734312
  H      -4.649099     -2.820381      0.741292
  H      -3.140135     -3.038172     -0.189883
  H      -4.478240      0.925435      0.785742
  H      -0.846162     -3.042832      0.079647
  H       1.514674     -2.389399      0.342840
  H       2.276688     -1.207697      2.425011
  H      -1.735473     -1.406355      3.991586
  H      -6.363887     -4.064527      4.933156
  H      -5.744241     -3.150909      2.790909
  H      -6.776884     -4.283798      1.913595
  H      -8.597439     -0.983022      4.038552
  H      -7.399777     -5.492589      6.457869
  H      -9.426908     -6.823850      7.033059
  H     -10.997863     -7.577639      5.213510
  H      -8.535263     -5.637786      2.282006
  H      -1.460759     -3.788861      6.125472
  H      -1.465152     -6.544567      7.513163
  H      -1.206002     -4.970860      8.337150
  H      -2.804759     -4.203743      9.539746
  H       0.378231     -3.821967      4.197418
  H       2.848072     -3.738281      4.006211
  H       4.251712     -4.797727      5.804257
  H       0.705350     -5.985893      7.965722
  N      -3.814686     -3.299962      4.967214
  N      -4.198788     -2.190582      5.507989
  H      -3.588478     -1.723111      6.177368
  H      -5.158289     -1.840017      5.277943
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.719740607954
  N      -3.022564     -4.156492      2.384094
  C      -2.780757     -5.142891      1.334351
  C      -2.275332     -6.438238      1.943568
  N      -3.111756     -6.803935      3.113637
  C      -4.414683     -7.399004      2.711620
  C      -5.499711     -6.946879      3.679346
  N      -5.369267     -5.515201      3.884978
  Mo     -3.491740     -4.840076      4.207089
  N      -1.754519     -5.469220      4.982015
  C      -1.287118     -6.829033      4.749540
  C      -2.381446     -7.652802      4.083822
  H      -1.012832     -7.324008      5.694699
  H      -0.363955     -6.814907      4.142616
  H      -3.109694     -7.968567      4.841408
  H      -1.970532     -8.550069      3.588663
  H      -6.486705     -7.210245      3.273323
  H      -5.406439     -7.484090      4.646481
  H      -4.653492     -7.029623      1.705487
  H      -4.333251     -8.499229      2.666136
  H      -2.020504     -4.795245      0.617743
  H      -3.707073     -5.319917      0.752765
  H      -1.249776     -6.281620      2.301449
  H      -2.267153     -7.260015      1.206854
  C      -2.899635     -2.751356      1.982241
  C      -3.586966     -2.452947      0.614810
  C      -3.562783     -0.995456      0.289246
  S      -2.559236     -0.300187     -0.841134
  C      -4.499808     -0.107004      1.050436
  O      -5.338355     -0.522482      1.903313
  C      -1.453667     -2.305893      2.037850
  C      -0.536550     -2.570141      1.027308
  C       0.793581     -2.200757      1.166972
  C       1.236253     -1.548734      2.310581
  C       0.308207     -1.278318      3.293742
  F       0.715317     -0.640335      4.415726
  C      -1.021015     -1.642125      3.182773
  C      -6.568915     -4.683012      4.056006
  C      -6.695107     -3.700000      2.845440
  C      -7.819313     -2.724394      2.974970
  S      -9.149106     -2.683270      1.987576
  C      -7.733508     -1.709040      4.023326
  O      -6.788386     -1.579181      4.797226
  C      -7.818173     -5.491690      4.335909
  C      -8.102590     -5.841699      5.668159
  C      -9.223027     -6.616772      5.976434
  C     -10.081152     -7.059031      4.963127
  C      -9.782641     -6.700422      3.646701
  F     -10.607595     -7.120388      2.646148
  C      -8.673734     -5.928628      3.311010
  C      -1.176698     -4.827587      6.155983
  C      -1.755947     -5.411620      7.478909
  C      -3.227769     -5.261110      7.658740
  S      -4.346194     -5.875314      6.592174
  C      -3.692371     -4.548829      8.817164
  O      -4.846768     -4.353435      9.132737
  C       0.351169     -4.868816      6.079992
  C       0.955830     -4.298831      4.953425
  C       2.343545     -4.301941      4.816260
  C       3.166605     -4.885669      5.797105
  C       2.548774     -5.448567      6.901026
  F       3.326185     -6.027301      7.868505
  C       1.164114     -5.452956      7.064534
  H      -3.443222     -2.168739      2.733722
  H      -4.630898     -2.786664      0.713293
  H      -3.109032     -3.009846     -0.200606
  H      -4.409142      0.969710      0.784562
  H      -0.857793     -3.036973      0.101148
  H       1.499158     -2.409213      0.366271
  H       2.272670     -1.245879      2.437613
  H      -1.719999     -1.415889      3.983774
  H      -6.400159     -4.055458      4.939308
  H      -5.743324     -3.126801      2.815786
  H      -6.779928     -4.272508      1.908251
  H      -8.596469     -1.020816      4.079197
  H      -7.432768     -5.507197      6.461368
  H      -9.435213     -6.878515      7.015014
  H     -10.963679     -7.660138      5.176790
  H      -8.506053     -5.664002      2.265759
  H      -1.464908     -3.769591      6.120712
  H      -1.485844     -6.471550      7.522947
  H      -1.251147     -4.920837      8.311586
  H      -2.874425     -4.168682      9.449024
  H       0.319946     -3.855285      4.182018
  H       2.797188     -3.847483      3.941168
  H       4.255713     -4.903617      5.714689
  H       0.751346     -5.912560      7.956834
  N      -3.807083     -3.283817      4.990204
  N      -4.183390     -2.183654      5.521117
  H      -3.585242     -1.729062      6.183680
  H      -5.141360     -1.835739      5.295325
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.724050890404
  N      -3.014399     -4.170676      2.382058
  C      -2.760709     -5.153533      1.333218
  C      -2.263870     -6.453385      1.941988
  N      -3.110023     -6.819238      3.106281
  C      -4.410499     -7.410572      2.693697
  C      -5.499087     -6.961808      3.655679
  N      -5.363668     -5.528406      3.868635
  Mo     -3.493259     -4.857046      4.200106
  N      -1.761821     -5.489635      4.980782
  C      -1.291429     -6.852714      4.747284
  C      -2.384207     -7.672971      4.075083
  H      -1.020143     -7.348529      5.695240
  H      -0.367583     -6.835135      4.141058
  H      -3.115087     -7.991839      4.828416
  H      -1.971826     -8.567586      3.576388
  H      -6.484691     -7.219251      3.242184
  H      -5.412156     -7.504952      4.619934
  H      -4.643044     -7.032628      1.690163
  H      -4.328889     -8.508513      2.641575
  H      -1.992992     -4.801969      0.625545
  H      -3.681215     -5.327385      0.740963
  H      -1.240499     -6.304849      2.306938
  H      -2.255377     -7.271719      1.202190
  C      -2.896401     -2.761394      1.983642
  C      -3.593991     -2.478526      0.613990
  C      -3.599631     -1.022521      0.278135
  S      -2.650483     -0.323893     -0.867418
  C      -4.544929     -0.144759      1.034334
  O      -5.342015     -0.562008      1.871632
  C      -1.440737     -2.299383      2.046379
  C      -0.492414     -2.542932      1.035189
  C       0.843937     -2.145244      1.200416
  C       1.261070     -1.485494      2.365613
  C       0.300425     -1.231389      3.344602
  F       0.676253     -0.580488      4.488557
  C      -1.029797     -1.624739      3.207729
  C      -6.559418     -4.680048      4.039028
  C      -6.677273     -3.698886      2.821775
  C      -7.803947     -2.726461      2.954533
  S      -9.122813     -2.683018      1.970362
  C      -7.723585     -1.710897      4.007323
  O      -6.781715     -1.574391      4.787670
  C      -7.817535     -5.478642      4.338053
  C      -8.099639     -5.805724      5.676007
  C      -9.229983     -6.565171      6.002373
  C     -10.098851     -7.013440      5.000917
  C      -9.801091     -6.677648      3.680790
  F     -10.637851     -7.104261      2.691741
  C      -8.684239     -5.922453      3.326459
  C      -1.181828     -4.848510      6.154659
  C      -1.753077     -5.439201      7.479293
  C      -3.226936     -5.273063      7.660691
  S      -4.365172     -5.902845      6.573525
  C      -3.666010     -4.527939      8.847628
  O      -4.833889     -4.287126      9.174498
  C       0.343585     -4.888543      6.069259
  C       0.942247     -4.313818      4.941103
  C       2.327912     -4.302632      4.799255
  C       3.154179     -4.880632      5.776474
  C       2.543159     -5.451695      6.879339
  F       3.324885     -6.024333      7.842680
  C       1.160300     -5.468602      7.049093
  H      -3.447563     -2.177716      2.734461
  H      -4.637206     -2.824034      0.720234
  H      -3.112176     -3.039478     -0.199837
  H      -4.485352      0.935188      0.766902
  H      -0.794043     -3.011904      0.094541
  H       1.569892     -2.336516      0.404590
  H       2.297814     -1.163045      2.514434
  H      -1.743525     -1.407834      3.998852
  H      -6.377986     -4.046071      4.923321
  H      -5.716240     -3.133274      2.803865
  H      -6.757992     -4.268212      1.868690
  H      -8.589285     -1.025576      4.056563
  H      -7.418904     -5.463682      6.461829
  H      -9.441087     -6.808612      7.047974
  H     -10.991303     -7.603211      5.228726
  H      -8.520544     -5.674404      2.274969
  H      -1.470695     -3.788165      6.118140
  H      -1.488852     -6.512285      7.517502
  H      -1.235757     -4.947271      8.322233
  H      -2.815525     -4.164333      9.496875
  H       0.308744     -3.869466      4.169915
  H       2.772524     -3.834746      3.920696
  H       4.241153     -4.887174      5.692327
  H       0.754524     -5.934030      7.944301
  N      -3.818316     -3.301864      4.978854
  N      -4.209291     -2.204818      5.506083
  H      -3.608505     -1.719755      6.185360
  H      -5.153519     -1.867966      5.269557
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.718345727053
  N      -3.025891     -4.171047      2.385204
  C      -2.786542     -5.150782      1.330475
  C      -2.276655     -6.447093      1.929877
  N      -3.108782     -6.817163      3.104109
  C      -4.414599     -7.410943      2.705493
  C      -5.494588     -6.963968      3.680302
  N      -5.359617     -5.535669      3.890761
  Mo     -3.483800     -4.858129      4.210294
  N      -1.743320     -5.489725      4.973430
  C      -1.273670     -6.851128      4.734398
  C      -2.371132     -7.670138      4.067563
  H      -0.994194     -7.348738      5.680955
  H      -0.350709     -6.833549      4.123130
  H      -3.097136     -7.989774      4.828083
  H      -1.964409     -8.565986      3.563923
  H      -6.483147     -7.226272      3.276763
  H      -5.397911     -7.506563      4.644920
  H      -4.660614     -7.033226      1.703133
  H      -4.332282     -8.509349      2.651084
  H      -2.028871     -4.799027      0.611931
  H      -3.715024     -5.328367      0.749305
  H      -1.248158     -6.294286      2.283608
  H      -2.272092     -7.264089      1.186601
  C      -2.908673     -2.765896      1.989683
  C      -3.620984     -2.470916      0.637088
  C      -3.617727     -1.013941      0.312372
  S      -2.654934     -0.282287     -0.815408
  C      -4.539611     -0.171252      1.072788
  O      -5.319163     -0.613732      1.881097
  C      -1.464130     -2.314513      2.023764
  C      -0.546491     -2.576361      0.995852
  C       0.787649     -2.199774      1.128807
  C       1.235023     -1.550470      2.277641
  C       0.308488     -1.279767      3.277384
  F       0.720258     -0.643503      4.399163
  C      -1.024231     -1.642276      3.171418
  C      -6.551633     -4.692252      4.074711
  C      -6.688344     -3.714342      2.863788
  C      -7.794876     -2.725414      2.961932
  S      -9.125729     -2.692085      1.948272
  C      -7.720343     -1.680908      4.010268
  O      -6.778242     -1.525095      4.825294
  C      -7.809622     -5.477084      4.350271
  C      -8.114335     -5.827413      5.655477
  C      -9.244317     -6.573807      5.934311
  C     -10.087715     -6.983338      4.918028
  C      -9.766071     -6.622836      3.634586
  F     -10.576690     -7.009487      2.630567
  C      -8.651307     -5.881606      3.326962
  C      -1.161050     -4.852722      6.152717
  C      -1.727612     -5.445134      7.480088
  C      -3.202757     -5.287487      7.673697
  S      -4.334862     -5.904299      6.587297
  C      -3.651147     -4.565006      8.862711
  O      -4.831154     -4.340202      9.201329
  C       0.362861     -4.883979      6.088697
  C       0.989037     -4.288917      4.979628
  C       2.375514     -4.257389      4.862946
  C       3.171817     -4.823711      5.845307
  C       2.533717     -5.419128      6.927750
  F       3.285040     -5.980469      7.897381
  C       1.151915     -5.463675      7.072748
  H      -3.442372     -2.185443      2.743814
  H      -4.657498     -2.814252      0.758045
  H      -3.154425     -3.023045     -0.175290
  H      -4.470143      0.919404      0.828764
  H      -0.872282     -3.041349      0.070871
  H       1.488344     -2.402617      0.321519
  H       2.268123     -1.246373      2.398201
  H      -1.725612     -1.401572      3.978782
  H      -6.367290     -4.072938      4.958254
  H      -5.780437     -3.169276      2.819861
  H      -6.783058     -4.271934      1.967733
  H      -8.606403     -0.984546      4.030740
  H      -7.453097     -5.515583      6.454503
  H      -9.475483     -6.838080      6.955704
  H     -10.980105     -7.563013      5.109209
  H      -8.467342     -5.612273      2.298154
  H      -1.454749     -3.792809      6.120423
  H      -1.456554     -6.515191      7.513619
  H      -1.207645     -4.955183      8.320925
  H      -2.801925     -4.202028      9.498543
  H       0.370251     -3.843684      4.205016
  H       2.843939     -3.774134      4.000383
  H       4.258511     -4.809078      5.781730
  H       0.724904     -5.945852      7.955032
  N      -3.809981     -3.303549      4.978715
  N      -4.223510     -2.186285      5.499244
  H      -3.622837     -1.701598      6.174433
  H      -5.198533     -1.857582      5.264012
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.725176671423
  N      -3.015118     -4.166162      2.381662
  C      -2.770408     -5.146424      1.327521
  C      -2.270516     -6.446109      1.930482
  N      -3.110235     -6.813879      3.099276
  C      -4.414913     -7.403400      2.694036
  C      -5.498372     -6.956844      3.664728
  N      -5.363946     -5.526624      3.876349
  Mo     -3.487564     -4.854804      4.200169
  N      -1.752945     -5.487070      4.972276
  C      -1.285631     -6.850240      4.735152
  C      -2.381725     -7.668185      4.066217
  H      -1.010765     -7.347877      5.682428
  H      -0.361494     -6.835029      4.126305
  H      -3.111457     -7.984306      4.823781
  H      -1.974860     -8.565377      3.565640
  H      -6.485563     -7.216954      3.256471
  H      -5.406021     -7.500543      4.628888
  H      -4.655245     -7.023064      1.692059
  H      -4.334447     -8.501941      2.637927
  H      -2.006051     -4.795977      0.615434
  H      -3.695015     -5.318942      0.739377
  H      -1.244453     -6.296771      2.290368
  H      -2.264503     -7.263331      1.188253
  C      -2.896950     -2.759747      1.984107
  C      -3.595910     -2.474269      0.616510
  C      -3.603522     -1.017289      0.291724
  S      -2.613376     -0.302258     -0.832866
  C      -4.553134     -0.153005      1.047199
  O      -5.340775     -0.577510      1.875200
  C      -1.448153     -2.304863      2.035515
  C      -0.522552     -2.565306      1.017093
  C       0.810513     -2.184416      1.160973
  C       1.246390     -1.524795      2.312593
  C       0.311612     -1.257595      3.302826
  F       0.712325     -0.612328      4.428943
  C      -1.018283     -1.633164      3.187995
  C      -6.559489     -4.682663      4.052003
  C      -6.683846     -3.700188      2.840649
  C      -7.812334     -2.724344      2.963623
  S      -9.138642     -2.688724      1.958802
  C      -7.736296     -1.698956      4.016220
  O      -6.791723     -1.557355      4.805003
  C      -7.817192     -5.478830      4.337297
  C      -8.101427     -5.815653      5.669608
  C      -9.231312     -6.573561      5.985107
  C     -10.098601     -7.010134      4.977399
  C      -9.799324     -6.664498      3.662278
  F     -10.634992     -7.078887      2.667201
  C      -8.681669     -5.910649      3.318939
  C      -1.170543     -4.849384      6.152195
  C      -1.738769     -5.443937      7.479451
  C      -3.212638     -5.284636      7.669394
  S      -4.346442     -5.899319      6.581865
  C      -3.662919     -4.559714      8.858203
  O      -4.830183     -4.339659      9.182506
  C       0.354938     -4.882976      6.082368
  C       0.974868     -4.295841      4.964407
  C       2.361548     -4.275001      4.841227
  C       3.166129     -4.845990      5.826582
  C       2.534081     -5.432509      6.919213
  F       3.293059     -5.998864      7.891679
  C       1.151403     -5.465208      7.069901
  H      -3.445062     -2.174826      2.734812
  H      -4.638752     -2.824103      0.719319
  H      -3.109448     -3.028911     -0.196994
  H      -4.493791      0.930479      0.788403
  H      -0.839684     -3.036751      0.087252
  H       1.520992     -2.390349      0.358549
  H       2.280508     -1.214072      2.442182
  H      -1.726272     -1.407043      3.990859
  H      -6.382019     -4.059545      4.937820
  H      -5.735564     -3.131767      2.812650
  H      -6.767616     -4.270155      1.903799
  H      -8.609683     -1.011842      4.060087
  H      -7.422868     -5.483032      6.460441
  H      -9.443991     -6.825325      7.026841
  H     -10.990758     -7.598442      5.196671
  H      -8.515503     -5.653881      2.270907
  H      -1.462338     -3.788270      6.120330
  H      -1.469600     -6.514742      7.514461
  H      -1.220272     -4.954467      8.321107
  H      -2.823366     -4.194087      9.499921
  H       0.352670     -3.851908      4.188266
  H       2.825213     -3.801509      3.971681
  H       4.253297     -4.841059      5.756996
  H       0.728462     -5.940530      7.958115
  N      -3.811722     -3.297017      4.977383
  N      -4.200027     -2.190015      5.508189
  H      -3.598975     -1.724595      6.176256
  H      -5.161243     -1.845705      5.282660
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.721034534296
  N      -3.016964     -4.165727      2.381885
  C      -2.764458     -5.154068      1.336237
  C      -2.261577     -6.448788      1.952116
  N      -3.106610     -6.812623      3.117434
  C      -4.404706     -7.408314      2.705577
  C      -5.492311     -6.956299      3.666491
  N      -5.359942     -5.520421      3.873593
  Mo     -3.493875     -4.845392      4.205216
  N      -1.760413     -5.474412      4.988658
  C      -1.291999     -6.838261      4.765172
  C      -2.381170     -7.662474      4.091223
  H      -1.028795     -7.330042      5.714855
  H      -0.365260     -6.825774      4.167162
  H      -3.113243     -7.981683      4.841909
  H      -1.964200     -8.557244      3.598178
  H      -6.478525     -7.218374      3.256476
  H      -5.402582     -7.493858      4.634111
  H      -4.636318     -7.035573      1.699831
  H      -4.322676     -8.506847      2.658669
  H      -1.999638     -4.803364      0.624380
  H      -3.686391     -5.334027      0.749004
  H      -1.239475     -6.293138      2.316269
  H      -2.249863     -7.271314      1.218012
  C      -2.899837     -2.757055      1.981691
  C      -3.612265     -2.458775      0.638155
  C      -3.599590     -1.002665      0.299637
  S      -2.720187     -0.297558     -0.851515
  C      -4.510265     -0.133625      1.059611
  O      -5.347991     -0.569501      1.883999
  C      -1.447261     -2.297497      2.034248
  C      -0.500539     -2.542501      1.023234
  C       0.836639     -2.154368      1.185999
  C       1.260495     -1.508603      2.350303
  C       0.299091     -1.249882      3.327998
  F       0.678907     -0.610144      4.472686
  C      -1.034881     -1.627140      3.191631
  C      -6.558174     -4.683575      4.049995
  C      -6.687814     -3.701910      2.834818
  C      -7.806104     -2.725595      2.956026
  S      -9.121345     -2.679551      1.966425
  C      -7.732454     -1.706679      4.009669
  O      -6.792047     -1.557954      4.800523
  C      -7.809610     -5.488258      4.339812
  C      -8.099804     -5.826089      5.667145
  C      -9.222458     -6.595615      5.974805
  C     -10.074048     -7.043841      4.966003
  C      -9.768275     -6.696737      3.656636
  F     -10.586833     -7.123579      2.660046
  C      -8.660232     -5.931547      3.320800
  C      -1.180744     -4.829174      6.158317
  C      -1.758278     -5.407892      7.483538
  C      -3.231267     -5.241850      7.655842
  S      -4.362792     -5.878141      6.582703
  C      -3.671168     -4.491162      8.818515
  O      -4.836092     -4.246408      9.141805
  C       0.344941     -4.879403      6.071549
  C       0.938103     -4.311988      4.943930
  C       2.324502     -4.332927      4.795983
  C       3.157035     -4.939991      5.765545
  C       2.550241     -5.494905      6.869992
  F       3.337827     -6.096355      7.825927
  C       1.166259     -5.477486      7.045681
  H      -3.433290     -2.181303      2.738904
  H      -4.640050     -2.790307      0.774805
  H      -3.168230     -3.014171     -0.178745
  H      -4.427268      0.944951      0.800621
  H      -0.804985     -3.002186      0.082999
  H       1.558851     -2.343062      0.389650
  H       2.300068     -1.196628      2.498735
  H      -1.748272     -1.400002      3.981230
  H      -6.380335     -4.052469      4.934554
  H      -5.740922     -3.137261      2.810047
  H      -6.771990     -4.271068      1.893841
  H      -8.602306     -1.024953      4.052357
  H      -7.431782     -5.486331      6.458730
  H      -9.440073     -6.848448      7.011556
  H     -10.958778     -7.642063      5.179911
  H      -8.488615     -5.676414      2.277356
  H      -1.463309     -3.769817      6.117739
  H      -1.496555     -6.476847      7.530709
  H      -1.245536     -4.912921      8.320718
  H      -2.821241     -4.119228      9.463117
  H       0.301094     -3.854489      4.178073
  H       2.766138     -3.875655      3.917974
  H       4.244844     -4.976490      5.674897
  H       0.763979     -5.935687      7.938688
  N      -3.822030     -3.286305      4.975142
  N      -4.222844     -2.190050      5.489627
  H      -3.629804     -1.698762      6.184614
  H      -5.170234     -1.863433      5.244674
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.725408635491
  N      -3.013156     -4.167940      2.384670
  C      -2.763660     -5.149466      1.333662
  C      -2.263054     -6.448372      1.939861
  N      -3.106847     -6.816706      3.105504
  C      -4.408737     -7.408514      2.695511
  C      -5.494213     -6.961317      3.663003
  N      -5.358548     -5.529481      3.874022
  Mo     -3.489074     -4.856002      4.204105
  N      -1.754665     -5.491264      4.980873
  C      -1.288127     -6.854502      4.747724
  C      -2.379948     -7.672164      4.072387
  H      -1.021337     -7.352007      5.695564
  H      -0.361570     -6.840014      4.145960
  H      -3.110877     -7.993456      4.825020
  H      -1.967946     -8.565658      3.571440
  H      -6.481471     -7.221596      3.254818
  H      -5.401754     -7.503105      4.628028
  H      -4.645034     -7.029102      1.692714
  H      -4.327135     -8.506883      2.641189
  H      -1.999387     -4.797816      0.622162
  H      -3.686853     -5.325007      0.745149
  H      -1.238851     -6.298508      2.303258
  H      -2.254288     -7.265696      1.198513
  C      -2.897170     -2.760137      1.986960
  C      -3.599951     -2.476361      0.619862
  C      -3.610711     -1.020206      0.286363
  S      -2.645011     -0.310098     -0.850387
  C      -4.571633     -0.152290      1.036595
  O      -5.372128     -0.576314      1.866874
  C      -1.446712     -2.297115      2.042139
  C      -0.512606     -2.540936      1.027108
  C       0.820458     -2.148321      1.180569
  C       1.250461     -1.498946      2.338430
  C       0.305651     -1.245374      3.323018
  F       0.696238     -0.605249      4.458293
  C      -1.024801     -1.627605      3.197552
  C      -6.553043     -4.683435      4.050122
  C      -6.678828     -3.706042      2.833087
  C      -7.800693     -2.728825      2.951888
  S      -9.121642     -2.690394      1.952056
  C      -7.729301     -1.707357      4.007278
  O      -6.790398     -1.561989      4.799576
  C      -7.810983     -5.477721      4.342743
  C      -8.103570     -5.805409      5.672728
  C      -9.235891     -6.558234      5.986672
  C     -10.095906     -6.999175      4.980762
  C      -9.787533     -6.662722      3.669004
  F     -10.615140     -7.080984      2.675412
  C      -8.668682     -5.914248      3.327154
  C      -1.173210     -4.852907      6.156619
  C      -1.746163     -5.442272      7.482316
  C      -3.219028     -5.273755      7.663396
  S      -4.355126     -5.898993      6.577486
  C      -3.662586     -4.529727      8.840203
  O      -4.825969     -4.290854      9.154829
  C       0.352198     -4.893801      6.078193
  C       0.960401     -4.313969      4.955403
  C       2.346849     -4.302104      4.819971
  C       3.163823     -4.880427      5.798143
  C       2.543644     -5.457675      6.895428
  F       3.315821     -6.028630      7.860134
  C       1.160526     -5.478531      7.058658
  H      -3.445794     -2.179229      2.739946
  H      -4.641272     -2.826386      0.727944
  H      -3.116127     -3.034490     -0.193941
  H      -4.515381      0.928944      0.772751
  H      -0.823988     -3.002941      0.091813
  H       1.534693     -2.336365      0.380763
  H       2.285879     -1.182184      2.476855
  H      -1.731714     -1.404887      3.993814
  H      -6.370816     -4.052706      4.933748
  H      -5.736739     -3.146310      2.802003
  H      -6.764441     -4.273032      1.900198
  H      -8.604558     -1.023149      4.049068
  H      -7.430731     -5.469349      6.462119
  H      -9.455805     -6.802320      7.025665
  H     -10.989588     -7.583352      5.198918
  H      -8.496491     -5.664447      2.281835
  H      -1.461059     -3.791978      6.122301
  H      -1.483030     -6.514796      7.519165
  H      -1.227120     -4.951867      8.324319
  H      -2.819508     -4.164473      9.491180
  H       0.331704     -3.868295      4.183832
  H       2.799535     -3.831157      3.945868
  H       4.251158     -4.883930      5.719504
  H       0.747190     -5.946707      7.949539
  N      -3.815012     -3.300244      4.977867
  N      -4.213527     -2.197137      5.501750
  H      -3.616548     -1.716576      6.185600
  H      -5.168815     -1.864276      5.272497
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.720388608244
  N      -3.012265     -4.171752      2.375962
  C      -2.768457     -5.152022      1.320489
  C      -2.272859     -6.452432      1.924443
  N      -3.112361     -6.815182      3.094244
  C      -4.420771     -7.399023      2.692827
  C      -5.500454     -6.953483      3.668020
  N      -5.370151     -5.522917      3.881103
  Mo     -3.484557     -4.856046      4.195019
  N      -1.748480     -5.483697      4.962172
  C      -1.282040     -6.848592      4.727795
  C      -2.384572     -7.667300      4.064702
  H      -1.002123     -7.345170      5.677097
  H      -0.357835     -6.837218      4.113682
  H      -3.114254     -7.977093      4.825411
  H      -1.982375     -8.568565      3.566900
  H      -6.488204     -7.213848      3.260789
  H      -5.406826     -7.500187      4.630173
  H      -4.663894     -7.015037      1.692925
  H      -4.344999     -8.497486      2.632211
  H      -2.000262     -4.802738      0.612024
  H      -3.691624     -5.320377      0.729403
  H      -1.246887     -6.302819      2.284921
  H      -2.267125     -7.272201      1.184870
  C      -2.897178     -2.766237      1.978842
  C      -3.605026     -2.468012      0.630286
  C      -3.590090     -1.010383      0.317167
  S      -2.613945     -0.281619     -0.797888
  C      -4.480458     -0.167394      1.087896
  O      -5.277114     -0.615482      1.889751
  C      -1.450757     -2.315992      2.014703
  C      -0.525043     -2.598765      0.991325
  C       0.810810     -2.224837      1.130256
  C       1.245208     -1.542029      2.281966
  C       0.310542     -1.258643      3.277644
  F       0.711376     -0.597211      4.401156
  C      -1.019060     -1.633276      3.166899
  C      -6.568626     -4.685126      4.062316
  C      -6.690943     -3.690653      2.862254
  C      -7.828513     -2.722881      2.995202
  S      -9.147081     -2.683028      1.975030
  C      -7.754142     -1.699215      4.046676
  O      -6.808221     -1.554424      4.823184
  C      -7.827870     -5.483081      4.336263
  C      -8.114096     -5.826639      5.666408
  C      -9.244071     -6.587766      5.974774
  C     -10.108812     -7.020505      4.961146
  C      -9.807045     -6.668553      3.648378
  F     -10.641035     -7.080410      2.648014
  C      -8.689614     -5.911523      3.311803
  C      -1.167049     -4.840304      6.141329
  C      -1.733649     -5.429927      7.468612
  C      -3.209522     -5.286797      7.669976
  S      -4.333612     -5.890449      6.595969
  C      -3.666800     -4.582719      8.864238
  O      -4.849438     -4.387246      9.230600
  C       0.357552     -4.866318      6.081825
  C       0.988768     -4.268730      4.969361
  C       2.375509     -4.239395      4.857045
  C       3.167036     -4.809064      5.846974
  C       2.522285     -5.411754      6.935811
  F       3.268142     -5.986729      7.913305
  C       1.139741     -5.452635      7.074866
  H      -3.431924     -2.183019      2.734012
  H      -4.642699     -2.805772      0.749321
  H      -3.141361     -3.015381     -0.188260
  H      -4.376498      0.923128      0.855234
  H      -0.843260     -3.088112      0.063479
  H       1.525198     -2.452859      0.325245
  H       2.277499     -1.230436      2.407325
  H      -1.733235     -1.403413      3.973355
  H      -6.398550     -4.072858      4.953323
  H      -5.732894     -3.108930      2.844181
  H      -6.770140     -4.258069      1.914860
  H      -8.627567     -1.021301      4.098011
  H      -7.436114     -5.496485      6.462581
  H      -9.458754     -6.845230      7.016708
  H     -11.001656     -7.611749      5.175409
  H      -8.520006     -5.649960      2.263409
  H      -1.462683     -3.781425      6.105997
  H      -1.456523     -6.492830      7.508454
  H      -1.221122     -4.939962      8.302729
  H      -2.820803     -4.212080      9.465963
  H       0.372974     -3.821559      4.191190
  H       2.852578     -3.760406      3.992881
  H       4.254015     -4.797944      5.784586
  H       0.706928     -5.942905      7.960075
  N      -3.814425     -3.292351      4.969992
  N      -4.194430     -2.178272      5.488374
  H      -3.597963     -1.727883      6.137469
  H      -5.164154     -1.828341      5.260244
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.725598340197
  N      -3.010633     -4.160734      2.385124
  C      -2.759879     -5.141681      1.333614
  C      -2.263498     -6.441012      1.940361
  N      -3.108588     -6.807122      3.105024
  C      -4.411293     -7.394388      2.694446
  C      -5.495169     -6.949861      3.664145
  N      -5.362312     -5.519544      3.878059
  Mo     -3.488281     -4.846849      4.203251
  N      -1.755544     -5.479761      4.977780
  C      -1.289903     -6.844306      4.745944
  C      -2.385388     -7.662008      4.075338
  H      -1.019144     -7.340016      5.695462
  H      -0.363855     -6.832094      4.140017
  H      -3.118118     -7.976198      4.830749
  H      -1.978254     -8.560657      3.577293
  H      -6.481547     -7.209604      3.255228
  H      -5.402961     -7.494959      4.626896
  H      -4.648879     -7.009872      1.693814
  H      -4.331367     -8.492561      2.634527
  H      -1.991931     -4.791119      0.626101
  H      -3.680611     -5.314458      0.740355
  H      -1.239517     -6.291957      2.305069
  H      -2.254613     -7.259028      1.199577
  C      -2.894642     -2.754436      1.986512
  C      -3.596956     -2.469732      0.621790
  C      -3.607173     -1.013980      0.288366
  S      -2.637464     -0.302252     -0.839479
  C      -4.557829     -0.148876      1.034142
  O      -5.360405     -0.574749      1.852552
  C      -1.446613     -2.300033      2.036663
  C      -0.516104     -2.565109      1.021282
  C       0.818707     -2.190888      1.169319
  C       1.251528     -1.532021      2.322361
  C       0.310632     -1.257770      3.308777
  F       0.707536     -0.613204      4.436814
  C      -1.020465     -1.628389      3.188990
  C      -6.559671     -4.680829      4.057274
  C      -6.689502     -3.695357      2.849714
  C      -7.821144     -2.725395      2.971831
  S      -9.140011     -2.689676      1.967591
  C      -7.751087     -1.699858      4.021834
  O      -6.807073     -1.549297      4.812420
  C      -7.814003     -5.482695      4.337981
  C      -8.100576     -5.824974      5.667397
  C      -9.225528     -6.590687      5.975764
  C     -10.084919     -7.029651      4.963841
  C      -9.783217     -6.678326      3.651904
  F     -10.610569     -7.095413      2.652679
  C      -8.670911     -5.916850      3.315609
  C      -1.171807     -4.839774      6.154492
  C      -1.740565     -5.429394      7.483430
  C      -3.213882     -5.266987      7.673378
  S      -4.349344     -5.882687      6.586939
  C      -3.661627     -4.535689      8.860907
  O      -4.828568     -4.309462      9.185869
  C       0.353623     -4.880613      6.078380
  C       0.966364     -4.301615      4.958031
  C       2.352906     -4.301241      4.825061
  C       3.164868     -4.887509      5.803288
  C       2.539692     -5.460342      6.899033
  F       3.306214     -6.042195      7.864268
  C       1.156757     -5.471209      7.059329
  H      -3.440023     -2.170371      2.738023
  H      -4.635752     -2.818078      0.731664
  H      -3.115664     -3.026925     -0.189759
  H      -4.495824      0.933702      0.773302
  H      -0.829928     -3.036991      0.090739
  H       1.533477     -2.402948      0.369468
  H       2.287493     -1.227745      2.456124
  H      -1.731530     -1.398934      3.988206
  H      -6.383215     -4.061792      4.946016
  H      -5.749119     -3.121947      2.822952
  H      -6.769419     -4.264580      1.916259
  H      -8.631907     -1.019163      4.065045
  H      -7.427068     -5.491556      6.461406
  H      -9.439978     -6.847284      7.015268
  H     -10.972740     -7.624442      5.177569
  H      -8.501887     -5.656678      2.269219
  H      -1.460836     -3.778494      6.119634
  H      -1.473763     -6.499766      7.521105
  H      -1.220836     -4.939072      8.322583
  H      -2.819141     -4.170933      9.501780
  H       0.339224     -3.848279      4.186914
  H       2.810762     -3.836421      3.953116
  H       4.252286     -4.902104      5.725665
  H       0.739548     -5.940645      7.948848
  N      -3.816233     -3.288223      4.977294
  N      -4.213524     -2.182399      5.498508
  H      -3.619830     -1.708967      6.177813
  H      -5.173241     -1.847362      5.265423
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.723108657725
  N      -3.010300     -4.187814      2.383475
  C      -2.770047     -5.171773      1.329427
  C      -2.271337     -6.473628      1.933879
  N      -3.112709     -6.839751      3.103751
  C      -4.420025     -7.430140      2.698954
  C      -5.499977     -6.979463      3.673479
  N      -5.359594     -5.544820      3.879237
  Mo     -3.486125     -4.877002      4.205589
  N      -1.752043     -5.518912      4.980218
  C      -1.287607     -6.881828      4.744029
  C      -2.383621     -7.696782      4.068362
  H      -1.020268     -7.381013      5.690918
  H      -0.362458     -6.868021      4.139956
  H      -3.114207     -8.019403      4.820845
  H      -1.971426     -8.589522      3.566496
  H      -6.492170     -7.242252      3.273745
  H      -5.399641     -7.515531      4.642527
  H      -4.660412     -7.050077      1.696940
  H      -4.341945     -8.528994      2.643566
  H      -2.006734     -4.821779      0.614446
  H      -3.698867     -5.343874      0.748293
  H      -1.244935     -6.325361      2.293688
  H      -2.267779     -7.291563      1.192465
  C      -2.894568     -2.777672      1.984933
  C      -3.604248     -2.485511      0.630938
  C      -3.615272     -1.027054      0.306471
  S      -2.642211     -0.298797     -0.820180
  C      -4.574897     -0.174212      1.065224
  O      -5.390813     -0.619937      1.887413
  C      -1.439843     -2.305577      2.041748
  C      -0.496049     -2.529676      1.026672
  C       0.835940     -2.115524      1.189335
  C       1.259969     -1.470421      2.355751
  C       0.305509     -1.239690      3.337573
  F       0.683711     -0.596455      4.484222
  C      -1.025184     -1.635869      3.202819
  C      -6.549422     -4.686533      4.046920
  C      -6.656869     -3.710249      2.821196
  C      -7.773076     -2.734402      2.942961
  S      -9.075434     -2.680368      1.925523
  C      -7.713644     -1.724041      4.009959
  O      -6.785873     -1.573168      4.805293
  C      -7.816252     -5.466644      4.346145
  C      -8.128208     -5.772389      5.672693
  C      -9.276118     -6.503279      5.985164
  C     -10.131256     -6.944341      4.982104
  C      -9.802033     -6.631043      3.674136
  F     -10.624798     -7.048875      2.683008
  C      -8.668714     -5.905349      3.333563
  C      -1.169615     -4.883430      6.153988
  C      -1.740391     -5.465656      7.479805
  C      -3.213671     -5.290145      7.658826
  S      -4.356848     -5.913598      6.580383
  C      -3.643890     -4.529243      8.806960
  O      -4.807126     -4.279233      9.136538
  C       0.356538     -4.917191      6.070525
  C       0.960397     -4.310667      4.947707
  C       2.345721     -4.245031      4.813947
  C       3.164953     -4.797598      5.791903
  C       2.548596     -5.417830      6.887932
  F       3.321197     -5.961128      7.853062
  C       1.167600     -5.491141      7.050098
  H      -3.434216     -2.204496      2.743523
  H      -4.640273     -2.840905      0.749569
  H      -3.133084     -3.028227     -0.191945
  H      -4.505387      0.909492      0.815529
  H      -0.801592     -2.984115      0.083005
  H       1.550593     -2.277573      0.390412
  H       2.294439     -1.134653      2.502762
  H      -1.730965     -1.420575      3.995931
  H      -6.367790     -4.045241      4.927985
  H      -5.700903     -3.161845      2.800155
  H      -6.739943     -4.265342      1.870068
  H      -8.583076     -1.048707      4.050319
  H      -7.460658     -5.433762      6.460625
  H      -9.512255     -6.728782      7.021234
  H     -11.037448     -7.510316      5.199870
  H      -8.482568     -5.672020      2.291632
  H      -1.457764     -3.825108      6.118629
  H      -1.481588     -6.536848      7.521541
  H      -1.220753     -4.975666      8.318479
  H      -2.786227     -4.151907      9.439000
  H       0.332384     -3.881049      4.176257
  H       2.795162     -3.741176      3.940420
  H       4.250108     -4.750994      5.714521
  H       0.757917     -5.978826      7.940504
  N      -3.814530     -3.324278      4.973574
  N      -4.220006     -2.224692      5.489505
  H      -3.625445     -1.739434      6.174494
  H      -5.176498     -1.902033      5.269554
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.725725550268
  N      -3.005910     -4.170797      2.382094
  C      -2.757640     -5.152759      1.330194
  C      -2.260592     -6.452508      1.937433
  N      -3.105401     -6.818262      3.103179
  C      -4.408966     -7.407338      2.694114
  C      -5.492480     -6.962105      3.665159
  N      -5.357946     -5.530004      3.875262
  Mo     -3.484174     -4.856407      4.200883
  N      -1.752420     -5.490927      4.977773
  C      -1.287625     -6.854753      4.747443
  C      -2.380982     -7.672502      4.073492
  H      -1.021311     -7.350771      5.696302
  H      -0.360508     -6.842810      4.145781
  H      -3.113194     -7.989836      4.826728
  H      -1.970946     -8.568553      3.575415
  H      -6.480735     -7.224559      3.259261
  H      -5.396905     -7.503991      4.630593
  H      -4.646959     -7.023988      1.693143
  H      -4.329083     -8.505599      2.635216
  H      -1.990573     -4.802739      0.620373
  H      -3.680284     -5.325725      0.739716
  H      -1.236332     -6.303353      2.301492
  H      -2.252220     -7.270711      1.196847
  C      -2.893539     -2.762770      1.983936
  C      -3.598461     -2.477946      0.621577
  C      -3.617142     -1.020204      0.303693
  S      -2.654515     -0.288552     -0.817677
  C      -4.573706     -0.171087      1.061277
  O      -5.374055     -0.613620      1.878005
  C      -1.444245     -2.298862      2.037849
  C      -0.509266     -2.547930      1.023686
  C       0.824569     -2.159259      1.178095
  C       1.253483     -1.505976      2.335970
  C       0.307553     -1.246312      3.319704
  F       0.697531     -0.602227      4.453624
  C      -1.023275     -1.626228      3.193435
  C      -6.552331     -4.683104      4.051154
  C      -6.675646     -3.702698      2.836196
  C      -7.802055     -2.728614      2.954477
  S      -9.116391     -2.689315      1.938092
  C      -7.738800     -1.708410      4.012736
  O      -6.801448     -1.557707      4.803928
  C      -7.812219     -5.476013      4.341241
  C      -8.109222     -5.798544      5.672017
  C      -9.244275     -6.548924      5.985343
  C     -10.102859     -6.992390      4.977582
  C      -9.790154     -6.661209      3.664773
  F     -10.616884     -7.081967      2.669444
  C      -8.668364     -5.915281      3.323511
  C      -1.171844     -4.849480      6.153026
  C      -1.743221     -5.438665      7.479243
  C      -3.216203     -5.272545      7.664233
  S      -4.352127     -5.890250      6.582121
  C      -3.661126     -4.535250      8.845488
  O      -4.826806     -4.302799      9.170189
  C       0.353261     -4.887692      6.075708
  C       0.961770     -4.304914      4.954205
  C       2.347836     -4.291448      4.818874
  C       3.163636     -4.873007      5.796018
  C       2.542723     -5.453455      6.892789
  F       3.313565     -6.030762      7.856736
  C       1.159950     -5.473784      7.055572
  H      -3.440986     -2.182714      2.738042
  H      -4.637161     -2.837335      0.729407
  H      -3.112932     -3.024582     -0.197024
  H      -4.518613      0.913720      0.812903
  H      -0.819775     -3.013920      0.089087
  H       1.540470     -2.353351      0.379337
  H       2.289360     -1.192827      2.475479
  H      -1.733023     -1.402045      3.989823
  H      -6.372198     -4.054580      4.936085
  H      -5.732327     -3.139527      2.807648
  H      -6.757983     -4.268398      1.900410
  H      -8.615097     -1.031276      4.054322
  H      -7.437685     -5.459965      6.463129
  H      -9.467695     -6.789013      7.025494
  H     -10.998897     -7.574664      5.195389
  H      -8.492608     -5.669222      2.276936
  H      -1.461963     -3.788995      6.117054
  H      -1.479052     -6.510404      7.515497
  H      -1.223830     -4.950161      8.320322
  H      -2.816770     -4.169460      9.487641
  H       0.332587     -3.859072      4.184132
  H       2.802041     -3.819106      3.946031
  H       4.250788     -4.877398      5.716789
  H       0.745803     -5.945470      7.945465
  N      -3.815660     -3.298232      4.973562
  N      -4.217142     -2.191993      5.491996
  H      -3.625641     -1.715160      6.170664
  H      -5.179307     -1.862003      5.263310
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.724707324917
  N      -3.026027     -4.151249      2.387042
  C      -2.791640     -5.133650      1.332183
  C      -2.281461     -6.429778      1.933477
  N      -3.115327     -6.800670      3.105995
  C      -4.418389     -7.394195      2.705058
  C      -5.495300     -6.943661      3.680350
  N      -5.363834     -5.513151      3.880635
  Mo     -3.494758     -4.838500      4.208756
  N      -1.759183     -5.469856      4.976034
  C      -1.286103     -6.831308      4.735304
  C      -2.380190     -7.653333      4.069005
  H      -1.005938     -7.327390      5.684321
  H      -0.363075     -6.810951      4.123019
  H      -3.105584     -7.974776      4.829617
  H      -1.972814     -8.548439      3.565301
  H      -6.482855     -7.213134      3.285468
  H      -5.390211     -7.477859      4.647300
  H      -4.665086     -7.013024      1.704381
  H      -4.335606     -8.493149      2.648494
  H      -2.039126     -4.782070      0.609285
  H      -3.723441     -5.312812      0.758034
  H      -1.254416     -6.274287      2.289093
  H      -2.274120     -7.246779      1.190979
  C      -2.888634     -2.749006      1.982292
  C      -3.597033     -2.455648      0.626784
  C      -3.609419     -1.002169      0.294478
  S      -2.629788     -0.279784     -0.825042
  C      -4.579773     -0.145902      1.028934
  O      -5.390433     -0.578359      1.837311
  C      -1.439995     -2.317900      2.022828
  C      -0.514051     -2.599892      1.004491
  C       0.823872     -2.243790      1.149429
  C       1.265046     -1.582951      2.300433
  C       0.329390     -1.290418      3.288351
  F       0.733149     -0.642941      4.415523
  C      -1.003299     -1.649699      3.171826
  C      -6.561645     -4.677461      4.054543
  C      -6.692857     -3.689693      2.851538
  C      -7.826127     -2.725197      2.980667
  S      -9.138063     -2.679640      1.997218
  C      -7.758962     -1.705598      4.031956
  O      -6.817851     -1.547558      4.830486
  C      -7.812191     -5.484543      4.327328
  C      -8.100975     -5.837200      5.652740
  C      -9.222295     -6.609653      5.951978
  C     -10.076323     -7.045593      4.934277
  C      -9.773037     -6.683233      3.625690
  F     -10.594667     -7.096442      2.620123
  C      -8.664255     -5.914593      3.298733
  C      -1.175219     -4.841946      6.158601
  C      -1.740327     -5.442512      7.483437
  C      -3.209847     -5.259944      7.684338
  S      -4.354012     -5.851760      6.588250
  C      -3.641174     -4.523014      8.873462
  O      -4.801607     -4.273270      9.199997
  C       0.351521     -4.880609      6.085102
  C       0.972975     -4.280639      4.974119
  C       2.360902     -4.268314      4.850572
  C       3.165287     -4.856762      5.827969
  C       2.531891     -5.448806      6.912827
  F       3.288672     -6.024193      7.879064
  C       1.149078     -5.478844      7.064119
  H      -3.419411     -2.157860      2.730676
  H      -4.625156     -2.799901      0.752167
  H      -3.129199     -3.012170     -0.182145
  H      -4.524991      0.938580      0.771553
  H      -0.832422     -3.071682      0.073887
  H       1.536202     -2.471941      0.348234
  H       2.303499     -1.292419      2.431730
  H      -1.707058     -1.411697      3.974896
  H      -6.390830     -4.065039      4.945997
  H      -5.752542     -3.107674      2.830410
  H      -6.767865     -4.255901      1.912844
  H      -8.651469     -1.026234      4.075457
  H      -7.431113     -5.507350      6.451323
  H      -9.438009     -6.874879      6.988805
  H     -10.960754     -7.645996      5.140429
  H      -8.493298     -5.646604      2.254308
  H      -1.466744     -3.783390      6.131367
  H      -1.485667     -6.514947      7.505891
  H      -1.209054     -4.967780      8.324309
  H      -2.792591     -4.178859      9.521177
  H       0.351432     -3.819569      4.200584
  H       2.823316     -3.786058      3.985379
  H       4.252850     -4.856277      5.758023
  H       0.726357     -5.960667      7.947398
  N      -3.816479     -3.282545      4.982722
  N      -4.201586     -2.181479      5.512206
  H      -3.604398     -1.728980      6.205916
  H      -5.159248     -1.848530      5.303247
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.725724250460
  N      -3.010055     -4.160384      2.387476
  C      -2.760274     -5.141945      1.336137
  C      -2.264742     -6.442391      1.942605
  N      -3.111145     -6.810096      3.105885
  C      -4.413032     -7.397549      2.692882
  C      -5.495463     -6.955282      3.664438
  N      -5.363367     -5.524212      3.877638
  Mo     -3.492182     -4.849822      4.205333
  N      -1.757840     -5.486481      4.980918
  C      -1.293058     -6.851809      4.748261
  C      -2.388201     -7.667316      4.074368
  H      -1.025516     -7.349536      5.697538
  H      -0.365931     -6.840573      4.144518
  H      -3.121808     -7.984809      4.826728
  H      -1.978609     -8.563460      3.574659
  H      -6.482938     -7.216082      3.259028
  H      -5.398917     -7.498491      4.627355
  H      -4.650383     -7.010748      1.693127
  H      -4.332778     -8.495470      2.630868
  H      -1.992219     -4.791722      0.628196
  H      -3.681851     -5.313566      0.744426
  H      -1.241498     -6.294249      2.308891
  H      -2.255579     -7.259726      1.201395
  C      -2.893040     -2.753474      1.988532
  C      -3.591758     -2.465786      0.619198
  C      -3.596628     -1.008455      0.285617
  S      -2.618383     -0.292165     -0.836966
  C      -4.549175     -0.146741      1.028114
  O      -5.358445     -0.577351      1.842991
  C      -1.441176     -2.298368      2.042541
  C      -0.508965     -2.554724      1.027573
  C       0.825065     -2.175285      1.178723
  C       1.256796     -1.522096      2.334784
  C       0.313682     -1.255775      3.319555
  F       0.708470     -0.615212      4.450630
  C      -1.017321     -1.628691      3.196981
  C      -6.560573     -4.687033      4.057777
  C      -6.690494     -3.703836      2.849064
  C      -7.823873     -2.735997      2.968552
  S      -9.141865     -2.703194      1.957683
  C      -7.760893     -1.713491      4.020697
  O      -6.819891     -1.559248      4.811381
  C      -7.815759     -5.486980      4.341018
  C      -8.105935     -5.822581      5.670451
  C      -9.234812     -6.582270      5.979603
  C     -10.093930     -7.021644      4.968962
  C      -9.788157     -6.677235      3.657114
  F     -10.615506     -7.094602      2.659364
  C      -8.672406     -5.922112      3.319994
  C      -1.171090     -4.846537      6.156027
  C      -1.740160     -5.433672      7.486099
  C      -3.212492     -5.260664      7.672752
  S      -4.355229     -5.877954      6.591674
  C      -3.648634     -4.511284      8.844454
  O      -4.814851     -4.272178      9.171006
  C       0.353946     -4.888623      6.075135
  C       0.963022     -4.306542      4.952966
  C       2.349103     -4.300113      4.816578
  C       3.163945     -4.881638      5.792255
  C       2.542030     -5.462367      6.889555
  F       3.311661     -6.039763      7.852052
  C       1.159422     -5.480317      7.053543
  H      -3.439541     -2.169643      2.740804
  H      -4.632879     -2.812746      0.726615
  H      -3.109307     -3.019707     -0.194445
  H      -4.485172      0.935644      0.766662
  H      -0.821791     -3.021040      0.094298
  H       1.539245     -2.377596      0.379292
  H       2.292949     -1.215969      2.472210
  H      -1.727083     -1.400535      3.994806
  H      -6.383154     -4.065467      4.945560
  H      -5.749333     -3.129481      2.822671
  H      -6.768954     -4.274377      1.914005
  H      -8.642909     -1.037787      4.063707
  H      -7.432967     -5.488056      6.463560
  H      -9.452686     -6.833224      7.018823
  H     -10.984844     -7.611234      5.183595
  H      -8.500885     -5.666298      2.274039
  H      -1.457340     -3.784147      6.122750
  H      -1.480198     -6.507487      7.522791
  H      -1.216805     -4.945744      8.326713
  H      -2.796952     -4.143676      9.476050
  H       0.335123     -3.856172      4.182839
  H       2.804205     -3.830861      3.943501
  H       4.250969     -4.888650      5.711741
  H       0.744597     -5.953694      7.943901
  N      -3.820101     -3.291665      4.975788
  N      -4.219140     -2.187224      5.494367
  H      -3.627612     -1.713021      6.181910
  H      -5.178539     -1.855770      5.269438
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.723303174778
  N      -3.001040     -4.180057      2.379778
  C      -2.759396     -5.161708      1.324442
  C      -2.254046     -6.460740      1.926831
  N      -3.092596     -6.825545      3.098013
  C      -4.402920     -7.413036      2.701613
  C      -5.478951     -6.965156      3.683831
  N      -5.341176     -5.532021      3.886741
  Mo     -3.460883     -4.865978      4.200855
  N      -1.734480     -5.495477      4.969505
  C      -1.267526     -6.857101      4.736168
  C      -2.362464     -7.676834      4.065900
  H      -0.997330     -7.352046      5.683899
  H      -0.341965     -6.842294      4.133048
  H      -3.088831     -7.992606      4.825383
  H      -1.959292     -8.574224      3.566422
  H      -6.471898     -7.234596      3.287943
  H      -5.371780     -7.506488      4.651228
  H      -4.651500     -7.026693      1.704363
  H      -4.325265     -8.511265      2.638374
  H      -2.000975     -4.810570      0.605908
  H      -3.687289     -5.338911      0.741562
  H      -1.226796     -6.309137      2.285037
  H      -2.247067     -7.278001      1.184002
  C      -2.890390     -2.772613      1.974615
  C      -3.606383     -2.513693      0.617187
  C      -3.675112     -1.062208      0.297855
  S      -2.742682     -0.320009     -0.815710
  C      -4.700733     -0.230394      1.026953
  O      -5.506518     -0.680575      1.829842
  C      -1.446158     -2.298886      2.025633
  C      -0.502649     -2.539476      1.014336
  C       0.836055     -2.143890      1.183859
  C       1.261053     -1.495675      2.350901
  C       0.306831     -1.240622      3.329619
  F       0.688506     -0.594610      4.472949
  C      -1.028224     -1.623697      3.186758
  C      -6.529513     -4.666568      4.059516
  C      -6.634935     -3.676476      2.846680
  C      -7.760240     -2.708273      2.966274
  S      -9.060920     -2.661801      1.940860
  C      -7.721216     -1.700374      4.050852
  O      -6.797048     -1.537044      4.843841
  C      -7.801681     -5.447565      4.343681
  C      -8.123554     -5.762228      5.668405
  C      -9.272051     -6.498282      5.969163
  C     -10.118745     -6.936286      4.953959
  C      -9.780417     -6.614093      3.648116
  F     -10.594425     -7.028307      2.644435
  C      -8.645549     -5.881956      3.319382
  C      -1.164943     -4.857152      6.148813
  C      -1.740454     -5.451985      7.464325
  C      -3.211186     -5.288285      7.658276
  S      -4.335354     -5.885600      6.577586
  C      -3.666425     -4.579189      8.863255
  O      -4.828899     -4.345117      9.193225
  C       0.360244     -4.890013      6.081988
  C       0.974530     -4.299351      4.968358
  C       2.361556     -4.279273      4.836582
  C       3.173363     -4.870084      5.812445
  C       2.547863     -5.457399      6.902525
  F       3.314214     -6.044198      7.866814
  C       1.164210     -5.478317      7.060839
  H      -3.443708     -2.186295      2.721831
  H      -4.629040     -2.902084      0.733556
  H      -3.105436     -3.060600     -0.196929
  H      -4.690348      0.854307      0.775868
  H      -0.808674     -2.999817      0.072994
  H       1.558817     -2.327343      0.388994
  H       2.299790     -1.178576      2.501487
  H      -1.744690     -1.405428      3.978724
  H      -6.348576     -4.040672      4.949665
  H      -5.696819     -3.117296      2.829340
  H      -6.706898     -4.220346      1.903719
  H      -8.609990     -1.039749      4.095650
  H      -7.462901     -5.426525      6.465928
  H      -9.515665     -6.730955      7.005088
  H     -11.025715     -7.507203      5.161314
  H      -8.450628     -5.642261      2.277111
  H      -1.465137     -3.802847      6.108614
  H      -1.477614     -6.515066      7.495645
  H      -1.221693     -4.971581      8.298097
  H      -2.834458     -4.233870      9.526294
  H       0.345433     -3.851870      4.202158
  H       2.818833     -3.797481      3.968609
  H       4.261325     -4.874027      5.736846
  H       0.746972     -5.951913      7.946128
  N      -3.804975     -3.306849      4.974987
  N      -4.230418     -2.197714      5.480750
  H      -3.658602     -1.718079      6.152110
  H      -5.208521     -1.893161      5.244275
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.725698636040
  N      -3.010518     -4.166581      2.378314
  C      -2.764546     -5.149886      1.326577
  C      -2.263282     -6.448197      1.933603
  N      -3.105598     -6.815596      3.101179
  C      -4.409608     -7.406461      2.695157
  C      -5.490154     -6.963480      3.670762
  N      -5.356866     -5.531201      3.876578
  Mo     -3.482221     -4.853295      4.199392
  N      -1.750744     -5.487662      4.975087
  C      -1.285549     -6.851087      4.744343
  C      -2.379328     -7.669086      4.071054
  H      -1.018752     -7.346756      5.693761
  H      -0.358111     -6.838786      4.142309
  H      -3.110783     -7.986570      4.825959
  H      -1.970393     -8.565708      3.572291
  H      -6.479595     -7.230703      3.270469
  H      -5.387598     -7.502906      4.637552
  H      -4.651813     -7.020945      1.695783
  H      -4.328088     -8.504344      2.633384
  H      -2.000527     -4.799989      0.613176
  H      -3.689024     -5.325304      0.739240
  H      -1.238532     -6.296429      2.296002
  H      -2.253976     -7.266279      1.192660
  C      -2.892422     -2.759521      1.978694
  C      -3.597441     -2.469213      0.620507
  C      -3.621166     -1.009915      0.315799
  S      -2.638758     -0.257195     -0.784216
  C      -4.587280     -0.177591      1.068526
  O      -5.394636     -0.635510      1.870723
  C      -1.443802     -2.300973      2.029579
  C      -0.509278     -2.555398      1.015766
  C       0.824636     -2.171671      1.170661
  C       1.253601     -1.516004      2.327939
  C       0.308180     -1.250492      3.310829
  F       0.697621     -0.602950      4.444286
  C      -1.021961     -1.628210      3.184204
  C      -6.550617     -4.682003      4.052305
  C      -6.673355     -3.699189      2.838174
  C      -7.802339     -2.728787      2.956145
  S      -9.111525     -2.688758      1.940538
  C      -7.748063     -1.711699      4.017010
  O      -6.813359     -1.551536      4.811647
  C      -7.810165     -5.476069      4.341008
  C      -8.110579     -5.795562      5.672222
  C      -9.243939     -6.549074      5.984455
  C     -10.097114     -6.999393      4.974826
  C      -9.781056     -6.671392      3.661273
  F     -10.602192     -7.099215      2.664014
  C      -8.660972     -5.921991      3.321221
  C      -1.170796     -4.847123      6.151728
  C      -1.742846     -5.436725      7.477656
  C      -3.214527     -5.261836      7.665528
  S      -4.356591     -5.873618      6.582596
  C      -3.654334     -4.520603      8.851126
  O      -4.815615     -4.276339      9.168930
  C       0.354073     -4.887163      6.078524
  C       0.967706     -4.301158      4.961279
  C       2.353612     -4.294445      4.829696
  C       3.164100     -4.886197      5.806230
  C       2.538367     -5.467158      6.898761
  F       3.303716     -6.053432      7.862304
  C       1.155869     -5.480795      7.057839
  H      -3.434620     -2.178499      2.731581
  H      -4.633217     -2.836453      0.726919
  H      -3.109525     -3.005012     -0.199616
  H      -4.527484      0.910517      0.832696
  H      -0.819412     -3.022761      0.081147
  H       1.541095     -2.371390      0.372539
  H       2.288870     -1.204635      2.467565
  H      -1.731266     -1.399239      3.980597
  H      -6.370580     -4.054575      4.938847
  H      -5.731796     -3.133196      2.814366
  H      -6.750318     -4.261806      1.898777
  H      -8.630053     -1.041770      4.057605
  H      -7.443064     -5.452229      6.464790
  H      -9.469840     -6.786761      7.024991
  H     -10.991385     -7.584639      5.191552
  H      -8.481848     -5.679252      2.274106
  H      -1.460735     -3.786746      6.114942
  H      -1.484047     -6.509812      7.510938
  H      -1.218545     -4.952355      8.318564
  H      -2.810303     -4.164445      9.503531
  H       0.342152     -3.847872      4.191106
  H       2.811646     -3.820562      3.959990
  H       4.250943     -4.897008      5.729817
  H       0.737804     -5.954051      7.944754
  N      -3.818202     -3.293563      4.967098
  N      -4.225752     -2.187622      5.480566
  H      -3.640394     -1.712712      6.167073
  H      -5.192056     -1.865743      5.252886
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.723816316564
  N      -2.994396     -4.151844      2.400492
  C      -2.737125     -5.130636      1.349900
  C      -2.254838     -6.436195      1.955132
  N      -3.110289     -6.803319      3.109832
  C      -4.410118     -7.382283      2.685258
  C      -5.493512     -6.941874      3.653642
  N      -5.363507     -5.512996      3.878463
  Mo     -3.494843     -4.847250      4.212233
  N      -1.760760     -5.490806      4.990342
  C      -1.301701     -6.860092      4.757764
  C      -2.398305     -7.668321      4.079210
  H      -1.039308     -7.359971      5.706911
  H      -0.373641     -6.854352      4.156387
  H      -3.139126     -7.982821      4.825469
  H      -1.989274     -8.566514      3.580705
  H      -6.478207     -7.193035      3.243560
  H      -5.402960     -7.491130      4.609360
  H      -4.640568     -6.988256      1.687248
  H      -4.333804     -8.480634      2.617875
  H      -1.960968     -4.780779      0.652732
  H      -3.652550     -5.294706      0.749161
  H      -1.234051     -6.296446      2.329014
  H      -2.246935     -7.251790      1.212548
  C      -2.884259     -2.746370      2.001311
  C      -3.584134     -2.469486      0.624038
  C      -3.601359     -1.011536      0.275448
  S      -2.669650     -0.312431     -0.865791
  C      -4.591046     -0.138917      1.003185
  O      -5.397268     -0.556759      1.822962
  C      -1.430213     -2.291639      2.053012
  C      -0.504939     -2.553780      1.032888
  C       0.827398     -2.177661      1.173129
  C       1.265877     -1.520757      2.324683
  C       0.331002     -1.254016      3.315699
  F       0.736478     -0.618665      4.440388
  C      -0.998983     -1.624455      3.204784
  C      -6.566654     -4.691321      4.060376
  C      -6.706283     -3.708641      2.858958
  C      -7.846915     -2.745227      2.976910
  S      -9.169541     -2.719024      1.967350
  C      -7.779101     -1.715967      4.017367
  O      -6.831723     -1.564077      4.811955
  C      -7.819241     -5.494286      4.334037
  C      -8.110116     -5.835597      5.661348
  C      -9.240748     -6.593292      5.965010
  C     -10.102133     -7.022362      4.951423
  C      -9.796230     -6.671051      3.641483
  F     -10.627458     -7.077185      2.641636
  C      -8.677936     -5.919427      3.309526
  C      -1.164420     -4.853847      6.164497
  C      -1.733525     -5.434618      7.497848
  C      -3.204811     -5.256273      7.685508
  S      -4.351257     -5.865808      6.609483
  C      -3.630895     -4.501661      8.841390
  O      -4.804061     -4.267886      9.190987
  C       0.361119     -4.901701      6.078740
  C       0.970391     -4.320576      4.953527
  C       2.357063     -4.316356      4.815618
  C       3.171285     -4.885677      5.790835
  C       2.547931     -5.469584      6.891344
  F       3.315641     -6.029534      7.853962
  C       1.165347     -5.495166      7.057159
  H      -3.435091     -2.157837      2.752992
  H      -4.623672     -2.816580      0.733309
  H      -3.101279     -3.029703     -0.188898
  H      -4.574573      0.936115      0.717680
  H      -0.823440     -3.023910      0.102451
  H       1.535650     -2.386809      0.369304
  H       2.300290     -1.214792      2.453906
  H      -1.707301     -1.397758      4.006806
  H      -6.395313     -4.080533      4.950445
  H      -5.765498     -3.122287      2.826674
  H      -6.787534     -4.289615      1.931035
  H      -8.668634     -1.036828      4.062151
  H      -7.435714     -5.507505      6.457066
  H      -9.459506     -6.849389      7.002902
  H     -10.995149     -7.608852      5.162376
  H      -8.506735     -5.656018      2.264720
  H      -1.442573     -3.788957      6.135764
  H      -1.479205     -6.508411      7.538693
  H      -1.208680     -4.947372      8.335745
  H      -2.765900     -4.128002      9.429958
  H       0.343883     -3.867526      4.182823
  H       2.813841     -3.850191      3.940398
  H       4.258494     -4.884983      5.708402
  H       0.750322     -5.969749      7.950244
  N      -3.814033     -3.289202      4.982830
  N      -4.200745     -2.183447      5.499268
  H      -3.602720     -1.714629      6.188558
  H      -5.155811     -1.843911      5.289834
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.725862636629
  N      -3.002984     -4.162392      2.390113
  C      -2.749058     -5.142242      1.338747
  C      -2.256788     -6.444404      1.944565
  N      -3.106747     -6.811584      3.105068
  C      -4.408803     -7.396205      2.688943
  C      -5.491821     -6.955112      3.660666
  N      -5.359002     -5.524104      3.876133
  Mo     -3.489293     -4.852843      4.205257
  N      -1.757441     -5.490043      4.983043
  C      -1.294289     -6.855679      4.751956
  C      -2.388342     -7.669816      4.075311
  H      -1.030389     -7.353257      5.701370
  H      -0.365847     -6.845367      4.151626
  H      -3.123792     -7.985662      4.826337
  H      -1.980081     -8.566872      3.576646
  H      -6.479609     -7.214581      3.254337
  H      -5.395655     -7.501304      4.621897
  H      -4.644571     -7.004875      1.690819
  H      -4.329939     -8.494257      2.622827
  H      -1.978596     -4.791424      0.634125
  H      -3.667913     -5.312603      0.742466
  H      -1.233929     -6.299216      2.313302
  H      -2.247500     -7.260587      1.202014
  C      -2.891092     -2.755407      1.990020
  C      -3.595099     -2.474352      0.622828
  C      -3.602587     -1.019738      0.283033
  S      -2.622945     -0.311527     -0.842460
  C      -4.559661     -0.153193      1.017260
  O      -5.369308     -0.575881      1.835247
  C      -1.441387     -2.293928      2.040405
  C      -0.508761     -2.545764      1.025108
  C       0.825336     -2.157452      1.177307
  C       1.255773     -1.500845      2.333313
  C       0.312069     -1.238829      3.318067
  F       0.703923     -0.592796      4.449384
  C      -1.018453     -1.619613      3.194648
  C      -6.556791     -4.685419      4.056093
  C      -6.687894     -3.704376      2.846772
  C      -7.820785     -2.737170      2.968363
  S      -9.134923     -2.701296      1.957378
  C      -7.763663     -1.718788      4.026916
  O      -6.826103     -1.562908      4.818316
  C      -7.812534     -5.484866      4.341595
  C      -8.106870     -5.813176      5.671402
  C      -9.239099     -6.567423      5.982052
  C     -10.097676     -7.008378      4.972536
  C      -9.787717     -6.671257      3.660723
  F     -10.614848     -7.089245      2.663964
  C      -8.668540     -5.921860      3.322108
  C      -1.171867     -4.851090      6.158157
  C      -1.742624     -5.439628      7.485608
  C      -3.213840     -5.265766      7.674250
  S      -4.353621     -5.875715      6.591705
  C      -3.651779     -4.522672      8.854668
  O      -4.815831     -4.278641      9.180143
  C       0.353202     -4.894168      6.076771
  C       0.961728     -4.313429      4.953554
  C       2.348256     -4.307721      4.814468
  C       3.164272     -4.889986      5.789630
  C       2.543419     -5.469012      6.888055
  F       3.314624     -6.047217      7.849928
  C       1.160293     -5.485435      7.054360
  H      -3.438557     -2.169596      2.741534
  H      -4.632241     -2.819597      0.736642
  H      -3.114738     -3.034112     -0.188546
  H      -4.497501      0.927143      0.747316
  H      -0.821114     -3.013320      0.091803
  H       1.540571     -2.355201      0.377996
  H       2.290804     -1.185738      2.470356
  H      -1.729407     -1.394241      3.991089
  H      -6.378411     -4.063456      4.943732
  H      -5.747018     -3.131910      2.814427
  H      -6.770402     -4.273885      1.912559
  H      -8.650745     -1.047757      4.072365
  H      -7.435223     -5.476404      6.463949
  H      -9.460539     -6.812104      7.021493
  H     -10.991648     -7.593293      5.188138
  H      -8.494732     -5.670847      2.275984
  H      -1.459499     -3.789823      6.124860
  H      -1.484371     -6.511945      7.520624
  H      -1.218407     -4.954037      8.324629
  H      -2.804283     -4.162391      9.496571
  H       0.332686     -3.863229      4.184749
  H       2.802617     -3.839363      3.939924
  H       4.251704     -4.898107      5.707491
  H       0.746311     -5.957029      7.945410
  N      -3.821039     -3.293280      4.974627
  N      -4.219082     -2.184537      5.485974
  H      -3.629855     -1.711439      6.171599
  H      -5.182872     -1.857452      5.266156
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.725668784591
  N      -3.000923     -4.166224      2.377138
  C      -2.751209     -5.149497      1.325869
  C      -2.256379     -6.448989      1.935131
  N      -3.103670     -6.814610      3.099960
  C      -4.407874     -7.402148      2.688702
  C      -5.489455     -6.961752      3.664238
  N      -5.355233     -5.530043      3.874788
  Mo     -3.477374     -4.852113      4.197842
  N      -1.748353     -5.493025      4.976093
  C      -1.288260     -6.858512      4.749803
  C      -2.383280     -7.671467      4.072323
  H      -1.027576     -7.355328      5.701181
  H      -0.357800     -6.851645      4.150951
  H      -3.119258     -7.986948      4.823618
  H      -1.974375     -8.568992      3.574913
  H      -6.478433     -7.226325      3.261720
  H      -5.389187     -7.503067      4.630438
  H      -4.646916     -7.013005      1.689783
  H      -4.328016     -8.499919      2.623682
  H      -1.980699     -4.800981      0.618138
  H      -3.672603     -5.321650      0.732491
  H      -1.232311     -6.299991      2.301074
  H      -2.247298     -7.267395      1.194310
  C      -2.888676     -2.759273      1.979722
  C      -3.592847     -2.468187      0.623057
  C      -3.634126     -1.004877      0.331915
  S      -2.667893     -0.228554     -0.754435
  C      -4.634903     -0.192901      1.080078
  O      -5.442122     -0.670360      1.868585
  C      -1.440608     -2.298034      2.032332
  C      -0.503576     -2.555465      1.018738
  C       0.829113     -2.176123      1.172464
  C       1.255824     -1.520546      2.329499
  C       0.308166     -1.253193      3.312682
  F       0.696895     -0.610227      4.446358
  C      -1.020817     -1.628057      3.187185
  C      -6.547921     -4.680350      4.054589
  C      -6.669104     -3.694653      2.839736
  C      -7.799502     -2.727130      2.954689
  S      -9.105649     -2.690385      1.931450
  C      -7.751549     -1.709624      4.014601
  O      -6.817464     -1.542405      4.811520
  C      -7.808720     -5.472224      4.343429
  C      -8.107398     -5.793263      5.674559
  C      -9.240836     -6.546631      5.986588
  C     -10.095725     -6.994719      4.977122
  C      -9.781453     -6.665027      3.663448
  F     -10.603940     -7.091587      2.666431
  C      -8.661409     -5.915954      3.323547
  C      -1.165532     -4.848254      6.148884
  C      -1.738881     -5.431301      7.478623
  C      -3.211664     -5.254984      7.663775
  S      -4.356408     -5.873918      6.585225
  C      -3.650125     -4.501388      8.835843
  O      -4.814509     -4.261911      9.156981
  C       0.358634     -4.892023      6.077220
  C       0.975034     -4.304100      4.961592
  C       2.360069     -4.302073      4.832670
  C       3.166192     -4.896533      5.809552
  C       2.536916     -5.477157      6.900432
  F       3.297698     -6.063776      7.864169
  C       1.155420     -5.488977      7.056826
  H      -3.429506     -2.184888      2.734606
  H      -4.627744     -2.851904      0.721269
  H      -3.096189     -2.988867     -0.201217
  H      -4.604521      0.897300      0.851601
  H      -0.811414     -3.024706      0.084267
  H       1.547004     -2.380913      0.374181
  H       2.290053     -1.211398      2.468585
  H      -1.730207     -1.397139      3.984620
  H      -6.366862     -4.052970      4.942289
  H      -5.727863     -3.128346      2.820368
  H      -6.742445     -4.255340      1.897894
  H      -8.634602     -1.045830      4.052689
  H      -7.437879     -5.452279      6.466979
  H      -9.465043     -6.786180      7.027150
  H     -10.989743     -7.579994      5.193955
  H      -8.483201     -5.672054      2.276354
  H      -1.451372     -3.786412      6.109140
  H      -1.479833     -6.505238      7.516521
  H      -1.216494     -4.944092      8.319375
  H      -2.801279     -4.135040      9.467508
  H       0.352626     -3.844993      4.191568
  H       2.821651     -3.828470      3.964974
  H       4.252205     -4.909085      5.735054
  H       0.734142     -5.963695      7.942158
  N      -3.816097     -3.292259      4.961527
  N      -4.233218     -2.186247      5.466551
  H      -3.654851     -1.706743      6.155884
  H      -5.200227     -1.869789      5.232971
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.725943819100
  N      -3.000287     -4.164289      2.384086
  C      -2.747763     -5.145712      1.332817
  C      -2.255495     -6.447123      1.940322
  N      -3.105324     -6.812984      3.102295
  C      -4.408456     -7.398069      2.687249
  C      -5.490639     -6.957342      3.660967
  N      -5.356226     -5.526346      3.874997
  Mo     -3.483573     -4.852281      4.201500
  N      -1.753892     -5.492037      4.980210
  C      -1.292906     -6.858141      4.751470
  C      -2.387629     -7.671145      4.074014
  H      -1.031353     -7.355161      5.702204
  H      -0.363233     -6.850131      4.152337
  H      -3.124118     -7.985857      4.825176
  H      -1.980024     -8.569164      3.576117
  H      -6.479075     -7.218320      3.256314
  H      -5.392905     -7.501917      4.623974
  H      -4.645438     -7.006097      1.689279
  H      -4.329566     -8.496061      2.620141
  H      -1.976725     -4.796131      0.627278
  H      -3.667319     -5.316638      0.737049
  H      -1.231973     -6.301334      2.308200
  H      -2.246768     -7.264145      1.198238
  C      -2.888393     -2.757343      1.984264
  C      -3.592729     -2.474428      0.620369
  C      -3.619122     -1.016265      0.303758
  S      -2.645325     -0.275675     -0.802928
  C      -4.592820     -0.176025      1.046135
  O      -5.401983     -0.625222      1.850966
  C      -1.439764     -2.294071      2.036339
  C      -0.506182     -2.546090      1.021800
  C       0.825780     -2.156164      1.174189
  C       1.254319     -1.497050      2.330051
  C       0.310636     -1.236659      3.314499
  F       0.700405     -0.587419      4.446235
  C      -1.018124     -1.619991      3.190639
  C      -6.551908     -4.683095      4.055099
  C      -6.680966     -3.700797      2.843859
  C      -7.814684     -2.734799      2.963277
  S      -9.125442     -2.699476      1.947969
  C      -7.762756     -1.716429      4.021189
  O      -6.826690     -1.554007      4.816568
  C      -7.809532     -5.479288      4.342704
  C      -8.106618     -5.802267      5.673733
  C      -9.239870     -6.555109      5.986023
  C     -10.096324     -7.000550      4.976824
  C      -9.783447     -6.669022      3.663448
  F     -10.608010     -7.091971      2.666759
  C      -8.663474     -5.920572      3.323283
  C      -1.168824     -4.851099      6.154175
  C      -1.741585     -5.436528      7.482306
  C      -3.212492     -5.259423      7.669122
  S      -4.354277     -5.872545      6.588774
  C      -3.648959     -4.509453      8.844539
  O      -4.812132     -4.263432      9.167787
  C       0.355945     -4.896176      6.077831
  C       0.970008     -4.313643      4.958356
  C       2.356133     -4.312263      4.824639
  C       3.166004     -4.900908      5.801187
  C       2.539514     -5.480111      6.895868
  F       3.304110     -6.062958      7.859302
  C       1.156940     -5.491917      7.056819
  H      -3.435425     -2.175441      2.736494
  H      -4.628702     -2.839314      0.726602
  H      -3.102210     -3.016989     -0.196926
  H      -4.544172      0.908608      0.796813
  H      -0.816520     -3.015520      0.088121
  H       1.540645     -2.353404      0.375247
  H       2.287414     -1.178492      2.467064
  H      -1.728099     -1.393408      3.987527
  H      -6.371960     -4.059907      4.942510
  H      -5.740806     -3.128527      2.815055
  H      -6.760009     -4.267636      1.908079
  H      -8.651153     -1.049212      4.062898
  H      -7.436512     -5.462419      6.466008
  H      -9.463376     -6.795542      7.026540
  H     -10.990752     -7.584821      5.193660
  H      -8.487178     -5.674196      2.276155
  H      -1.454679     -3.789531      6.117820
  H      -1.484702     -6.509222      7.518894
  H      -1.217491     -4.950462      8.321265
  H      -2.800788     -4.147145      9.483380
  H       0.345442     -3.858687      4.188413
  H       2.815087     -3.842924      3.953008
  H       4.252919     -4.912828      5.723216
  H       0.738248     -5.964245      7.945091
  N      -3.818865     -3.292456      4.967035
  N      -4.224547     -2.184224      5.474881
  H      -3.640714     -1.709682      6.163441
  H      -5.190555     -1.863052      5.252410
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.725816715381
  N      -2.998425     -4.162099      2.389830
  C      -2.743462     -5.141179      1.338378
  C      -2.252185     -6.442763      1.945457
  N      -3.104648     -6.809558      3.104008
  C      -4.406500     -7.392482      2.685518
  C      -5.489608     -6.951408      3.657397
  N      -5.356776     -5.519879      3.872842
  Mo     -3.488924     -4.850691      4.203625
  N      -1.757507     -5.489193      4.982788
  C      -1.296183     -6.855274      4.755484
  C      -2.388974     -7.668312      4.075927
  H      -1.037522     -7.352728      5.706032
  H      -0.364970     -6.847602      4.159983
  H      -3.126031     -7.983821      4.824863
  H      -1.980291     -8.565287      3.578392
  H      -6.477247     -7.210982      3.251183
  H      -5.393596     -7.497542      4.618599
  H      -4.640420     -6.999382      1.687672
  H      -4.329096     -8.490614      2.617720
  H      -1.971607     -4.790536      0.635148
  H      -3.661079     -5.311288      0.740328
  H      -1.230806     -6.297048      2.316877
  H      -2.240463     -7.258870      1.203451
  C      -2.887354     -2.755687      1.991377
  C      -3.594838     -2.471939      0.629469
  C      -3.611320     -1.015879      0.297167
  S      -2.628551     -0.292528     -0.817375
  C      -4.585454     -0.162747      1.029082
  O      -5.394700     -0.597538      1.838629
  C      -1.438436     -2.295758      2.038792
  C      -0.502887     -2.552694      1.024060
  C       0.834282     -2.175474      1.177016
  C       1.264875     -1.525085      2.333110
  C       0.317174     -1.254495      3.317049
  F       0.710059     -0.617496      4.448256
  C      -1.016019     -1.624584      3.192570
  C      -6.554845     -4.683022      4.056986
  C      -6.685891     -3.700912      2.848760
  C      -7.818631     -2.735105      2.968188
  S      -9.125310     -2.696723      1.943910
  C      -7.767718     -1.720742      4.031815
  O      -6.833383     -1.561321      4.821745
  C      -7.809997     -5.483800      4.341451
  C      -8.103435     -5.814409      5.670713
  C      -9.235480     -6.569390      5.980800
  C     -10.094617     -7.009027      4.971129
  C      -9.785526     -6.669858      3.659838
  F     -10.613340     -7.086573      2.662918
  C      -8.666620     -5.919493      3.321836
  C      -1.173672     -4.848857      6.157377
  C      -1.744990     -5.437231      7.485550
  C      -3.216129     -5.260960      7.672823
  S      -4.354226     -5.871723      6.591483
  C      -3.655444     -4.514846      8.852916
  O      -4.819564     -4.266955      9.175638
  C       0.351332     -4.890225      6.074988
  C       0.958746     -4.306386      4.952245
  C       2.345432     -4.299951      4.810465
  C       3.162431     -4.884949      5.782917
  C       2.542599     -5.465566      6.880943
  F       3.315047     -6.045157      7.840038
  C       1.159295     -5.482952      7.049704
  H      -3.431344     -2.173247      2.745346
  H      -4.628112     -2.824226      0.744843
  H      -3.113701     -3.024847     -0.183898
  H      -4.532624      0.920553      0.766065
  H      -0.814810     -3.017474      0.090924
  H       1.552822     -2.379997      0.378181
  H       2.303044     -1.221403      2.470692
  H      -1.729097     -1.394046      3.988021
  H      -6.377597     -4.062888      4.945685
  H      -5.745032     -3.129125      2.817556
  H      -6.767468     -4.268890      1.911730
  H      -8.655075     -1.056263      4.076555
  H      -7.431500     -5.478478      6.463438
  H      -9.456215     -6.815627      7.019957
  H     -10.988606     -7.594434      5.186313
  H      -8.493450     -5.666988      2.276072
  H      -1.463407     -3.788466      6.124081
  H      -1.487593     -6.510280      7.519102
  H      -1.220390     -4.953064      8.325452
  H      -2.808938     -4.158103      9.495756
  H       0.328434     -3.855026      4.185945
  H       2.799322     -3.829187      3.936304
  H       4.250162     -4.892761      5.698892
  H       0.745967     -5.955459      7.939913
  N      -3.825078     -3.289249      4.972276
  N      -4.223732     -2.179177      5.479591
  H      -3.638946     -1.707498      6.174623
  H      -5.186393     -1.855121      5.257394
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca E -7535.725992478084
  N      -2.997709     -4.163062      2.386968
  C      -2.742631     -5.143363      1.335594
  C      -2.252938     -6.445483      1.943326
  N      -3.105462     -6.811307      3.102932
  C      -4.407877     -7.394821      2.684772
  C      -5.490903     -6.955561      3.657671
  N      -5.356849     -5.524853      3.874055
  Mo     -3.485298     -4.851099      4.202734
  N      -1.756310     -5.492252      4.982239
  C      -1.296107     -6.858772      4.754512
  C      -2.390024     -7.670601      4.074990
  H      -1.036917     -7.356165      5.705818
  H      -0.365168     -6.851618      4.157226
  H      -3.127756     -7.985442      4.824256
  H      -1.981987     -8.568133      3.577254
  H      -6.478819     -7.215533      3.251571
  H      -5.394335     -7.501720      4.619583
  H      -4.643117     -7.000336      1.687522
  H      -4.329365     -8.492608      2.615342
  H      -1.969346     -4.793328      0.633079
  H      -3.660300     -5.312973      0.736898
  H      -1.230426     -6.300701      2.313783
  H      -2.243083     -7.262086      1.201048
  C      -2.887135     -2.755836      1.987377
  C      -3.591745     -2.472983      0.623302
  C      -3.612917     -1.015710      0.295740
  S      -2.631789     -0.285127     -0.812882
  C      -4.590814     -0.167413      1.027470
  O      -5.402247     -0.607827      1.833763
  C      -1.438548     -2.292029      2.039295
  C      -0.503637     -2.543631      1.024907
  C       0.829149     -2.154588      1.177856
  C       1.257098     -1.496924      2.334114
  C       0.311480     -1.235668      3.318175
  F       0.701099     -0.589547      4.450083
  C      -1.017971     -1.617549      3.193916
  C      -6.553050     -4.683508      4.056154
  C      -6.683854     -3.701995      2.845079
  C      -7.817784     -2.737128      2.965280
  S      -9.126508     -2.701085      1.946936
  C      -7.770560     -1.721916      4.027589
  O      -6.835887     -1.557738      4.821739
  C      -7.809569     -5.481072      4.344798
  C      -8.104145     -5.805884      5.675295
  C      -9.236136     -6.559953      5.987532
  C     -10.093917     -7.004640      4.978906
  C      -9.783609     -6.671190      3.666151
  F     -10.609564     -7.093310      2.670010
  C      -8.664928     -5.921719      3.326020
  C      -1.170330     -4.851248      6.155876
  C      -1.741762     -5.438353      7.484677
  C      -3.213113     -5.259618      7.672020
  S      -4.355984     -5.872088      6.591164
  C      -3.647862     -4.505840      8.845401
  O      -4.811220     -4.256107      9.168650
  C       0.354576     -4.896748      6.076889
  C       0.966633     -4.315708      4.955925
  C       2.352723     -4.316008      4.819066
  C       3.164494     -4.905254      5.793888
  C       2.539993     -5.482726      6.890208
  F       3.306624     -6.067877      7.851900
  C       1.157405     -5.492650      7.054257
  H      -3.433443     -2.174284      2.740052
  H      -4.626456     -2.830739      0.733719
  H      -3.106273     -3.021140     -0.190669
  H      -4.540905      0.916422      0.767755
  H      -0.813499     -3.012343      0.091046
  H       1.545735     -2.352740      0.379061
  H       2.291190     -1.180253      2.471525
  H      -1.728818     -1.390490      3.990355
  H      -6.372736     -4.060044      4.943471
  H      -5.743968     -3.129435      2.813748
  H      -6.764282     -4.269410      1.908935
  H      -8.661252     -1.059174      4.071808
  H      -7.432780     -5.466798      6.467163
  H      -9.457584     -6.802013      7.027570
  H     -10.987452     -7.589800      5.195794
  H      -8.490610     -5.673953      2.279261
  H      -1.456915     -3.789419      6.120419
  H      -1.485378     -6.512240      7.519299
  H      -1.216436     -4.953898      8.324855
  H      -2.797729     -4.145064      9.482413
  H       0.340535     -3.860364      4.187372
  H       2.810456     -3.848048      3.946349
  H       4.251449     -4.919046      5.713253
  H       0.740231     -5.964520      7.943405
  N      -3.821368     -3.291232      4.967728
  N      -4.226840     -2.180843      5.470989
  H      -3.644945     -1.707222      6.160665
  H      -5.194669     -1.861241      5.249653
