75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7997.635969043677
  N      -2.664116     -3.918202      2.773829
  C      -2.195767     -4.670065      1.626386
  C      -2.286690     -6.135896      2.019272
  N      -3.541839     -6.319010      2.783798
  C      -4.637733     -6.677950      1.858328
  C      -5.943118     -6.503252      2.626397
  N      -5.703469     -5.362598      3.473489
  Mo     -4.106702     -4.449932      3.955179
  N      -3.095442     -5.499150      5.174675
  C      -2.586208     -6.848160      4.944662
  C      -3.354288     -7.412535      3.763808
  H      -2.723088     -7.487104      5.821644
  H      -1.504408     -6.778486      4.756261
  H      -4.326763     -7.761219      4.121740
  H      -2.824000     -8.251007      3.301415
  H      -6.783700     -6.353141      1.942101
  H      -6.188823     -7.376636      3.248837
  H      -4.624163     -5.980190      1.015528
  H      -4.514550     -7.701590      1.491274
  H      -1.170442     -4.401703      1.355300
  H      -2.842621     -4.439706      0.765436
  H      -1.434400     -6.388595      2.655609
  H      -2.272959     -6.786183      1.140058
  C      -2.182447     -2.613826      2.886378
  C      -0.831464     -2.370417      3.094928
  C      -0.342260     -1.065028      3.145481
  C       1.044059     -0.764496      3.553148
  O       1.672232      0.205660      3.179440
  C       1.602517     -1.711596      4.592273
  O       0.961184     -2.527748      5.206707
  Cl      3.289272     -1.445390      4.915143
  C      -1.192787      0.011950      2.843194
  C      -2.529757     -0.199411      2.624189
  C      -3.063139     -1.501707      2.700240
  C      -4.451280     -1.772669      2.628441
  O      -4.986458     -2.853055      2.924909
  F      -5.287812     -0.754938      2.347233
  C      -6.745660     -4.601530      3.977228
  C      -6.855185     -4.547119      5.370075
  C      -7.848961     -3.791062      5.997034
  C      -7.962593     -3.699340      7.464848
  O      -9.007126     -3.431333      8.037662
  C      -6.691772     -3.883998      8.243923
  O      -5.564423     -3.863537      7.790479
  Cl     -6.960680     -4.059004      9.944483
  C      -8.799888     -3.131514      5.202635
  C      -8.706553     -3.173781      3.829452
  C      -7.671079     -3.867156      3.184788
  C      -7.581106     -3.696253      1.738621
  O      -8.356470     -3.192526      0.996036
  F      -6.391053     -4.156571      1.213570
  C      -2.610438     -4.989100      6.394944
  C      -1.629115     -4.007868      6.364778
  C      -1.133377     -3.455159      7.545651
  C      -0.262466     -2.256682      7.522351
  O       0.653298     -2.041192      8.288210
  C      -0.729689     -1.220339      6.533385
  O      -1.726069     -1.282154      5.848952
  Cl      0.258070      0.215494      6.526929
  C      -1.536062     -3.976179      8.777835
  C      -2.504077     -4.956912      8.825296
  C      -3.084451     -5.443429      7.648946
  C      -4.254483     -6.308415      7.687039
  O      -4.925220     -6.684635      6.773765
  F      -4.616343     -6.669336      8.943614
  H      -0.158895     -3.206384      3.214351
  H      -0.777004      1.007053      2.825128
  H      -3.194802      0.627260      2.428611
  H      -6.223710     -5.214810      5.945514
  H      -9.593202     -2.586924      5.690122
  H      -9.421206     -2.647183      3.214926
  H      -1.219326     -3.688929      5.416039
  H      -1.107663     -3.577221      9.683606
  H      -2.845922     -5.334145      9.776565
  N      -5.157770     -3.627933      5.615442
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.590207984626
  N      -2.690930     -3.837966      2.778346
  C      -2.212483     -4.573095      1.625604
  C      -2.266327     -6.042474      2.011994
  N      -3.513740     -6.257385      2.777497
  C      -4.598052     -6.636278      1.850431
  C      -5.903688     -6.495786      2.621881
  N      -5.689819     -5.354566      3.476284
  Mo     -4.114994     -4.407537      3.962151
  N      -3.090169     -5.445115      5.179704
  C      -2.550743     -6.781047      4.941874
  C      -3.303602     -7.351877      3.753194
  H      -2.678568     -7.430259      5.812645
  H      -1.469258     -6.686595      4.760541
  H      -4.268678     -7.722474      4.108137
  H      -2.755074     -8.176175      3.286251
  H      -6.748651     -6.362028      1.940231
  H      -6.126647     -7.378690      3.239955
  H      -4.600553     -5.934643      1.011093
  H      -4.451427     -7.655127      1.478004
  H      -1.193912     -4.281485      1.352945
  H      -2.866848     -4.351779      0.767938
  H      -1.405884     -6.278621      2.643997
  H      -2.240393     -6.687665      1.129415
  C      -2.221300     -2.537956      2.876781
  C      -0.873000     -2.347512      3.056520
  C      -0.273688     -1.138999      3.108771
  C       1.184228     -1.093853      3.496528
  O       1.930406     -0.215197      3.112933
  C       1.688784     -2.116292      4.485298
  O       1.020406     -2.860238      5.140580
  Cl      3.413688     -2.043670      4.683610
  C      -1.032909      0.029473      2.832811
  C      -2.452163     -0.137663      2.632442
  C      -3.071664     -1.421616      2.709398
  C      -4.471528     -1.694023      2.656191
  O      -5.012402     -2.799017      2.945507
  F      -5.313061     -0.676725      2.388255
  C      -6.750240     -4.625261      3.985948
  C      -6.857153     -4.586347      5.378741
  C      -7.868796     -3.867513      6.015331
  C      -7.977361     -3.799552      7.484279
  O      -9.026050     -3.570443      8.066446
  C      -6.697332     -3.959556      8.253811
  O      -5.573549     -3.901097      7.794801
  Cl     -6.951311     -4.167877      9.953030
  C      -8.840192     -3.228732      5.230320
  C      -8.749876     -3.255404      3.856485
  C      -7.697107     -3.912599      3.202748
  C      -7.614561     -3.731833      1.757782
  O      -8.405250     -3.247529      1.018620
  F      -6.412971     -4.156749      1.228793
  C      -2.629364     -4.927265      6.407059
  C      -1.695371     -3.913781      6.379994
  C      -1.216045     -3.339433      7.561015
  C      -0.399618     -2.103737      7.547833
  O       0.509307     -1.847992      8.309469
  C      -0.929829     -1.087227      6.575533
  O      -1.929992     -1.206253      5.912240
  Cl     -0.028361      0.404440      6.566658
  C      -1.590898     -3.878527      8.791318
  C      -2.519111     -4.896069      8.837676
  C      -3.084338     -5.402606      7.661194
  C      -4.218917     -6.311983      7.700934
  O      -4.877298     -6.713010      6.789481
  F      -4.560716     -6.688198      8.958517
  H      -0.257131     -3.227741      3.153980
  H      -0.552499      0.994993      2.808739
  H      -3.083006      0.720126      2.449643
  H      -6.206365     -5.242020      5.946849
  H      -9.647933     -2.713604      5.725563
  H      -9.481932     -2.745655      3.248710
  H      -1.318838     -3.589053      5.426919
  H      -1.176434     -3.463558      9.696503
  H      -2.842867     -5.287874      9.789237
  N      -5.181954     -3.626350      5.631627
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.632619852018
  N      -2.671211     -3.829422      2.755286
  C      -2.194910     -4.576299      1.601964
  C      -2.246734     -6.046299      1.990900
  N      -3.498288     -6.265546      2.757703
  C      -4.586480     -6.642648      1.828413
  C      -5.893062     -6.499907      2.598893
  N      -5.689659     -5.356009      3.459229
  Mo     -4.105253     -4.406803      3.946600
  N      -3.074971     -5.453508      5.178715
  C      -2.537857     -6.792888      4.930472
  C      -3.289213     -7.360750      3.739186
  H      -2.668678     -7.444621      5.801795
  H      -1.453359     -6.704601      4.746971
  H      -4.257429     -7.729454      4.091044
  H      -2.739782     -8.188010      3.271523
  H      -6.738048     -6.365399      1.915060
  H      -6.115137     -7.385764      3.216323
  H      -4.587260     -5.939676      0.988197
  H      -4.439044     -7.664038      1.454453
  H      -1.173666     -4.285394      1.327460
  H      -2.849741     -4.359516      0.740639
  H      -1.385802     -6.281254      2.625151
  H      -2.219861     -6.695454      1.107211
  C      -2.200810     -2.523628      2.853203
  C      -0.846875     -2.328805      3.025115
  C      -0.246710     -1.108439      3.074964
  C       1.216256     -1.078273      3.446646
  O       1.968134     -0.199766      3.056397
  C       1.721632     -2.117965      4.430431
  O       1.042070     -2.860569      5.089716
  Cl      3.459033     -2.072107      4.614332
  C      -1.011566      0.059740      2.808923
  C      -2.424939     -0.116308      2.620822
  C      -3.047509     -1.398427      2.696158
  C      -4.450546     -1.665994      2.650224
  O      -4.994183     -2.764524      2.931773
  F      -5.283673     -0.643211      2.385002
  C      -6.756799     -4.628137      3.971539
  C      -6.864079     -4.603148      5.380275
  C      -7.894497     -3.897098      6.036662
  C      -8.105422     -3.838425      7.508678
  O      -9.213503     -3.585104      7.969908
  C      -6.964485     -4.054724      8.488992
  O      -5.779597     -4.063047      8.263055
  Cl     -7.539226     -4.261269     10.123415
  C      -8.855218     -3.246390      5.237215
  C      -8.757712     -3.256430      3.862356
  C      -7.702553     -3.912757      3.193203
  C      -7.642532     -3.714118      1.745138
  O      -8.458251     -3.218262      1.027336
  F      -6.454626     -4.137848      1.172380
  C      -2.613214     -4.929581      6.413788
  C      -1.664847     -3.916996      6.373638
  C      -1.168286     -3.335791      7.548681
  C      -0.333215     -2.108108      7.531082
  O       0.584719     -1.875866      8.294816
  C      -0.839625     -1.056807      6.561876
  O      -1.841572     -1.142622      5.900384
  Cl      0.114865      0.413536      6.564919
  C      -1.538024     -3.862197      8.788427
  C      -2.479218     -4.870808      8.851165
  C      -3.063772     -5.385443      7.684962
  C      -4.214697     -6.276445      7.776549
  O      -4.916659     -6.684247      6.895370
  F      -4.521663     -6.615219      9.060728
  H      -0.227327     -3.213056      3.117291
  H      -0.538011      1.033249      2.782661
  H      -3.060383      0.745651      2.445767
  H      -6.218710     -5.276908      5.939094
  H      -9.676869     -2.740542      5.730142
  H      -9.493660     -2.738916      3.257573
  H      -1.288547     -3.602473      5.411014
  H      -1.110146     -3.441650      9.691099
  H      -2.801738     -5.248963      9.813715
  N      -5.151668     -3.646331      5.567779
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.666353445079
  N      -2.653394     -3.821889      2.735651
  C      -2.181010     -4.588786      1.585705
  C      -2.234619     -6.058104      1.981191
  N      -3.491842     -6.280990      2.748447
  C      -4.586906     -6.655568      1.819102
  C      -5.895241     -6.505930      2.586849
  N      -5.706245     -5.355603      3.449846
  Mo     -4.105449     -4.404408      3.937671
  N      -3.069388     -5.467200      5.191481
  C      -2.534209     -6.808614      4.930961
  C      -3.284138     -7.373892      3.738130
  H      -2.671260     -7.462730      5.803383
  H      -1.445970     -6.729921      4.746633
  H      -4.256973     -7.738327      4.085758
  H      -2.734890     -8.205968      3.271175
  H      -6.738688     -6.371238      1.898419
  H      -6.118594     -7.392728      3.206014
  H      -4.584238     -5.953087      0.976184
  H      -4.439741     -7.680741      1.445917
  H      -1.155366     -4.302747      1.309769
  H      -2.833667     -4.378622      0.718260
  H      -1.375203     -6.291624      2.620704
  H      -2.206135     -6.714287      1.098338
  C      -2.180781     -2.512906      2.833569
  C      -0.820337     -2.316412      3.000578
  C      -0.219088     -1.083507      3.053064
  C       1.245945     -1.076514      3.409394
  O       2.010636     -0.203249      3.018243
  C       1.739087     -2.143334      4.387372
  O       1.037170     -2.878365      5.044224
  Cl      3.489525     -2.143659      4.562785
  C      -0.987284      0.085166      2.800732
  C      -2.389833     -0.096935      2.623655
  C      -3.018730     -1.373756      2.690929
  C      -4.427985     -1.627340      2.650037
  O      -4.980759     -2.712696      2.920035
  F      -5.241945     -0.591248      2.385702
  C      -6.782552     -4.627048      3.959496
  C      -6.874118     -4.600788      5.380153
  C      -7.907758     -3.892225      6.044689
  C      -8.115729     -3.831343      7.510078
  O      -9.221880     -3.555124      7.977836
  C      -6.964891     -4.072404      8.492280
  O      -5.791535     -4.111804      8.250554
  Cl     -7.535633     -4.272976     10.150056
  C      -8.876771     -3.239655      5.245866
  C      -8.789638     -3.254954      3.870777
  C      -7.732516     -3.919435      3.187040
  C      -7.703154     -3.722874      1.734959
  O      -8.546948     -3.225336      1.038124
  F      -6.533864     -4.156140      1.119310
  C      -2.617494     -4.937637      6.432390
  C      -1.678648     -3.902884      6.395311
  C      -1.193001     -3.314148      7.573929
  C      -0.369284     -2.075429      7.569358
  O       0.541968     -1.851082      8.347059
  C      -0.861706     -0.992581      6.599888
  O      -1.852101     -1.064935      5.925914
  Cl      0.121465      0.474542      6.632468
  C      -1.559034     -3.847481      8.815402
  C      -2.486336     -4.874929      8.874490
  C      -3.062241     -5.403378      7.706688
  C      -4.195346     -6.325572      7.820373
  O      -4.901535     -6.769597      6.953420
  F      -4.463168     -6.667992      9.120302
  H      -0.199470     -3.206159      3.087197
  H      -0.521559      1.067247      2.777182
  H      -3.027493      0.772086      2.460537
  H      -6.232396     -5.284828      5.936524
  H      -9.699727     -2.730032      5.743634
  H      -9.534037     -2.736682      3.268498
  H      -1.300985     -3.576960      5.429500
  H      -1.139006     -3.418487      9.724301
  H      -2.805606     -5.259711      9.840401
  N      -5.104631     -3.658330      5.477672
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.695158090393
  N      -2.640198     -3.808944      2.721693
  C      -2.173156     -4.595844      1.578922
  C      -2.230262     -6.064931      1.981750
  N      -3.490670     -6.292851      2.748809
  C      -4.591500     -6.666110      1.822717
  C      -5.901287     -6.510758      2.588011
  N      -5.727393     -5.354266      3.450893
  Mo     -4.110737     -4.399406      3.935360
  N      -3.063752     -5.477201      5.208265
  C      -2.532880     -6.818540      4.936561
  C      -3.283197     -7.381929      3.744242
  H      -2.672708     -7.473927      5.809375
  H      -1.443431     -6.748601      4.748380
  H      -4.259244     -7.742762      4.088699
  H      -2.734687     -8.217220      3.278587
  H      -6.742466     -6.378258      1.895381
  H      -6.124565     -7.396925      3.209545
  H      -4.586754     -5.965471      0.977183
  H      -4.444670     -7.693705      1.451712
  H      -1.144501     -4.315769      1.301302
  H      -2.823341     -4.392967      0.706990
  H      -1.372994     -6.296784      2.625822
  H      -2.200387     -6.726492      1.100918
  C      -2.168714     -2.500756      2.817697
  C      -0.804817     -2.299480      2.988164
  C      -0.206312     -1.059464      3.045827
  C       1.257010     -1.063126      3.401857
  O       2.029999     -0.197528      3.012396
  C       1.744635     -2.137101      4.389352
  O       1.035225     -2.858889      5.050482
  Cl      3.501608     -2.153366      4.562172
  C      -0.976268      0.107157      2.796546
  C      -2.370159     -0.081375      2.621550
  C      -3.001046     -1.353678      2.682687
  C      -4.418435     -1.594466      2.643150
  O      -4.981026     -2.666029      2.906219
  F      -5.211790     -0.543082      2.375474
  C      -6.809532     -4.625582      3.956655
  C      -6.885107     -4.594542      5.383203
  C      -7.920771     -3.885543      6.047454
  C      -8.132189     -3.825436      7.504670
  O      -9.233375     -3.537840      7.980506
  C      -6.973226     -4.088176      8.483338
  O      -5.808485     -4.141853      8.225897
  Cl     -7.540342     -4.289871     10.159208
  C      -8.897197     -3.233794      5.247502
  C      -8.817815     -3.254212      3.875307
  C      -7.758701     -3.926600      3.188256
  C      -7.740013     -3.738075      1.736049
  O      -8.592279     -3.241293      1.045224
  F      -6.575790     -4.176420      1.109313
  C      -2.615417     -4.945447      6.445000
  C      -1.680592     -3.902953      6.406349
  C      -1.197796     -3.311967      7.583787
  C      -0.373302     -2.074522      7.578031
  O       0.536400     -1.854761      8.357178
  C      -0.852541     -0.977569      6.598345
  O      -1.837091     -1.044259      5.923206
  Cl      0.161974      0.479895      6.632258
  C      -1.562930     -3.844220      8.828413
  C      -2.485397     -4.879153      8.886533
  C      -3.056421     -5.414999      7.717328
  C      -4.181289     -6.353948      7.834260
  O      -4.884411     -6.812575      6.971510
  F      -4.437092     -6.699334      9.140721
  H      -0.184256     -3.190543      3.075455
  H      -0.519064      1.094925      2.776939
  H      -3.009271      0.790439      2.464637
  H      -6.247569     -5.282440      5.938535
  H      -9.720337     -2.722903      5.747253
  H      -9.565550     -2.737890      3.272825
  H      -1.302123     -3.574291      5.438546
  H      -1.145982     -3.411149      9.738981
  H      -2.803832     -5.265114      9.853697
  N      -5.052321     -3.669969      5.382509
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.717692630525
  N      -2.625497     -3.793847      2.709575
  C      -2.167107     -4.600491      1.575924
  C      -2.229229     -6.069306      1.984981
  N      -3.489593     -6.302318      2.752079
  C      -4.597026     -6.672034      1.832500
  C      -5.907453     -6.509557      2.596524
  N      -5.747366     -5.348117      3.458363
  Mo     -4.113634     -4.391870      3.937038
  N      -3.054358     -5.482941      5.224866
  C      -2.527369     -6.822444      4.941899
  C      -3.280425     -7.386077      3.751335
  H      -2.667305     -7.479456      5.814228
  H      -1.437939     -6.759858      4.748490
  H      -4.258200     -7.743990      4.094881
  H      -2.733448     -8.224233      3.287251
  H      -6.745987     -6.379806      1.899885
  H      -6.131125     -7.394271      3.220414
  H      -4.590746     -5.973366      0.984846
  H      -4.453392     -7.701416      1.463071
  H      -1.135881     -4.328866      1.295269
  H      -2.815113     -4.403643      0.700763
  H      -1.373911     -6.300220      2.632263
  H      -2.198624     -6.734552      1.106013
  C      -2.151796     -2.492379      2.799837
  C      -0.784364     -2.291675      2.969159
  C      -0.186894     -1.049416      3.033078
  C       1.273950     -1.062357      3.383411
  O       2.055585     -0.207573      3.000392
  C       1.753542     -2.151395      4.372854
  O       1.036824     -2.861739      5.030417
  Cl      3.513528     -2.191263      4.537741
  C      -0.955575      0.117483      2.793966
  C      -2.343822     -0.069928      2.623088
  C      -2.976623     -1.337785      2.676123
  C      -4.403365     -1.561180      2.639165
  O      -4.980861     -2.618088      2.894996
  F      -5.171816     -0.489963      2.368545
  C      -6.835908     -4.621539      3.959412
  C      -6.899139     -4.583493      5.387698
  C      -7.934347     -3.876954      6.046147
  C      -8.145105     -3.821498      7.498271
  O      -9.234487     -3.524219      7.989509
  C      -6.972351     -4.109958      8.460618
  O      -5.815434     -4.178761      8.178456
  Cl     -7.521216     -4.320577     10.153111
  C      -8.917217     -3.225252      5.247034
  C      -8.845521     -3.250854      3.878429
  C      -7.786383     -3.930229      3.193108
  C      -7.775608     -3.752307      1.740190
  O      -8.630583     -3.259834      1.051971
  F      -6.616506     -4.198224      1.109215
  C      -2.610025     -4.949043      6.456038
  C      -1.687603     -3.893304      6.420748
  C      -1.215131     -3.300786      7.599433
  C      -0.400776     -2.057966      7.595861
  O       0.504950     -1.832559      8.374328
  C      -0.882427     -0.955205      6.609434
  O      -1.863220     -1.024437      5.933558
  Cl      0.144779      0.501565      6.644236
  C      -1.576167     -3.837898      8.844272
  C      -2.484581     -4.885483      8.897556
  C      -3.044436     -5.427428      7.725104
  C      -4.153343     -6.389486      7.837628
  O      -4.845094     -6.862496      6.976292
  F      -4.398197     -6.745443      9.145785
  H      -0.166893     -3.185113      3.054447
  H      -0.502483      1.107432      2.780999
  H      -2.981716      0.805259      2.476562
  H      -6.265963     -5.271499      5.943626
  H      -9.738757     -2.713796      5.749294
  H      -9.594760     -2.737766      3.274919
  H      -1.309449     -3.554918      5.454519
  H      -1.167711     -3.400649      9.756862
  H      -2.800589     -5.277232      9.863384
  N      -4.994086     -3.672940      5.296278
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.732714341351
  N      -2.612622     -3.775112      2.700051
  C      -2.163400     -4.603574      1.578512
  C      -2.232148     -6.072539      1.991353
  N      -3.490956     -6.312730      2.757215
  C      -4.606890     -6.675082      1.847335
  C      -5.916617     -6.502474      2.611634
  N      -5.769974     -5.336543      3.472515
  Mo     -4.116893     -4.381671      3.942065
  N      -3.045207     -5.484912      5.239452
  C      -2.522021     -6.822130      4.945747
  C      -3.279552     -7.389385      3.759676
  H      -2.659063     -7.480610      5.817659
  H      -1.433460     -6.766339      4.745106
  H      -4.258244     -7.744203      4.104526
  H      -2.734909     -8.231577      3.298826
  H      -6.752258     -6.376529      1.910800
  H      -6.141341     -7.385202      3.238170
  H      -4.598445     -5.978437      0.997653
  H      -4.471278     -7.706234      1.478102
  H      -1.129451     -4.342836      1.294408
  H      -2.808018     -4.411864      0.699606
  H      -1.379520     -6.303334      2.642317
  H      -2.198414     -6.739543      1.113167
  C      -2.132355     -2.481702      2.779529
  C      -0.761518     -2.282897      2.952036
  C      -0.163958     -1.040548      3.025618
  C       1.294082     -1.055591      3.377521
  O       2.083967     -0.213172      2.996620
  C       1.766153     -2.144975      4.385853
  O       1.044908     -2.833447      5.054053
  Cl      3.527551     -2.197325      4.545716
  C      -0.929023      0.127981      2.791910
  C      -2.314596     -0.055238      2.621074
  C      -2.948695     -1.320260      2.666187
  C      -4.383385     -1.525104      2.631005
  O      -4.979429     -2.567271      2.881631
  F      -5.125269     -0.434462      2.351619
  C      -6.871120     -4.618473      3.966733
  C      -6.935470     -4.570465      5.395683
  C      -7.977066     -3.873735      6.039388
  C      -8.194623     -3.830894      7.488913
  O      -9.273254     -3.529354      7.992085
  C      -7.009908     -4.146238      8.434109
  O      -5.859081     -4.222023      8.129716
  Cl     -7.540183     -4.374966     10.137241
  C      -8.962493     -3.224235      5.238687
  C      -8.888805     -3.254574      3.873143
  C      -7.825160     -3.936535      3.198097
  C      -7.815405     -3.769973      1.743247
  O      -8.669156     -3.284024      1.052347
  F      -6.654715     -4.216229      1.117714
  C      -2.599064     -4.951564      6.464118
  C      -1.686492     -3.887086      6.426884
  C      -1.213249     -3.295058      7.603445
  C      -0.397172     -2.054449      7.593652
  O       0.513282     -1.827168      8.363085
  C      -0.878195     -0.951148      6.597397
  O      -1.862673     -1.017488      5.928694
  Cl      0.175720      0.492309      6.609746
  C      -1.566107     -3.832941      8.850751
  C      -2.463964     -4.888803      8.905895
  C      -3.020088     -5.436670      7.734271
  C      -4.112641     -6.419638      7.849457
  O      -4.798354     -6.906430      6.993758
  F      -4.340096     -6.783464      9.160058
  H      -0.149336     -3.178970      3.039946
  H      -0.477424      1.118539      2.788310
  H      -2.950266      0.823002      2.484196
  H      -6.306364     -5.254205      5.957495
  H      -9.786568     -2.715837      5.739593
  H      -9.636826     -2.747669      3.263458
  H      -1.312946     -3.543275      5.460217
  H      -1.158820     -3.392561      9.761983
  H      -2.773430     -5.283615      9.872380
  N      -4.946137     -3.652048      5.237405
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.743899683074
  N      -2.596706     -3.756027      2.688996
  C      -2.158696     -4.606419      1.580332
  C      -2.233843     -6.074422      1.995696
  N      -3.488268     -6.321893      2.761853
  C      -4.616348     -6.672320      1.865889
  C      -5.922498     -6.486116      2.634034
  N      -5.784731     -5.316340      3.493864
  Mo     -4.109980     -4.367825      3.948179
  N      -3.029471     -5.480343      5.248985
  C      -2.507964     -6.814868      4.947326
  C      -3.272468     -7.389239      3.768496
  H      -2.639877     -7.474245      5.819255
  H      -1.420766     -6.764132      4.739303
  H      -4.251026     -7.740115      4.118270
  H      -2.731833     -8.237191      3.312711
  H      -6.756680     -6.364589      1.930817
  H      -6.148393     -7.366063      3.264017
  H      -4.605422     -5.977808      1.014195
  H      -4.495650     -7.705167      1.495224
  H      -1.122790     -4.358619      1.290335
  H      -2.800509     -4.418556      0.698529
  H      -1.383286     -6.305624      2.649180
  H      -2.196238     -6.741832      1.117689
  C      -2.103337     -2.471880      2.752213
  C      -0.728191     -2.282024      2.920110
  C      -0.126741     -1.042392      3.004119
  C       1.329885     -1.062513      3.347430
  O       2.128998     -0.231562      2.967616
  C       1.791131     -2.162526      4.359951
  O       1.062372     -2.834679      5.033629
  Cl      3.553521     -2.247684      4.500555
  C      -0.885969      0.131497      2.786915
  C      -2.270681     -0.039747      2.620977
  C      -2.908487     -1.301704      2.654852
  C      -4.348444     -1.485336      2.623218
  O      -4.964900     -2.513233      2.869283
  F      -5.064800     -0.376818      2.334247
  C      -6.901318     -4.613308      3.982718
  C      -6.976216     -4.557270      5.411106
  C      -8.029609     -3.879010      6.039163
  C      -8.257564     -3.861375      7.489190
  O      -9.327744     -3.560464      8.000688
  C      -7.065782     -4.212111      8.418802
  O      -5.919048     -4.291949      8.098491
  Cl     -7.585259     -4.475046     10.122858
  C      -9.014810     -3.232010      5.238317
  C      -8.932464     -3.263484      3.873771
  C      -7.862206     -3.941663      3.210949
  C      -7.851603     -3.783411      1.753466
  O      -8.705080     -3.306352      1.059341
  F      -6.686218     -4.222709      1.136351
  C      -2.586688     -4.946085      6.470235
  C      -1.690621     -3.867294      6.437391
  C      -1.226861     -3.273629      7.615474
  C      -0.412791     -2.032366      7.604966
  O       0.496773     -1.799720      8.371980
  C      -0.891379     -0.933954      6.596654
  O      -1.878289     -0.998575      5.931466
  Cl      0.183697      0.496862      6.586304
  C      -1.576967     -3.814516      8.862203
  C      -2.458908     -4.883089      8.913586
  C      -2.999922     -5.439752      7.739369
  C      -4.071159     -6.447790      7.847921
  O      -4.742222     -6.948957      6.990738
  F      -4.291602     -6.821284      9.157711
  H      -0.123200     -3.182788      3.008018
  H      -0.430776      1.119922      2.796095
  H      -2.901498      0.843566      2.500536
  H      -6.346833     -5.233962      5.978892
  H      -9.844512     -2.731184      5.736644
  H      -9.678245     -2.763498      3.256577
  H      -1.318608     -3.514725      5.473483
  H      -1.179830     -3.368613      9.774500
  H      -2.767110     -5.281632      9.878423
  N      -4.904343     -3.601251      5.216898
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.753208799006
  N      -2.587539     -3.735348      2.681741
  C      -2.157767     -4.604391      1.584925
  C      -2.237502     -6.072090      1.998930
  N      -3.487583     -6.331021      2.762985
  C      -4.626048     -6.668052      1.879949
  C      -5.927801     -6.472047      2.652558
  N      -5.799308     -5.299202      3.513025
  Mo     -4.106238     -4.357094      3.953904
  N      -3.020820     -5.477545      5.254672
  C      -2.500364     -6.809648      4.946595
  C      -3.268792     -7.390217      3.773173
  H      -2.626800     -7.471355      5.817363
  H      -1.414352     -6.761151      4.733234
  H      -4.247201     -7.738336      4.126795
  H      -2.730559     -8.243537      3.323541
  H      -6.760702     -6.356430      1.946897
  H      -6.153444     -7.350647      3.284778
  H      -4.612879     -5.974346      1.027206
  H      -4.521696     -7.701813      1.505476
  H      -1.120211     -4.368068      1.290182
  H      -2.796097     -4.418646      0.699887
  H      -1.388993     -6.304204      2.654952
  H      -2.192433     -6.736384      1.118484
  C      -2.080660     -2.457843      2.728718
  C      -0.701927     -2.276235      2.897774
  C      -0.096695     -1.039193      2.992476
  C       1.358639     -1.056882      3.337111
  O       2.164078     -0.235316      2.951741
  C       1.812698     -2.146101      4.372354
  O       1.080939     -2.790575      5.068538
  Cl      3.575939     -2.244435      4.504575
  C      -0.849958      0.139680      2.782477
  C      -2.235346     -0.020525      2.616316
  C      -2.876393     -1.280985      2.641402
  C      -4.319510     -1.447074      2.609460
  O      -4.955482     -2.462022      2.851744
  F      -5.014326     -0.324132      2.309040
  C      -6.932819     -4.617832      3.995435
  C      -7.023584     -4.557451      5.420632
  C      -8.091471     -3.900897      6.036163
  C      -8.329213     -3.903838      7.490156
  O      -9.398037     -3.611698      8.001333
  C      -7.132987     -4.265364      8.418367
  O      -5.985267     -4.331036      8.099359
  Cl     -7.656092     -4.553128     10.116821
  C      -9.077770     -3.261486      5.236017
  C      -8.982984     -3.292052      3.870498
  C      -7.902562     -3.957592      3.219226
  C      -7.889739     -3.799824      1.758304
  O      -8.746992     -3.333505      1.062521
  F      -6.715651     -4.218171      1.148557
  C      -2.578910     -4.942168      6.473628
  C      -1.685722     -3.861543      6.438417
  C      -1.217878     -3.267393      7.614295
  C      -0.382222     -2.040583      7.595254
  O       0.532434     -1.816445      8.358383
  C      -0.837064     -0.945610      6.570049
  O      -1.830330     -0.991483      5.913129
  Cl      0.282738      0.451521      6.527859
  C      -1.571062     -3.800047      8.863587
  C      -2.452968     -4.868171      8.918763
  C      -2.988952     -5.433109      7.746321
  C      -4.052226     -6.449838      7.859350
  O      -4.720435     -6.961514      7.006220
  F      -4.266610     -6.819771      9.171839
  H      -0.103756     -3.181007      2.990578
  H      -0.390220      1.125786      2.803542
  H      -2.861675      0.866729      2.506620
  H      -6.386005     -5.222095      5.992690
  H      -9.915325     -2.770759      5.731071
  H      -9.727443     -2.800074      3.245491
  H      -1.313322     -3.513607      5.473752
  H      -1.174509     -3.350487      9.774111
  H      -2.763482     -5.261223      9.885009
  N      -4.872658     -3.544857      5.211239
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.760774609276
  N      -2.574816     -3.718320      2.670381
  C      -2.156616     -4.602153      1.581525
  C      -2.238221     -6.068710      1.994793
  N      -3.481078     -6.337553      2.760723
  C      -4.631109     -6.660551      1.892655
  C      -5.925873     -6.455111      2.672967
  N      -5.800658     -5.279739      3.533513
  Mo     -4.090849     -4.346280      3.958169
  N      -3.003749     -5.470700      5.256026
  C      -2.483296     -6.800588      4.944500
  C      -3.256684     -7.387694      3.775814
  H      -2.603914     -7.464576      5.814526
  H      -1.398339     -6.751730      4.727238
  H      -4.233942     -7.733057      4.135736
  H      -2.721182     -8.246714      3.333172
  H      -6.759778     -6.345053      1.967437
  H      -6.150408     -7.332107      3.307912
  H      -4.617270     -5.967656      1.038940
  H      -4.546559     -7.694927      1.513662
  H      -1.118968     -4.376714      1.278317
  H      -2.794976     -4.416977      0.696152
  H      -1.388663     -6.301366      2.649495
  H      -2.188051     -6.728962      1.111306
  C      -2.052323     -2.448853      2.701483
  C      -0.668952     -2.284045      2.857062
  C      -0.056520     -1.051868      2.963918
  C       1.398612     -1.076397      3.293338
  O       2.210149     -0.258207      2.914664
  C       1.845022     -2.195412      4.303234
  O       1.106884     -2.845809      4.988245
  Cl      3.607410     -2.340289      4.401511
  C      -0.803109      0.135316      2.783759
  C      -2.188795     -0.006104      2.624179
  C      -2.836492     -1.263344      2.632192
  C      -4.282547     -1.408425      2.598624
  O      -4.939380     -2.409058      2.833272
  F      -4.954855     -0.268640      2.294712
  C      -6.946503     -4.621141      4.012917
  C      -7.048679     -4.560770      5.431580
  C      -8.126907     -3.924264      6.043443
  C      -8.366767     -3.945984      7.503527
  O      -9.434958     -3.662059      8.013957
  C      -7.169984     -4.321327      8.434001
  O      -6.020135     -4.380250      8.122822
  Cl     -7.706043     -4.637686     10.120295
  C      -9.116520     -3.291902      5.248475
  C      -9.013646     -3.320214      3.880407
  C      -7.926379     -3.970992      3.234959
  C      -7.913045     -3.810766      1.770899
  O      -8.776487     -3.356628      1.075038
  F      -6.731974     -4.208089      1.167119
  C      -2.573219     -4.930884      6.477196
  C      -1.695474     -3.836046      6.452390
  C      -1.248008     -3.237130      7.633962
  C      -0.416419     -2.006958      7.623534
  O       0.486146     -1.777099      8.399038
  C      -0.862004     -0.915432      6.590541
  O      -1.853591     -0.956131      5.930437
  Cl      0.263966      0.477557      6.550521
  C      -1.610218     -3.772386      8.879319
  C      -2.479175     -4.851243      8.925012
  C      -2.991065     -5.425226      7.746708
  C      -4.041295     -6.456442      7.846370
  O      -4.694606     -6.974547      6.985397
  F      -4.268596     -6.828440      9.156398
  H      -0.078198     -3.194978      2.943785
  H      -0.333974      1.116317      2.821710
  H      -2.807715      0.887655      2.534789
  H      -6.394476     -5.209346      6.003427
  H      -9.959465     -2.810523      5.742969
  H      -9.758780     -2.834481      3.251582
  H      -1.318329     -3.480687      5.492303
  H      -1.232427     -3.315956      9.794048
  H      -2.799810     -5.244768      9.887481
  N      -4.821245     -3.487204      5.206054
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.770555506218
  N      -2.576829     -3.698340      2.668766
  C      -2.162082     -4.594074      1.586214
  C      -2.243295     -6.062055      1.995269
  N      -3.482454     -6.344766      2.758159
  C      -4.639853     -6.655708      1.900033
  C      -5.929641     -6.444570      2.686304
  N      -5.809837     -5.266110      3.548625
  Mo     -4.089553     -4.337201      3.965456
  N      -3.004057     -5.465700      5.259248
  C      -2.483316     -6.795099      4.945236
  C      -3.256235     -7.387832      3.778030
  H      -2.598635     -7.461861      5.814190
  H      -1.398862     -6.743540      4.726304
  H      -4.233135     -7.731749      4.140800
  H      -2.720408     -8.251284      3.343515
  H      -6.764024     -6.340602      1.979963
  H      -6.153066     -7.320948      3.322851
  H      -4.624624     -5.962657      1.046137
  H      -4.572533     -7.690052      1.515552
  H      -1.124055     -4.375043      1.278940
  H      -2.797951     -4.408902      0.698670
  H      -1.393885     -6.294771      2.650655
  H      -2.182822     -6.715686      1.106908
  C      -2.041486     -2.431509      2.684948
  C      -0.655368     -2.278382      2.842584
  C      -0.037268     -1.048941      2.958026
  C       1.417245     -1.067368      3.291802
  O       2.229592     -0.254099      2.903508
  C       1.862309     -2.163590      4.328642
  O       1.125878     -2.781792      5.044370
  Cl      3.625223     -2.309540      4.426384
  C      -0.777202      0.143147      2.781676
  C      -2.163559      0.014422      2.619016
  C      -2.817121     -1.240530      2.619100
  C      -4.265529     -1.369193      2.577796
  O      -4.941463     -2.356183      2.806020
  F      -4.917238     -0.216372      2.262565
  C      -6.970803     -4.633046      4.021981
  C      -7.088293     -4.573704      5.433176
  C      -8.180344     -3.957246      6.040800
  C      -8.426273     -3.990030      7.505445
  O      -9.500653     -3.718815      8.006455
  C      -7.232291     -4.355371      8.450915
  O      -6.076815     -4.390472      8.159571
  Cl     -7.790003     -4.686947     10.123465
  C      -9.173390     -3.338337      5.245960
  C      -9.057973     -3.364958      3.875328
  C      -7.959594     -3.996183      3.237628
  C      -7.941784     -3.833290      1.770556
  O      -8.812250     -3.394512      1.072595
  F      -6.751141     -4.203861      1.174680
  C      -2.572102     -4.925049      6.481258
  C      -1.686345     -3.837481      6.451525
  C      -1.227524     -3.240299      7.629824
  C      -0.362381     -2.033085      7.609989
  O       0.545859     -1.822286      8.384878
  C      -0.767596     -0.944267      6.559291
  O      -1.762592     -0.956209      5.903585
  Cl      0.417088      0.397728      6.483322
  C      -1.597798     -3.763007      8.878034
  C      -2.478047     -4.832713      8.929593
  C      -2.992040     -5.411299      7.754344
  C      -4.045665     -6.437990      7.860923
  O      -4.702197     -6.959251      7.003494
  F      -4.269791     -6.805577      9.173001
  H      -0.071242     -3.193060      2.934885
  H      -0.300265      1.120255      2.829722
  H      -2.776631      0.912372      2.534867
  H      -6.414536     -5.200904      6.007509
  H     -10.025327     -2.867926      5.735661
  H      -9.804622     -2.888080      3.241019
  H      -1.308209     -3.493203      5.488333
  H      -1.214781     -3.306018      9.790520
  H      -2.804275     -5.216765      9.894173
  N      -4.786135     -3.435459      5.198995
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.776093216630
  N      -2.576599     -3.688598      2.659292
  C      -2.167358     -4.592728      1.580702
  C      -2.245659     -6.060031      1.991227
  N      -3.479308     -6.350713      2.755839
  C      -4.645589     -6.650832      1.910316
  C      -5.927853     -6.431275      2.705437
  N      -5.805196     -5.248305      3.563453
  Mo     -4.075744     -4.327558      3.967750
  N      -2.994788     -5.453964      5.256115
  C      -2.472042     -6.782251      4.943721
  C      -3.248272     -7.383377      3.782490
  H      -2.579313     -7.448472      5.814186
  H      -1.388804     -6.725766      4.720600
  H      -4.223579     -7.724460      4.152312
  H      -2.713604     -8.252209      3.357046
  H      -6.766080     -6.333553      2.002665
  H      -6.149391     -7.303942      3.347702
  H      -4.630314     -5.959327      1.055093
  H      -4.597165     -7.685488      1.522540
  H      -1.130676     -4.377981      1.266143
  H      -2.804413     -4.408596      0.693825
  H      -1.394040     -6.290213      2.644972
  H      -2.178191     -6.710661      1.100792
  C      -2.027703     -2.425421      2.664604
  C      -0.638955     -2.290389      2.816629
  C      -0.011980     -1.065372      2.946603
  C       1.441896     -1.085553      3.276341
  O       2.253818     -0.268898      2.894733
  C       1.888368     -2.200717      4.290617
  O       1.152673     -2.827862      4.999427
  Cl      3.649947     -2.378406      4.355913
  C      -0.744427      0.133532      2.793038
  C      -2.129277      0.022797      2.627911
  C      -2.791849     -1.227036      2.608575
  C      -4.242150     -1.336068      2.552812
  O      -4.936460     -2.309063      2.770804
  F      -4.870140     -0.168587      2.229638
  C      -6.975743     -4.634430      4.036732
  C      -7.102366     -4.577859      5.442605
  C      -8.204652     -3.977841      6.050794
  C      -8.452325     -4.021120      7.516627
  O      -9.529820     -3.756563      8.013902
  C      -7.263029     -4.394526      8.466647
  O      -6.104784     -4.419888      8.183929
  Cl     -7.833860     -4.755447     10.124806
  C      -9.201717     -3.370759      5.256169
  C      -9.078632     -3.394521      3.883704
  C      -7.972715     -4.008638      3.248538
  C      -7.952637     -3.842467      1.780370
  O      -8.830388     -3.418921      1.082171
  F      -6.753815     -4.185334      1.189694
  C      -2.571756     -4.913900      6.481710
  C      -1.697003     -3.817667      6.456239
  C      -1.248241     -3.218173      7.636901
  C      -0.381978     -2.011331      7.621031
  O       0.516952     -1.800084      8.406829
  C      -0.776736     -0.923331      6.568113
  O      -1.776254     -0.923713      5.918839
  Cl      0.413060      0.414024      6.495070
  C      -1.622909     -3.743761      8.882765
  C      -2.495280     -4.820307      8.929438
  C      -2.995448     -5.404620      7.751015
  C      -4.038814     -6.441914      7.849406
  O      -4.687702     -6.964238      6.986684
  F      -4.267739     -6.815307      9.158643
  H      -0.062982     -3.210297      2.905849
  H      -0.256946      1.104513      2.859294
  H      -2.734054      0.927146      2.557106
  H      -6.405727     -5.178913      6.019058
  H     -10.060578     -2.909214      5.741827
  H      -9.828180     -2.923527      3.248121
  H      -1.321430     -3.468312      5.493532
  H      -1.250616     -3.282754      9.797659
  H      -2.827271     -5.204910      9.891837
  N      -4.731567     -3.378581      5.184050
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.780995751408
  N      -2.586584     -3.678642      2.656919
  C      -2.177733     -4.585183      1.579985
  C      -2.248383     -6.051948      1.990737
  N      -3.476881     -6.352207      2.755158
  C      -4.648920     -6.642976      1.919207
  C      -5.924217     -6.418969      2.722109
  N      -5.798602     -5.233003      3.575610
  Mo     -4.065408     -4.318983      3.972129
  N      -2.993162     -5.439380      5.254703
  C      -2.466754     -6.766390      4.944797
  C      -3.242665     -7.375223      3.787783
  H      -2.566552     -7.431983      5.816450
  H      -1.384420     -6.702763      4.719436
  H      -4.216926     -7.714367      4.162259
  H      -2.707479     -8.248477      3.371561
  H      -6.767053     -6.326689      2.023666
  H      -6.143026     -7.288966      3.368973
  H      -4.633810     -5.951428      1.063984
  H      -4.615952     -7.676989      1.526844
  H      -1.143153     -4.368819      1.260169
  H      -2.816108     -4.402613      0.693882
  H      -1.394541     -6.277739      2.643288
  H      -2.171841     -6.699332      1.098273
  C      -2.028136     -2.416561      2.653828
  C      -0.637781     -2.295862      2.803730
  C      -0.002993     -1.074304      2.940385
  C       1.451490     -1.092515      3.263897
  O       2.258970     -0.273439      2.877660
  C       1.903134     -2.204421      4.274819
  O       1.171713     -2.815914      5.001196
  Cl      3.664101     -2.395515      4.320928
  C      -0.728983      0.129217      2.800935
  C      -2.112632      0.031934      2.633136
  C      -2.782775     -1.213181      2.599913
  C      -4.234358     -1.306301      2.525321
  O      -4.943630     -2.267433      2.731588
  F      -4.839588     -0.127141      2.188914
  C      -6.979085     -4.638492      4.048846
  C      -7.116930     -4.585764      5.450788
  C      -8.231135     -4.002985      6.057673
  C      -8.483127     -4.052449      7.522387
  O      -9.565724     -3.795134      8.013868
  C      -7.298950     -4.421482      8.479158
  O      -6.137356     -4.425296      8.206255
  Cl     -7.879077     -4.805142     10.125399
  C      -9.231548     -3.410992      5.258205
  C      -9.098888     -3.431732      3.885049
  C      -7.982657     -4.027253      3.254199
  C      -7.958188     -3.863118      1.785314
  O      -8.843570     -3.462100      1.083431
  F      -6.752839     -4.186664      1.201151
  C      -2.576575     -4.901195      6.484104
  C      -1.700926     -3.806166      6.462634
  C      -1.252734     -3.211063      7.645481
  C      -0.364425     -2.020287      7.632664
  O       0.529954     -1.824452      8.428023
  C      -0.718636     -0.934776      6.566187
  O      -1.714730     -0.912824      5.911581
  Cl      0.523756      0.351171      6.462799
  C      -1.638596     -3.734393      8.888990
  C      -2.515263     -4.807486      8.930815
  C      -3.007716     -5.392897      7.749329
  C      -4.049912     -6.431333      7.840196
  O      -4.693336     -6.951166      6.971760
  F      -4.282302     -6.812129      9.146041
  H      -0.067489     -3.219586      2.893526
  H      -0.232225      1.094786      2.878785
  H      -2.710726      0.940984      2.568643
  H      -6.398412     -5.156414      6.032044
  H     -10.099755     -2.959557      5.736512
  H      -9.852141     -2.968938      3.247561
  H      -1.324815     -3.457562      5.500309
  H      -1.269963     -3.274943      9.806153
  H      -2.856260     -5.189616      9.891083
  N      -4.681957     -3.321876      5.168449
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.785181599566
  N      -2.599307     -3.676546      2.652566
  C      -2.190467     -4.583181      1.573958
  C      -2.250805     -6.050227      1.985210
  N      -3.473761     -6.358704      2.751806
  C      -4.652207     -6.642340      1.925750
  C      -5.920213     -6.412066      2.737448
  N      -5.789961     -5.220191      3.583350
  Mo     -4.053092     -4.314852      3.974136
  N      -2.989815     -5.427413      5.251938
  C      -2.459679     -6.754651      4.943367
  C      -3.235677     -7.372352      3.790906
  H      -2.550605     -7.418750      5.816801
  H      -1.378705     -6.683587      4.713928
  H      -4.208659     -7.709904      4.170305
  H      -2.699881     -8.249691      3.383345
  H      -6.768499     -6.326008      2.044794
  H      -6.135551     -7.278296      3.390821
  H      -4.638812     -5.951466      1.069908
  H      -4.632336     -7.676096      1.530595
  H      -1.158945     -4.361858      1.248324
  H      -2.832329     -4.402764      0.690072
  H      -1.393545     -6.270400      2.635358
  H      -2.167463     -6.696019      1.091711
  C      -2.032010     -2.414508      2.645854
  C      -0.640180     -2.307017      2.796529
  C       0.002139     -1.088653      2.941906
  C       1.457242     -1.104393      3.259905
  O       2.258207     -0.278129      2.874918
  C       1.919805     -2.222958      4.254625
  O       1.195650     -2.836961      4.985646
  Cl      3.679601     -2.432095      4.265488
  C      -0.718292      0.118576      2.817022
  C      -2.099802      0.033725      2.643551
  C      -2.777170     -1.205957      2.592708
  C      -4.230484     -1.282534      2.493187
  O      -4.954482     -2.232176      2.684604
  F      -4.809803     -0.090958      2.144547
  C      -6.978649     -4.639434      4.057646
  C      -7.126372     -4.592417      5.457850
  C      -8.249937     -4.024688      6.063330
  C      -8.503843     -4.075258      7.526112
  O      -9.590033     -3.825682      8.015352
  C      -7.320906     -4.433604      8.485252
  O      -6.157998     -4.411930      8.216086
  Cl     -7.899877     -4.844498     10.123142
  C      -9.254350     -3.447213      5.258571
  C      -9.113960     -3.462334      3.886149
  C      -7.987046     -4.039224      3.258143
  C      -7.959367     -3.869216      1.789876
  O      -8.849886     -3.478493      1.088685
  F      -6.742679     -4.150429      1.209916
  C      -2.577936     -4.891777      6.485872
  C      -1.703779     -3.795375      6.467213
  C      -1.257697     -3.201936      7.651393
  C      -0.358893     -2.018706      7.642327
  O       0.525612     -1.828398      8.450428
  C      -0.688363     -0.932558      6.570378
  O      -1.689825     -0.886692      5.925022
  Cl      0.564726      0.344048      6.484595
  C      -1.649008     -3.725915      8.893289
  C      -2.525730     -4.798542      8.931766
  C      -3.012906     -5.385349      7.748207
  C      -4.053473     -6.425522      7.836282
  O      -4.699126     -6.939735      6.966169
  F      -4.286607     -6.808707      9.140667
  H      -0.075259     -3.234155      2.884736
  H      -0.213649      1.079015      2.907853
  H      -2.691297      0.947303      2.584561
  H      -6.388977     -5.132665      6.044178
  H     -10.130933     -3.005215      5.730402
  H      -9.870677     -3.005475      3.248365
  H      -1.331449     -3.444691      5.504633
  H      -1.284428     -3.266527      9.812048
  H      -2.872280     -5.179421      9.890581
  N      -4.629152     -3.272013      5.145607
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.788629734474
  N      -2.614847     -3.672395      2.649909
  C      -2.205246     -4.576989      1.567838
  C      -2.252469     -6.044474      1.980272
  N      -3.469663     -6.360219      2.749842
  C      -4.654043     -6.636923      1.931843
  C      -5.915818     -6.400345      2.751245
  N      -5.780285     -5.203432      3.590248
  Mo     -4.039903     -4.307212      3.977725
  N      -2.986321     -5.411405      5.252900
  C      -2.453139     -6.739445      4.944709
  C      -3.228693     -7.365270      3.795403
  H      -2.536338     -7.401808      5.820017
  H      -1.373646     -6.661366      4.711550
  H      -4.200951     -7.701154      4.178214
  H      -2.692346     -8.246262      3.396263
  H      -6.769517     -6.317815      2.064115
  H      -6.128466     -7.263367      3.409785
  H      -4.641980     -5.945507      1.076452
  H      -4.645115     -7.669830      1.533545
  H      -1.177730     -4.347537      1.236520
  H      -2.852397     -4.399958      0.687506
  H      -1.391238     -6.257539      2.627646
  H      -2.163715     -6.689809      1.086745
  C      -2.040287     -2.410044      2.642700
  C      -0.647654     -2.313842      2.794455
  C       0.001686     -1.098641      2.944256
  C       1.457884     -1.111936      3.252568
  O       2.251554     -0.277741      2.869683
  C       1.932984     -2.240784      4.225953
  O       1.218145     -2.855512      4.964900
  Cl      3.691118     -2.461292      4.202369
  C      -0.714016      0.111447      2.832854
  C      -2.093758      0.037546      2.654143
  C      -2.777054     -1.197113      2.587399
  C      -4.232032     -1.257719      2.460965
  O      -4.970023     -2.196812      2.635676
  F      -4.784868     -0.054808      2.099776
  C      -6.975020     -4.634392      4.066522
  C      -7.131351     -4.592326      5.464998
  C      -8.262807     -4.038223      6.066838
  C      -8.517047     -4.088344      7.528073
  O      -9.604600     -3.846402      8.018418
  C      -7.332272     -4.438407      8.484239
  O      -6.169413     -4.390283      8.214695
  Cl     -7.902934     -4.882705     10.114695
  C      -9.271261     -3.475330      5.256326
  C      -9.124958     -3.487675      3.884832
  C      -7.987733     -4.049291      3.261973
  C      -7.957070     -3.888256      1.793050
  O      -8.857107     -3.535497      1.084422
  F      -6.742247     -4.180178      1.216634
  C      -2.579902     -4.880828      6.492343
  C      -1.705597     -3.784467      6.482099
  C      -1.264161     -3.196975      7.670352
  C      -0.355154     -2.021848      7.669167
  O       0.517476     -1.836016      8.491109
  C      -0.656325     -0.937906      6.587975
  O      -1.647872     -0.884882      5.927700
  Cl      0.639023      0.292854      6.471451
  C      -1.664448     -3.724386      8.908231
  C      -2.542637     -4.795345      8.937840
  C      -3.022285     -5.378884      7.749046
  C      -4.063173     -6.419526      7.826354
  O      -4.704032     -6.927626      6.949482
  F      -4.297032     -6.816403      9.125811
  H      -0.087349     -3.243850      2.880757
  H      -0.202673      1.067235      2.933799
  H      -2.679149      0.954894      2.598663
  H      -6.377158     -5.102114      6.056985
  H     -10.155618     -3.042822      5.722173
  H      -9.885715     -3.040262      3.245557
  H      -1.334477     -3.427691      5.521611
  H      -1.305411     -3.268353      9.830544
  H      -2.897192     -5.177688      9.892910
  N      -4.579034     -3.217317      5.123899
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.791542898296
  N      -2.631121     -3.672870      2.643395
  C      -2.220608     -4.576321      1.558374
  C      -2.252927     -6.043815      1.974533
  N      -3.464385     -6.366485      2.748111
  C      -4.654305     -6.639771      1.938124
  C      -5.910615     -6.397160      2.764030
  N      -5.772917     -5.191564      3.591666
  Mo     -4.027493     -4.304475      3.978849
  N      -2.982407     -5.400804      5.256506
  C      -2.446166     -6.729254      4.947576
  C      -3.220770     -7.362652      3.800939
  H      -2.521999     -7.389912      5.824804
  H      -1.368218     -6.644416      4.710098
  H      -4.192791     -7.697089      4.185836
  H      -2.683260     -8.246903      3.410197
  H      -6.769217     -6.321960      2.082124
  H      -6.118215     -7.255240      3.430664
  H      -4.644972     -5.949047      1.082109
  H      -4.652571     -7.672714      1.539403
  H      -1.197507     -4.337149      1.221368
  H      -2.874587     -4.405198      0.682353
  H      -1.387495     -6.247433      2.619589
  H      -2.159548     -6.690741      1.082344
  C      -2.050903     -2.409656      2.638931
  C      -0.658010     -2.321182      2.795756
  C      -0.003313     -1.107620      2.947961
  C       1.454396     -1.116747      3.245944
  O       2.239691     -0.273082      2.865598
  C       1.944156     -2.251893      4.203447
  O       1.241110     -2.863235      4.956497
  Cl      3.701420     -2.476567      4.147419
  C      -0.716116      0.104006      2.845786
  C      -2.094172      0.037411      2.660889
  C      -2.781149     -1.193434      2.579035
  C      -4.237214     -1.240026      2.423635
  O      -4.988149     -2.169319      2.579033
  F      -4.764000     -0.027735      2.049091
  C      -6.971989     -4.630970      4.069485
  C      -7.134757     -4.596939      5.467571
  C      -8.273274     -4.057430      6.067610
  C      -8.524881     -4.106878      7.528836
  O      -9.612994     -3.874877      8.022795
  C      -7.332365     -4.439021      8.480664
  O      -6.171521     -4.350358      8.211889
  Cl     -7.888501     -4.916990     10.106594
  C      -9.288292     -3.509077      5.254780
  C      -9.137574     -3.514124      3.883906
  C      -7.989502     -4.057449      3.263100
  C      -7.958371     -3.892245      1.794237
  O      -8.858817     -3.534432      1.088338
  F      -6.728602     -4.123892      1.223236
  C      -2.581780     -4.873904      6.500184
  C      -1.705327     -3.779030      6.496672
  C      -1.268689     -3.194781      7.687839
  C      -0.348546     -2.028462      7.692764
  O       0.512010     -1.844981      8.528136
  C      -0.613441     -0.952479      6.593361
  O      -1.603421     -0.876829      5.932947
  Cl      0.706480      0.252782      6.482845
  C      -1.679600     -3.721726      8.922949
  C      -2.561036     -4.789934      8.945576
  C      -3.033088     -5.372643      7.752717
  C      -4.076367     -6.411993      7.822103
  O      -4.716971     -6.912834      6.940685
  F      -4.316786     -6.812534      9.119223
  H      -0.101193     -3.253728      2.880719
  H      -0.200980      1.057081      2.954731
  H      -2.675074      0.957623      2.606501
  H      -6.364997     -5.079196      6.062770
  H     -10.179717     -3.088340      5.718448
  H      -9.902580     -3.074108      3.244472
  H      -1.333779     -3.418955      5.537762
  H      -1.325634     -3.267267      9.848106
  H      -2.924537     -5.171184      9.897808
  N      -4.533060     -3.170674      5.095189
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.794009307529
  N      -2.645225     -3.671462      2.632994
  C      -2.236635     -4.574594      1.545130
  C      -2.255567     -6.041874      1.965908
  N      -3.461191     -6.370196      2.744662
  C      -4.657005     -6.638437      1.942476
  C      -5.908160     -6.389243      2.773910
  N      -5.768293     -5.175867      3.590777
  Mo     -4.014371     -4.300381      3.979315
  N      -2.976200     -5.393289      5.261492
  C      -2.439417     -6.721823      4.947471
  C      -3.215424     -7.359353      3.803090
  H      -2.507513     -7.382887      5.824796
  H      -1.363464     -6.631656      4.703709
  H      -4.187297     -7.692055      4.189932
  H      -2.677886     -8.246424      3.418547
  H      -6.770713     -6.319483      2.096223
  H      -6.111833     -7.242584      3.447786
  H      -4.649620     -5.947367      1.086737
  H      -4.662583     -7.671046      1.542918
  H      -1.218178     -4.326885      1.201474
  H      -2.899126     -4.409484      0.674904
  H      -1.385923     -6.236369      2.608272
  H      -2.159799     -6.690781      1.075268
  C      -2.057615     -2.408829      2.635754
  C      -0.664967     -2.328428      2.801383
  C      -0.005315     -1.116564      2.958889
  C       1.452989     -1.120292      3.250309
  O       2.230210     -0.264766      2.880214
  C       1.958265     -2.267017      4.186834
  O       1.267406     -2.888001      4.942773
  Cl      3.712211     -2.503490      4.085572
  C      -0.715284      0.096384      2.864375
  C      -2.091352      0.037865      2.671148
  C      -2.781415     -1.189147      2.572177
  C      -4.237785     -1.220419      2.387810
  O      -5.002882     -2.139145      2.521406
  F      -4.737814      0.002159      2.004720
  C      -6.969561     -4.621636      4.070702
  C      -7.136956     -4.593702      5.467902
  C      -8.280395     -4.064841      6.065741
  C      -8.526502     -4.110746      7.528543
  O      -9.612911     -3.886823      8.028509
  C      -7.323284     -4.425091      8.473528
  O      -6.166070     -4.297687      8.204417
  Cl     -7.862067     -4.951124     10.090709
  C      -9.301971     -3.529694      5.252694
  C      -9.149707     -3.532263      3.881819
  C      -7.993554     -4.061548      3.263493
  C      -7.966628     -3.904980      1.792923
  O      -8.878672     -3.584372      1.084048
  F      -6.743045     -4.153942      1.217748
  C      -2.579816     -4.871452      6.508414
  C      -1.702808     -3.777111      6.510432
  C      -1.270076     -3.195331      7.703948
  C      -0.345938     -2.032218      7.714632
  O       0.498429     -1.842557      8.565011
  C      -0.590771     -0.959817      6.605759
  O      -1.582620     -0.865129      5.950849
  Cl      0.734966      0.240886      6.514797
  C      -1.686266     -3.724370      8.936881
  C      -2.568866     -4.791388      8.954078
  C      -3.036541     -5.371814      7.758172
  C      -4.082341     -6.409147      7.822487
  O      -4.727956     -6.900628      6.939495
  F      -4.325888     -6.812551      9.118235
  H      -0.112751     -3.263784      2.883998
  H      -0.197343      1.046806      2.983061
  H      -2.667346      0.960996      2.618381
  H      -6.353899     -5.051258      6.064858
  H     -10.198147     -3.118954      5.716231
  H      -9.919242     -3.102204      3.241189
  H      -1.333684     -3.412339      5.552762
  H      -1.335979     -3.271456      9.864100
  H      -2.937912     -5.173028      9.904032
  N      -4.487009     -3.125304      5.063827
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.796107849542
  N      -2.657830     -3.669598      2.619180
  C      -2.250749     -4.574551      1.531175
  C      -2.255494     -6.039875      1.961258
  N      -3.455669     -6.371910      2.745704
  C      -4.656449     -6.638058      1.950389
  C      -5.903672     -6.382327      2.785186
  N      -5.763856     -5.159165      3.587933
  Mo     -4.000645     -4.295140      3.979905
  N      -2.968181     -5.384031      5.271914
  C      -2.430952     -6.712138      4.953122
  C      -3.207854     -7.353434      3.810596
  H      -2.492503     -7.374031      5.830350
  H      -1.356703     -6.617415      4.703860
  H      -4.179776     -7.684577      4.198629
  H      -2.669744     -8.243097      3.432586
  H      -6.769253     -6.320747      2.110544
  H      -6.102743     -7.229335      3.468376
  H      -4.651031     -5.948108      1.093760
  H      -4.667219     -7.671214      1.552434
  H      -1.237138     -4.318712      1.180221
  H      -2.922568     -4.418763      0.666877
  H      -1.381995     -6.222562      2.602003
  H      -2.157349     -6.693290      1.074084
  C      -2.064243     -2.407638      2.629059
  C      -0.672798     -2.334371      2.803653
  C      -0.008905     -1.124039      2.963212
  C       1.449355     -1.124403      3.248602
  O       2.221468     -0.259132      2.891005
  C       1.966069     -2.290015      4.156296
  O       1.286729     -2.916893      4.917733
  Cl      3.716796     -2.532952      4.017968
  C      -0.716232      0.089980      2.873537
  C      -2.090606      0.038688      2.671593
  C      -2.782944     -1.185359      2.558515
  C      -4.238292     -1.203309      2.346654
  O      -5.016562     -2.112287      2.459351
  F      -4.714817      0.027835      1.956499
  C      -6.965903     -4.609475      4.069678
  C      -7.135581     -4.588239      5.465966
  C      -8.283602     -4.070539      6.063496
  C      -8.522176     -4.118155      7.528349
  O      -9.605722     -3.903230      8.036802
  C      -7.308127     -4.426780      8.462806
  O      -6.155421     -4.260046      8.196188
  Cl     -7.830363     -5.011358     10.065747
  C      -9.312344     -3.546983      5.253244
  C      -9.159748     -3.545714      3.881695
  C      -7.997558     -4.061484      3.263565
  C      -7.976145     -3.910344      1.791624
  O      -8.891841     -3.594140      1.085535
  F      -6.749025     -4.135275      1.216085
  C      -2.579256     -4.866059      6.522312
  C      -1.705436     -3.768924      6.533946
  C      -1.281605     -3.190392      7.732228
  C      -0.359169     -2.026379      7.752568
  O       0.465815     -1.826282      8.619195
  C      -0.585021     -0.959996      6.632617
  O      -1.560454     -0.873817      5.952468
  Cl      0.780436      0.191839      6.500588
  C      -1.703889     -3.725186      8.960893
  C      -2.583896     -4.794243      8.968757
  C      -3.042419     -5.371342      7.767763
  C      -4.086845     -6.410369      7.821525
  O      -4.725891     -6.900040      6.932804
  F      -4.328026     -6.829541      9.112943
  H      -0.125193     -3.272469      2.886036
  H      -0.196218      1.038317      2.999607
  H      -2.661930      0.964381      2.618466
  H      -6.340505     -5.025222      6.062623
  H     -10.212317     -3.147630      5.719237
  H      -9.933736     -3.124682      3.240554
  H      -1.337117     -3.395543      5.579240
  H      -1.360729     -3.274389      9.891675
  H      -2.958763     -5.179791      9.914792
  N      -4.445825     -3.079337      5.032189
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.797905091874
  N      -2.671922     -3.667287      2.603263
  C      -2.265753     -4.574205      1.516537
  C      -2.256246     -6.036471      1.957485
  N      -3.451727     -6.371192      2.746995
  C      -4.656498     -6.635178      1.956643
  C      -5.900654     -6.374369      2.793524
  N      -5.761626     -5.142615      3.582686
  Mo     -3.988872     -4.291436      3.981111
  N      -2.960952     -5.378213      5.283789
  C      -2.424083     -6.705083      4.958237
  C      -3.202534     -7.347147      3.816835
  H      -2.479459     -7.369843      5.833969
  H      -1.351409     -6.606540      4.703471
  H      -4.174768     -7.676751      4.205458
  H      -2.664371     -8.238933      3.443475
  H      -6.768846     -6.320411      2.121005
  H      -6.095540     -7.215374      3.485324
  H      -4.652139     -5.945522      1.099768
  H      -4.671653     -7.668649      1.559602
  H      -1.257020     -4.310714      1.157923
  H      -2.947088     -4.429006      0.658179
  H      -1.379694     -6.206485      2.597681
  H      -2.155263     -6.695172      1.074412
  C      -2.072157     -2.406149      2.621436
  C      -0.682169     -2.339930      2.806547
  C      -0.014046     -1.130560      2.966377
  C       1.444426     -1.126228      3.244979
  O       2.209569     -0.249524      2.900202
  C       1.973377     -2.303198      4.130986
  O       1.308618     -2.926590      4.907914
  Cl      3.722175     -2.545155      3.962519
  C      -0.718798      0.084234      2.878188
  C      -2.091453      0.039683      2.668430
  C      -2.786200     -1.181453      2.543251
  C      -4.239333     -1.187007      2.307029
  O      -5.029403     -2.086876      2.398048
  F      -4.695258      0.052027      1.912943
  C      -6.963937     -4.597593      4.067331
  C      -7.134214     -4.582400      5.463110
  C      -8.286339     -4.074233      6.061654
  C      -8.517162     -4.125922      7.528025
  O      -9.597196     -3.916196      8.045388
  C      -7.292784     -4.430269      8.451639
  O      -6.146445     -4.214101      8.193750
  Cl     -7.798676     -5.077024     10.036584
  C      -9.321216     -3.559798      5.254792
  C      -9.169426     -3.556516      3.882196
  C      -8.003601     -4.062148      3.263184
  C      -7.988050     -3.923159      1.789588
  O      -8.908230     -3.618175      1.084219
  F      -6.763451     -4.153636      1.212660
  C      -2.578354     -4.863036      6.536300
  C      -1.705850     -3.764788      6.556280
  C      -1.290098     -3.188470      7.758504
  C      -0.365000     -2.027009      7.787757
  O       0.444582     -1.821582      8.667679
  C      -0.547361     -0.979846      6.641268
  O      -1.519673     -0.867277      5.960490
  Cl      0.838694      0.149239      6.524302
  C      -1.721042     -3.725547      8.983343
  C      -2.600156     -4.795424      8.983153
  C      -3.048751     -5.371246      7.777825
  C      -4.092226     -6.411271      7.820762
  O      -4.729124     -6.893866      6.926522
  F      -4.344670     -6.833345      9.109471
  H      -0.139346     -3.281047      2.889693
  H      -0.196851      1.030930      3.009332
  H      -2.658055      0.967978      2.613871
  H      -6.329714     -5.004502      6.058768
  H     -10.224070     -3.170668      5.723903
  H      -9.947905     -3.144586      3.240517
  H      -1.335569     -3.386739      5.604208
  H      -1.384018     -3.276358      9.917161
  H      -2.981512     -5.183109      9.925687
  N      -4.410334     -3.038768      5.002429
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.799342799342
  N      -2.685220     -3.665512      2.587643
  C      -2.278408     -4.575431      1.504061
  C      -2.255324     -6.034051      1.956875
  N      -3.447424     -6.370355      2.750338
  C      -4.654766     -6.634036      1.963598
  C      -5.896712     -6.368853      2.801423
  N      -5.760013     -5.127235      3.575228
  Mo     -3.978572     -4.290400      3.983952
  N      -2.954041     -5.376104      5.297269
  C      -2.416551     -6.700771      4.963737
  C      -3.196919     -7.342525      3.823586
  H      -2.464879     -7.369835      5.836592
  H      -1.345606     -6.598044      4.703283
  H      -4.169208     -7.671220      4.212974
  H      -2.658741     -8.235645      3.453038
  H      -6.766680     -6.325139      2.130449
  H      -6.086993     -7.202913      3.502945
  H      -4.651205     -5.945489      1.105877
  H      -4.672757     -7.668176      1.568436
  H      -1.274344     -4.305364      1.137781
  H      -2.968156     -4.441889      0.650695
  H      -1.376950     -6.190745      2.598068
  H      -2.150232     -6.698984      1.078771
  C      -2.079110     -2.405195      2.613157
  C      -0.690503     -2.345618      2.810980
  C      -0.018069     -1.136986      2.970682
  C       1.440427     -1.126884      3.247539
  O       2.197744     -0.237588      2.917594
  C       1.983085     -2.309382      4.117695
  O       1.329147     -2.945916      4.892574
  Cl      3.720742     -2.582818      3.884180
  C      -0.719987      0.078515      2.877762
  C      -2.090909      0.040118      2.659174
  C      -2.788626     -1.178254      2.525484
  C      -4.238953     -1.172986      2.268269
  O      -5.038955     -2.064743      2.339047
  F      -4.677537      0.073667      1.873840
  C      -6.963238     -4.586125      4.062740
  C      -7.134355     -4.577937      5.458567
  C      -8.289282     -4.077136      6.059350
  C      -8.513032     -4.133118      7.526536
  O      -9.589292     -3.924253      8.052053
  C      -7.280561     -4.430341      8.441665
  O      -6.141608     -4.169241      8.193713
  Cl     -7.766577     -5.169127      9.992988
  C      -9.328551     -3.568160      5.255896
  C      -9.177464     -3.561139      3.882794
  C      -8.009285     -4.057044      3.261357
  C      -7.997436     -3.917258      1.787410
  O      -8.921489     -3.617627      1.084574
  F      -6.774517     -4.145739      1.207566
  C      -2.576947     -4.863166      6.551165
  C      -1.708060     -3.762376      6.575642
  C      -1.297309     -3.186401      7.779811
  C      -0.372723     -2.024894      7.814575
  O       0.409480     -1.802762      8.715236
  C      -0.534752     -0.985304      6.658178
  O      -1.500976     -0.865306      5.970051
  Cl      0.867995      0.123049      6.539375
  C      -1.731222     -3.726080      9.002670
  C      -2.607189     -4.798429      8.998581
  C      -3.050178     -5.374105      7.791077
  C      -4.092660     -6.414975      7.829714
  O      -4.729631     -6.894623      6.933752
  F      -4.348116     -6.839138      9.117470
  H      -0.153086     -3.289512      2.897742
  H      -0.196038      1.023845      3.011834
  H      -2.652665      0.970986      2.600606
  H      -6.324133     -4.991680      6.052729
  H     -10.233026     -3.186438      5.728124
  H      -9.958669     -3.153221      3.241649
  H      -1.338813     -3.381855      5.624568
  H      -1.397727     -3.277227      9.937981
  H      -2.990816     -5.188200      9.939415
  N      -4.380748     -3.009981      4.975814
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.800511918850
  N      -2.698171     -3.665607      2.569231
  C      -2.290997     -4.579418      1.489850
  C      -2.254827     -6.033249      1.956142
  N      -3.443577     -6.368161      2.754683
  C      -4.653573     -6.632270      1.971506
  C      -5.893302     -6.361074      2.810043
  N      -5.756832     -5.109843      3.568006
  Mo     -3.967806     -4.289179      3.985986
  N      -2.944863     -5.372225      5.308140
  C      -2.406473     -6.694712      4.968023
  C      -3.190585     -7.337093      3.830677
  H      -2.447285     -7.367354      5.838481
  H      -1.337389     -6.588364      4.701616
  H      -4.162293     -7.664482      4.222685
  H      -2.653499     -8.231622      3.461852
  H      -6.765190     -6.326915      2.140951
  H      -6.080121     -7.187530      3.521442
  H      -4.650278     -5.946011      1.112074
  H      -4.675015     -7.667428      1.579412
  H      -1.291788     -4.304478      1.114566
  H      -2.988708     -4.458177      0.641181
  H      -1.374750     -6.176169      2.598252
  H      -2.146210     -6.706047      1.084370
  C      -2.085003     -2.407628      2.600317
  C      -0.698019     -2.357983      2.807661
  C      -0.020136     -1.151365      2.968770
  C       1.436574     -1.141131      3.246550
  O       2.192654     -0.244103      2.934043
  C       1.983916     -2.350120      4.073883
  O       1.347152     -2.976282      4.871572
  Cl      3.723095     -2.608191      3.827604
  C      -0.717033      0.066063      2.873563
  C      -2.085021      0.037226      2.646525
  C      -2.787922     -1.177044      2.504718
  C      -4.235097     -1.159678      2.230625
  O      -5.043812     -2.043587      2.283663
  F      -4.658546      0.095460      1.841314
  C      -6.960171     -4.571392      4.059743
  C      -7.130301     -4.569286      5.455417
  C      -8.285357     -4.072248      6.059982
  C      -8.501342     -4.135061      7.527096
  O      -9.572472     -3.923282      8.062485
  C      -7.267303     -4.454526      8.429592
  O      -6.135469     -4.145979      8.204421
  Cl     -7.746102     -5.266596      9.946175
  C      -9.326740     -3.562825      5.260426
  C      -9.178154     -3.553262      3.886948
  C      -8.011319     -4.045587      3.261587
  C      -8.004864     -3.908017      1.787294
  O      -8.931356     -3.607237      1.088243
  F      -6.788009     -4.150660      1.202124
  C      -2.573451     -4.860900      6.563726
  C      -1.715328     -3.750987      6.595161
  C      -1.314186     -3.175859      7.803130
  C      -0.403645     -2.003720      7.847807
  O       0.353107     -1.764020      8.765900
  C      -0.551817     -0.971662      6.684130
  O      -1.513722     -0.848935      5.990187
  Cl      0.858846      0.126479      6.565921
  C      -1.745019     -3.726491      9.022380
  C      -2.609820     -4.807406      9.011774
  C      -3.045440     -5.380986      7.800675
  C      -4.081105     -6.428465      7.832384
  O      -4.713208     -6.908181      6.932961
  F      -4.331344     -6.865454      9.116832
  H      -0.167400     -3.305288      2.897892
  H      -0.188658      1.008374      3.011493
  H      -2.640096      0.971695      2.585544
  H      -6.317206     -4.980772      6.047533
  H     -10.230890     -3.184300      5.735778
  H      -9.961442     -3.146226      3.247697
  H      -1.349979     -3.360885      5.646114
  H      -1.418280     -3.278233      9.960259
  H      -2.992098     -5.204941      9.949894
  N      -4.354031     -2.985932      4.952881
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.801570401440
  N      -2.715221     -3.659424      2.559665
  C      -2.301567     -4.576255      1.485797
  C      -2.249847     -6.025242      1.964869
  N      -3.436757     -6.360988      2.765364
  C      -4.646518     -6.628763      1.982156
  C      -5.886651     -6.354456      2.818898
  N      -5.753520     -5.094303      3.562575
  Mo     -3.962757     -4.285591      3.993216
  N      -2.941414     -5.362525      5.322565
  C      -2.398449     -6.682492      4.979638
  C      -3.182165     -7.327547      3.843597
  H      -2.433188     -7.357538      5.848614
  H      -1.330539     -6.570781      4.710942
  H      -4.153517     -7.655025      4.236470
  H      -2.644230     -8.222436      3.476910
  H      -6.759626     -6.330089      2.150239
  H      -6.070409     -7.174266      3.538724
  H      -4.642898     -5.944953      1.120901
  H      -4.668048     -7.664954      1.592980
  H      -1.307014     -4.294041      1.104052
  H      -3.004077     -4.468887      0.639202
  H      -1.369522     -6.152384      2.610035
  H      -2.133415     -6.705813      1.100102
  C      -2.098188     -2.401632      2.592917
  C      -0.712587     -2.358021      2.809797
  C      -0.030471     -1.152777      2.967216
  C       1.425916     -1.140469      3.244301
  O       2.174864     -0.229208      2.955307
  C       1.981789     -2.360583      4.044620
  O       1.353598     -3.001056      4.837566
  Cl      3.706912     -2.650211      3.735318
  C      -0.723763      0.065942      2.864971
  C      -2.089879      0.042855      2.629441
  C      -2.796622     -1.169170      2.485572
  C      -4.241003     -1.144743      2.197861
  O      -5.054240     -2.024649      2.235314
  F      -4.655039      0.116608      1.813120
  C      -6.959414     -4.562060      4.056516
  C      -7.131436     -4.564739      5.451264
  C      -8.288472     -4.071627      6.056635
  C      -8.502924     -4.141103      7.522362
  O      -9.569896     -3.918443      8.062993
  C      -7.272892     -4.478351      8.418603
  O      -6.147908     -4.127625      8.220864
  Cl     -7.744700     -5.382101      9.883961
  C      -9.328954     -3.561484      5.256732
  C      -9.179305     -3.550476      3.883334
  C      -8.012641     -4.041444      3.257731
  C      -8.007768     -3.913202      1.782733
  O      -8.930758     -3.599206      1.084904
  F      -6.795887     -4.174808      1.196983
  C      -2.576860     -4.852374      6.580406
  C      -1.724689     -3.738168      6.618864
  C      -1.327570     -3.167499      7.830168
  C      -0.417199     -1.995589      7.882659
  O       0.328575     -1.753651      8.809714
  C      -0.510436     -0.991831      6.691384
  O      -1.461482     -0.847052      5.986509
  Cl      0.948479      0.037738      6.551962
  C      -1.759438     -3.725476      9.045846
  C      -2.618360     -4.810740      9.028555
  C      -3.047645     -5.381778      7.813707
  C      -4.074959     -6.437399      7.837529
  O      -4.702131     -6.915952      6.933882
  F      -4.325717     -6.882430      9.118766
  H      -0.186784     -3.307294      2.907287
  H      -0.191515      1.006267      3.001875
  H      -2.640215      0.979534      2.561960
  H      -6.318188     -4.976031      6.044291
  H     -10.234550     -3.185329      5.731237
  H      -9.963685     -3.145445      3.244074
  H      -1.360916     -3.342153      5.671743
  H      -1.435452     -3.280671      9.986247
  H      -2.999541     -5.215524      9.963981
  N      -4.342605     -2.963443      4.940468
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.802464113459
  N      -2.729691     -3.658270      2.547112
  C      -2.312182     -4.579212      1.478411
  C      -2.247183     -6.023894      1.968626
  N      -3.431126     -6.359279      2.773604
  C      -4.642448     -6.631380      1.993197
  C      -5.881136     -6.351494      2.830602
  N      -5.748770     -5.081353      3.558504
  Mo     -3.956726     -4.286615      3.997925
  N      -2.934594     -5.358385      5.329832
  C      -2.386977     -6.676344      4.985274
  C      -3.172622     -7.324482      3.852548
  H      -2.415121     -7.352320      5.853755
  H      -1.320494     -6.559902      4.713259
  H      -4.142785     -7.651469      4.248893
  H      -2.635424     -8.219784      3.485844
  H      -6.756573     -6.336710      2.164699
  H      -6.060861     -7.163576      3.560127
  H      -4.640305     -5.951834      1.128660
  H      -4.664927     -7.669353      1.609035
  H      -1.322093     -4.291654      1.089301
  H      -3.019107     -4.483722      0.634028
  H      -1.365711     -6.137461      2.614897
  H      -2.125680     -6.712148      1.110639
  C      -2.107278     -2.401590      2.578978
  C      -0.721621     -2.364665      2.800454
  C      -0.032853     -1.161429      2.950716
  C       1.424101     -1.148494      3.224956
  O       2.166997     -0.226474      2.953094
  C       1.987668     -2.372285      4.010091
  O       1.374882     -3.003578      4.821943
  Cl      3.702647     -2.678951      3.658135
  C      -0.720951      0.059539      2.839907
  C      -2.086103      0.042996      2.602693
  C      -2.799204     -1.166019      2.462652
  C      -4.242417     -1.133436      2.169272
  O      -5.058872     -2.009873      2.194450
  F      -4.648817      0.133883      1.791872
  C      -6.955407     -4.552989      4.057453
  C      -7.126250     -4.561656      5.452180
  C      -8.282076     -4.069052      6.061121
  C      -8.493732     -4.143889      7.526046
  O      -9.552524     -3.896917      8.073551
  C      -7.268413     -4.498580      8.416320
  O      -6.149263     -4.117220      8.241595
  Cl     -7.726517     -5.505509      9.816597
  C      -9.321045     -3.552629      5.263149
  C      -9.172629     -3.537005      3.889663
  C      -8.008115     -4.028794      3.260743
  C      -8.003831     -3.895081      1.786116
  O      -8.923595     -3.563641      1.092005
  F      -6.798694     -4.175907      1.196238
  C      -2.578342     -4.850897      6.590919
  C      -1.735063     -3.730434      6.638197
  C      -1.348510     -3.161699      7.853659
  C      -0.444101     -1.985755      7.916861
  O       0.260205     -1.721449      8.870504
  C      -0.512088     -0.990676      6.718756
  O      -1.455605     -0.838333      6.004802
  Cl      0.957790      0.023468      6.590482
  C      -1.784074     -3.727186      9.064827
  C      -2.633393     -4.819572      9.038749
  C      -3.051168     -5.389734      7.819099
  C      -4.069943     -6.454046      7.832750
  O      -4.690385     -6.931448      6.923579
  F      -4.327019     -6.903552      9.110796
  H      -0.201443     -3.316271      2.904082
  H      -0.182792      0.997398      2.971335
  H      -2.631033      0.982333      2.528792
  H      -6.314386     -4.978835      6.044031
  H     -10.225538     -3.174718      5.738634
  H      -9.956879     -3.127041      3.253301
  H      -1.370261     -3.328833      5.694073
  H      -1.468175     -3.283516     10.008576
  H      -3.016121     -5.231411      9.970484
  N      -4.331127     -2.952735      4.931513
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.803172362452
  N      -2.744702     -3.653967      2.539176
  C      -2.320407     -4.578540      1.476203
  C      -2.241441     -6.019391      1.975836
  N      -3.422501     -6.357525      2.784166
  C      -4.633926     -6.637225      2.005183
  C      -5.872893     -6.353223      2.841183
  N      -5.744879     -5.072483      3.553398
  Mo     -3.955589     -4.288485      4.003825
  N      -2.930558     -5.353054      5.337282
  C      -2.374112     -6.668144      4.993014
  C      -3.158627     -7.321831      3.862993
  H      -2.394989     -7.343653      5.861817
  H      -1.309130     -6.544405      4.718889
  H      -4.127021     -7.650692      4.262239
  H      -2.619897     -8.215885      3.495629
  H      -6.749706     -6.349198      2.177107
  H      -6.048148     -7.157579      3.580245
  H      -4.633817     -5.963133      1.136470
  H      -4.654210     -7.677459      1.627392
  H      -1.334285     -4.284528      1.081909
  H      -3.029484     -4.494831      0.632292
  H      -1.359388     -6.119232      2.623758
  H      -2.113103     -6.714343      1.124291
  C      -2.119271     -2.398037      2.569900
  C      -0.733692     -2.364589      2.797641
  C      -0.041189     -1.162813      2.945845
  C       1.414810     -1.150401      3.224730
  O       2.155483     -0.220034      2.974194
  C       1.986030     -2.391960      3.972130
  O       1.387459     -3.032659      4.786962
  Cl      3.681037     -2.726096      3.550116
  C      -0.725429      0.059858      2.827118
  C      -2.088825      0.047198      2.584209
  C      -2.805890     -1.159977      2.445889
  C      -4.248281     -1.121538      2.146830
  O      -5.065128     -1.996840      2.158717
  F      -4.650672      0.151595      1.781989
  C      -6.953751     -4.548851      4.054983
  C      -7.126633     -4.564709      5.449267
  C      -8.281099     -4.070560      6.058960
  C      -8.491997     -4.148318      7.523140
  O      -9.544062     -3.883133      8.076526
  C      -7.279322     -4.545026      8.406410
  O      -6.171517     -4.111123      8.290074
  Cl     -7.752435     -5.609460      9.757481
  C      -9.316076     -3.545049      5.261647
  C      -9.166114     -3.523406      3.888518
  C      -8.002504     -4.016910      3.258542
  C      -7.995122     -3.870601      1.784684
  O      -8.910139     -3.519090      1.094105
  F      -6.798960     -4.177275      1.190065
  C      -2.580396     -4.846044      6.600571
  C      -1.742735     -3.721464      6.652265
  C      -1.360458     -3.154385      7.869807
  C      -0.458140     -1.976981      7.939238
  O       0.213720     -1.695079      8.911658
  C      -0.493853     -0.995658      6.730331
  O      -1.430807     -0.828213      6.010707
  Cl      1.000114     -0.019063      6.599865
  C      -1.796429     -3.724859      9.078816
  C      -2.639993     -4.821232      9.048414
  C      -3.053498     -5.390244      7.826389
  C      -4.069539     -6.457737      7.837174
  O      -4.685635     -6.937767      6.926183
  F      -4.318032     -6.917583      9.112821
  H      -0.217433     -3.317566      2.908115
  H      -0.183276      0.995862      2.956077
  H      -2.630353      0.988021      2.504112
  H      -6.319142     -4.990857      6.041251
  H     -10.219358     -3.163163      5.736580
  H      -9.947802     -3.105359      3.254217
  H      -1.379135     -3.316193      5.709401
  H      -1.483902     -3.282030     10.024149
  H      -3.022601     -5.237193      9.978447
  N      -4.331113     -2.951433      4.928006
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.803848514211
  N      -2.760025     -3.650606      2.532561
  C      -2.331585     -4.579153      1.474513
  C      -2.239723     -6.016187      1.982611
  N      -3.415974     -6.357036      2.796909
  C      -4.629035     -6.645260      2.021984
  C      -5.867178     -6.355180      2.857295
  N      -5.741660     -5.063894      3.552957
  Mo     -3.956044     -4.289091      4.009982
  N      -2.925894     -5.344832      5.343360
  C      -2.359360     -6.657171      5.001109
  C      -3.143544     -7.319106      3.875660
  H      -2.371655     -7.329836      5.872014
  H      -1.296442     -6.525256      4.723602
  H      -4.108930     -7.650683      4.279982
  H      -2.602836     -8.211376      3.507279
  H      -6.745983     -6.360434      2.195885
  H      -6.038344     -7.150920      3.606419
  H      -4.631977     -5.978481      1.147763
  H      -4.648031     -7.688393      1.652826
  H      -1.349463     -4.279856      1.074455
  H      -3.043352     -4.505821      0.631860
  H      -1.355623     -6.103975      2.629627
  H      -2.107371     -6.717110      1.136729
  C      -2.131753     -2.396325      2.561122
  C      -0.746639     -2.366227      2.793525
  C      -0.050984     -1.166323      2.940626
  C       1.402427     -1.157823      3.227373
  O       2.145577     -0.222502      3.002253
  C       1.972951     -2.423214      3.930932
  O       1.391648     -3.060413      4.761207
  Cl      3.654406     -2.768342      3.463041
  C      -0.730462      0.058404      2.814571
  C      -2.091613      0.049910      2.565399
  C      -2.812550     -1.155504      2.429901
  C      -4.254551     -1.110847      2.126257
  O      -5.071757     -1.985175      2.126343
  F      -4.654192      0.167907      1.776883
  C      -6.951535     -4.542106      4.055344
  C      -7.127948     -4.560479      5.448395
  C      -8.280030     -4.058488      6.055481
  C      -8.491702     -4.133345      7.519415
  O      -9.533531     -3.838633      8.077761
  C      -7.294476     -4.569509      8.399309
  O      -6.185956     -4.129333      8.314804
  Cl     -7.765346     -5.755109      9.645338
  C      -9.308386     -3.522607      5.257010
  C      -9.155717     -3.500343      3.884251
  C      -7.994261     -4.002465      3.256761
  C      -7.983434     -3.854281      1.782632
  O      -8.887964     -3.472587      1.094447
  F      -6.799952     -4.200424      1.185298
  C      -2.581473     -4.839165      6.609530
  C      -1.755857     -3.705448      6.666950
  C      -1.378287     -3.141680      7.887648
  C      -0.488739     -1.954786      7.964433
  O       0.168280     -1.662824      8.944405
  C      -0.492159     -0.991131      6.742769
  O      -1.425209     -0.803297      6.022856
  Cl      1.032522     -0.067444      6.596831
  C      -1.806104     -3.724881      9.093742
  C      -2.636611     -4.830588      9.057709
  C      -3.046027     -5.396580      7.832733
  C      -4.046793     -6.478720      7.840505
  O      -4.659524     -6.961968      6.928880
  F      -4.282084     -6.950919      9.113626
  H      -0.234176     -3.320388      2.911196
  H      -0.184146      0.992201      2.941543
  H      -2.629737      0.992003      2.479026
  H      -6.326564     -4.995665      6.042386
  H     -10.209418     -3.132652      5.729660
  H      -9.933170     -3.075252      3.249603
  H      -1.399943     -3.288861      5.725683
  H      -1.497249     -3.284064     10.041100
  H      -3.012216     -5.257332      9.985704
  N      -4.333451     -2.949542      4.927985
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.804371244614
  N      -2.770966     -3.650393      2.524318
  C      -2.343701     -4.581371      1.467645
  C      -2.240358     -6.015615      1.980827
  N      -3.409496     -6.359559      2.803934
  C      -4.626626     -6.654277      2.036187
  C      -5.861895     -6.357799      2.873670
  N      -5.735296     -5.058371      3.555200
  Mo     -3.952163     -4.291326      4.013281
  N      -2.915935     -5.340517      5.343963
  C      -2.341078     -6.650619      5.002717
  C      -3.126285     -7.319443      3.881761
  H      -2.345555     -7.320384      5.875849
  H      -1.280266     -6.511247      4.721255
  H      -4.088069     -7.654468      4.291938
  H      -2.583680     -8.209423      3.511025
  H      -6.744139     -6.368533      2.216457
  H      -6.029032     -7.145877      3.631591
  H      -4.633622     -5.994371      1.156869
  H      -4.646424     -7.700140      1.675374
  H      -1.365821     -4.277737      1.060693
  H      -3.060469     -4.515081      0.628651
  H      -1.351858     -6.095297      2.622932
  H      -2.108922     -6.720016      1.137776
  C      -2.138755     -2.397994      2.549957
  C      -0.752696     -2.371754      2.779322
  C      -0.051464     -1.173835      2.917644
  C       1.402678     -1.167763      3.197693
  O       2.141282     -0.222656      2.998972
  C       1.974861     -2.434593      3.895901
  O       1.410404     -3.053312      4.751321
  Cl      3.639118     -2.804920      3.385929
  C      -0.726698      0.052881      2.787499
  C      -2.087939      0.048847      2.542379
  C      -2.814130     -1.154339      2.414412
  C      -4.256902     -1.102701      2.110963
  O      -5.075346     -1.975844      2.099906
  F      -4.654117      0.180489      1.775911
  C      -6.943375     -4.535695      4.060299
  C      -7.119889     -4.556789      5.452564
  C      -8.268262     -4.045571      6.059131
  C      -8.477951     -4.120742      7.523042
  O      -9.501390     -3.781529      8.090721
  C      -7.294371     -4.601758      8.394083
  O      -6.190186     -4.143887      8.357204
  Cl     -7.780434     -5.850516      9.570144
  C      -9.290207     -3.496093      5.262425
  C      -9.137170     -3.472851      3.889341
  C      -7.980984     -3.987517      3.262048
  C      -7.969818     -3.844932      1.787071
  O      -8.858257     -3.422420      1.101976
  F      -6.804060     -4.241609      1.187032
  C      -2.581236     -4.839041      6.614968
  C      -1.768914     -3.696488      6.683988
  C      -1.405183     -3.135884      7.910466
  C      -0.534499     -1.936211      8.000382
  O       0.090413     -1.624888      8.995555
  C      -0.522620     -0.977893      6.775831
  O      -1.452279     -0.782144      6.053221
  Cl      1.015086     -0.078260      6.626492
  C      -1.831861     -3.732483      9.110465
  C      -2.648197     -4.848099      9.062715
  C      -3.044856     -5.410301      7.831784
  C      -4.031126     -6.505743      7.827188
  O      -4.643789     -6.980385      6.910982
  F      -4.274520     -6.982361      9.096850
  H      -0.243753     -3.327347      2.899698
  H      -0.175330      0.984681      2.906813
  H      -2.622526      0.992392      2.451443
  H      -6.322611     -5.000586      6.046509
  H     -10.187380     -3.097992      5.735570
  H      -9.910907     -3.040384      3.255316
  H      -1.415414     -3.268080      5.746997
  H      -1.533945     -3.293445     10.062069
  H      -3.023146     -5.285883      9.985764
  N      -4.329594     -2.946737      4.929693
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.804814884604
  N      -2.782190     -3.648349      2.518758
  C      -2.354470     -4.582045      1.464291
  C      -2.238840     -6.013623      1.982591
  N      -3.400756     -6.363323      2.813499
  C      -4.620970     -6.668156      2.053412
  C      -5.854228     -6.367492      2.892569
  N      -5.730746     -5.058157      3.556945
  Mo     -3.951479     -4.293375      4.016430
  N      -2.907725     -5.334036      5.347507
  C      -2.323142     -6.641427      5.008839
  C      -3.106187     -7.319032      3.891681
  H      -2.320012     -7.307384      5.884749
  H      -1.264437     -6.493535      4.724082
  H      -4.064293     -7.659730      4.306000
  H      -2.558700     -8.205591      3.520101
  H      -6.739389     -6.387968      2.239516
  H      -6.014604     -7.146473      3.661178
  H      -4.633419     -6.016720      1.167929
  H      -4.638549     -7.717493      1.703011
  H      -1.380464     -4.273386      1.051894
  H      -3.075620     -4.523758      0.628495
  H      -1.346249     -6.084912      2.620054
  H      -2.107277     -6.720531      1.141620
  C      -2.149609     -2.396284      2.543099
  C      -0.763498     -2.369450      2.773989
  C      -0.060697     -1.172261      2.909226
  C       1.393547     -1.167108      3.188357
  O       2.130691     -0.217034      3.008479
  C       1.975471     -2.446939      3.854205
  O       1.437779     -3.064175      4.727161
  Cl      3.607646     -2.843688      3.264189
  C      -0.734710      0.054953      2.776025
  C      -2.096237      0.051092      2.529733
  C      -2.823364     -1.151929      2.403854
  C      -4.266412     -1.097360      2.096802
  O      -5.083819     -1.971495      2.070371
  F      -4.663923      0.188887      1.776370
  C      -6.937941     -4.533786      4.062266
  C      -7.116241     -4.558351      5.454499
  C      -8.262100     -4.039127      6.059085
  C      -8.469536     -4.113300      7.523317
  O      -9.475788     -3.739407      8.100089
  C      -7.299632     -4.636511      8.386429
  O      -6.201475     -4.163434      8.402503
  Cl     -7.794493     -5.966443      9.466820
  C      -9.277966     -3.477700      5.263765
  C      -9.122072     -3.450482      3.890643
  C      -7.969197     -3.973851      3.264302
  C      -7.951805     -3.822778      1.789732
  O      -8.823558     -3.363385      1.107133
  F      -6.804694     -4.266781      1.186895
  C      -2.583899     -4.833597      6.621659
  C      -1.775043     -3.689579      6.698884
  C      -1.423078     -3.129541      7.928987
  C      -0.554648     -1.929316      8.027459
  O       0.033201     -1.596867      9.038509
  C      -0.503492     -0.989175      6.790264
  O      -1.424091     -0.769893      6.062618
  Cl      1.056873     -0.128735      6.650980
  C      -1.860866     -3.726741      9.124693
  C      -2.674222     -4.844283      9.068560
  C      -3.057787     -5.406542      7.833463
  C      -4.043938     -6.502211      7.817782
  O      -4.633746     -6.988042      6.892346
  F      -4.273865     -7.005099      9.079898
  H      -0.255720     -3.325431      2.897205
  H      -0.182326      0.986585      2.892294
  H      -2.630231      0.994583      2.435208
  H      -6.322592     -5.009220      6.048875
  H     -10.171764     -3.072894      5.737688
  H      -9.890222     -3.008520      3.256436
  H      -1.415028     -3.259610      5.765277
  H      -1.572486     -3.287434     10.079141
  H      -3.057235     -5.283267      9.987662
  N      -4.332316     -2.945374      4.929186
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.805222565409
  N      -2.792562     -3.644877      2.515111
  C      -2.364626     -4.580549      1.461821
  C      -2.235528     -6.010033      1.983366
  N      -3.389145     -6.368857      2.822123
  C      -4.612388     -6.686699      2.071489
  C      -5.843484     -6.385064      2.913546
  N      -5.726663     -5.065166      3.559476
  Mo     -3.952028     -4.296204      4.018775
  N      -2.897645     -5.327816      5.351137
  C      -2.300600     -6.630600      5.013552
  C      -3.080067     -7.318935      3.900675
  H      -2.287301     -7.292846      5.892084
  H      -1.244773     -6.471538      4.724028
  H      -4.033114     -7.668943      4.319073
  H      -2.524457     -8.200074      3.528008
  H      -6.731619     -6.418782      2.265437
  H      -5.993706     -7.154446      3.693782
  H      -4.632705     -6.044360      1.179574
  H      -4.625247     -7.739813      1.732246
  H      -1.394600     -4.266155      1.044176
  H      -3.090750     -4.530119      0.629853
  H      -1.338342     -6.073618      2.615262
  H      -2.103926     -6.717457      1.142585
  C      -2.163534     -2.391620      2.539754
  C      -0.778031     -2.360618      2.773310
  C      -0.077445     -1.162984      2.911682
  C       1.375953     -1.160748      3.194289
  O       2.115463     -0.208672      3.035104
  C       1.967623     -2.464415      3.804241
  O       1.461866     -3.091553      4.688822
  Cl      3.561192     -2.876504      3.122519
  C      -0.752934      0.063676      2.779811
  C      -2.114726      0.056275      2.529168
  C      -2.839126     -1.148252      2.399783
  C      -4.282130     -1.094355      2.087264
  O      -5.096269     -1.970906      2.042288
  F      -4.682949      0.194222      1.784986
  C      -6.934216     -4.537878      4.061615
  C      -7.117810     -4.563895      5.454297
  C      -8.261818     -4.034368      6.053650
  C      -8.466149     -4.099513      7.518575
  O      -9.460746     -3.705236      8.102044
  C      -7.308693     -4.656329      8.377162
  O      -6.223031     -4.162639      8.456457
  Cl     -7.806677     -6.065110      9.354225
  C      -9.271130     -3.463699      5.257377
  C      -9.109163     -3.433611      3.884869
  C      -7.957437     -3.964430      3.262300
  C      -7.928249     -3.797395      1.788949
  O      -8.781698     -3.302383      1.108031
  F      -6.801593     -4.288796      1.183338
  C      -2.584975     -4.827959      6.628174
  C      -1.777047     -3.683796      6.712445
  C      -1.433275     -3.125365      7.945650
  C      -0.562473     -1.927835      8.050992
  O      -0.005468     -1.577433      9.073618
  C      -0.465210     -1.009149      6.799849
  O      -1.370901     -0.768000      6.060645
  Cl      1.131805     -0.219233      6.655407
  C      -1.881892     -3.721795      9.137764
  C      -2.694550     -4.839816      9.074651
  C      -3.067121     -5.402396      7.836326
  C      -4.051750     -6.499669      7.813267
  O      -4.652411     -6.970516      6.886781
  F      -4.305735     -6.988411      9.076843
  H      -0.268986     -3.316260      2.897778
  H      -0.203249      0.996799      2.898385
  H      -2.650889      0.998652      2.434229
  H      -6.328522     -5.019815      6.051224
  H     -10.161860     -3.051125      5.730798
  H      -9.869356     -2.981448      3.248028
  H      -1.410847     -3.252825      5.781621
  H      -1.600151     -3.283092     10.094692
  H      -3.084439     -5.279697      9.990606
  N      -4.337871     -2.949957      4.926697
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.805630979402
  N      -2.802755     -3.646092      2.513151
  C      -2.380619     -4.583280      1.458695
  C      -2.240018     -6.010894      1.982302
  N      -3.383986     -6.375627      2.831299
  C      -4.611940     -6.703313      2.092275
  C      -5.838675     -6.398436      2.939298
  N      -5.723068     -5.070087      3.567967
  Mo     -3.951296     -4.298325      4.022932
  N      -2.887196     -5.322249      5.354028
  C      -2.280056     -6.620708      5.016567
  C      -3.059427     -7.319588      3.910099
  H      -2.254983     -7.279132      5.897757
  H      -1.227857     -6.451663      4.719915
  H      -4.006323     -7.678365      4.334849
  H      -2.497014     -8.195733      3.535950
  H      -6.730918     -6.442478      2.297449
  H      -5.979741     -7.158238      3.730340
  H      -4.639625     -6.069576      1.194632
  H      -4.623938     -7.759662      1.763380
  H      -1.415442     -4.265602      1.032614
  H      -3.114467     -4.538295      0.633444
  H      -1.336622     -6.069721      2.605709
  H      -2.112610     -6.718068      1.140641
  C      -2.174074     -2.393064      2.534983
  C      -0.788155     -2.362073      2.763132
  C      -0.086857     -1.164734      2.898895
  C       1.366789     -1.166238      3.175390
  O       2.103728     -0.206906      3.051103
  C       1.959914     -2.480269      3.759252
  O       1.478708     -3.100647      4.661877
  Cl      3.524389     -2.910216      3.020980
  C      -0.762438      0.062052      2.771728
  C      -2.124837      0.054831      2.524730
  C      -2.849678     -1.149481      2.395814
  C      -4.292606     -1.093448      2.081063
  O      -5.105286     -1.970249      2.019235
  F      -4.695315      0.198458      1.799499
  C      -6.929127     -4.535131      4.064416
  C      -7.120739     -4.558618      5.455362
  C      -8.260387     -4.012503      6.047143
  C      -8.462160     -4.067576      7.512143
  O      -9.439956     -3.642728      8.102345
  C      -7.329882     -4.680264      8.364519
  O      -6.245549     -4.198092      8.504967
  Cl     -7.859514     -6.150524      9.230200
  C      -9.257878     -3.427403      5.247436
  C      -9.088080     -3.399943      3.875842
  C      -7.940951     -3.947793      3.260486
  C      -7.898012     -3.779856      1.787410
  O      -8.718720     -3.235203      1.104657
  F      -6.797940     -4.332685      1.185431
  C      -2.582121     -4.824222      6.633974
  C      -1.785154     -3.672825      6.725994
  C      -1.450034     -3.117531      7.963405
  C      -0.596910     -1.908532      8.077875
  O      -0.063737     -1.542602      9.107839
  C      -0.477630     -0.999948      6.822238
  O      -1.378170     -0.741419      6.082591
  Cl      1.136267     -0.246011      6.676464
  C      -1.892992     -3.726305      9.151298
  C      -2.691454     -4.853812      9.080717
  C      -3.057439     -5.411753      7.838674
  C      -4.025069     -6.523450      7.808822
  O      -4.623957     -6.993039      6.880745
  F      -4.256314     -7.036684      9.066949
  H      -0.279125     -3.317968      2.886170
  H      -0.212785      0.995220      2.889001
  H      -2.660851      0.997270      2.431193
  H      -6.338132     -5.019912      6.056837
  H     -10.144039     -3.002019      5.717892
  H      -9.837408     -2.937144      3.233900
  H      -1.424785     -3.231091      5.797842
  H      -1.617553     -3.289978     10.110989
  H      -3.075760     -5.304866      9.993532
  N      -4.337562     -2.950770      4.929290
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.805988861197
  N      -2.810962     -3.647516      2.511752
  C      -2.395386     -4.583996      1.454003
  C      -2.241676     -6.010295      1.977720
  N      -3.375490     -6.382649      2.836483
  C      -4.607862     -6.720239      2.109084
  C      -5.830052     -6.416027      2.963209
  N      -5.716624     -5.081393      3.577660
  Mo     -3.947870     -4.300743      4.025289
  N      -2.873243     -5.317545      5.354343
  C      -2.256213     -6.610935      5.016033
  C      -3.034591     -7.320240      3.915436
  H      -2.218778     -7.266641      5.898911
  H      -1.207742     -6.431740      4.712229
  H      -3.974606     -7.690255      4.345533
  H      -2.463348     -8.190116      3.539884
  H      -6.727272     -6.471002      2.328882
  H      -5.959081     -7.168089      3.763401
  H      -4.644091     -6.092976      1.207474
  H      -4.618010     -7.779045      1.787944
  H      -1.435929     -4.262031      1.018575
  H      -3.138306     -4.544008      0.636930
  H      -1.331732     -6.064970      2.591803
  H      -2.118565     -6.715312      1.133550
  C      -2.185071     -2.393014      2.530827
  C      -0.798722     -2.361097      2.751849
  C      -0.098140     -1.163613      2.888876
  C       1.356204     -1.168731      3.159719
  O       2.091973     -0.205365      3.060279
  C       1.955379     -2.494529      3.704844
  O       1.506332     -3.116055      4.622718
  Cl      3.484429     -2.933987      2.898103
  C      -0.775758      0.062557      2.771311
  C      -2.139423      0.054003      2.529532
  C      -2.863576     -1.150475      2.397315
  C      -4.306440     -1.094701      2.081932
  O      -5.116092     -1.972834      1.999792
  F      -4.714024      0.200453      1.826071
  C      -6.920957     -4.538272      4.068956
  C      -7.119569     -4.561478      5.458726
  C      -8.255155     -4.001818      6.045612
  C      -8.455118     -4.052350      7.510026
  O      -9.408244     -3.583841      8.107708
  C      -7.336317     -4.692079      8.359077
  O      -6.261027     -4.209340      8.553546
  Cl     -7.877096     -6.209494      9.136109
  C      -9.240616     -3.400800      5.242970
  C      -9.062807     -3.372229      3.872443
  C      -7.921375     -3.936012      3.261978
  C      -7.866603     -3.769296      1.789375
  O      -8.646352     -3.168444      1.106420
  F      -6.803598     -4.392918      1.188945
  C      -2.580406     -4.821115      6.637512
  C      -1.788779     -3.667091      6.739616
  C      -1.471450     -3.111136      7.981614
  C      -0.630289     -1.895277      8.107246
  O      -0.130271     -1.511822      9.147591
  C      -0.469554     -1.004512      6.844824
  O      -1.353819     -0.727816      6.091898
  Cl      1.166666     -0.297955      6.712640
  C      -1.924635     -3.723859      9.163594
  C      -2.715795     -4.855789      9.082961
  C      -3.066135     -5.412552      7.836099
  C      -4.029818     -6.527062      7.792877
  O      -4.621758     -6.991965      6.858101
  F      -4.256416     -7.058483      9.044212
  H      -0.288375     -3.316853      2.869841
  H      -0.228110      0.996477      2.890889
  H      -2.676473      0.996299      2.441883
  H      -6.341657     -5.026975      6.063324
  H     -10.122867     -2.965336      5.711395
  H      -9.801813     -2.898512      3.226502
  H      -1.422457     -3.221939      5.815352
  H      -1.663300     -3.286693     10.126710
  H      -3.108193     -5.309947      9.990725
  N      -4.335006     -2.951393      4.930971
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.806280195459
  N      -2.817885     -3.651157      2.510050
  C      -2.410270     -4.588265      1.449714
  C      -2.244793     -6.013200      1.974686
  N      -3.369053     -6.390721      2.843504
  C      -4.605870     -6.738054      2.128252
  C      -5.822726     -6.433715      2.990807
  N      -5.710645     -5.092363      3.589243
  Mo     -3.943533     -4.302693      4.028063
  N      -2.859934     -5.313390      5.355514
  C      -2.235320     -6.602398      5.017356
  C      -3.013522     -7.321593      3.923296
  H      -2.186478     -7.255238      5.902076
  H      -1.190177     -6.415747      4.706462
  H      -3.947160     -7.701352      4.358527
  H      -2.434533     -8.186220      3.547194
  H      -6.725661     -6.501338      2.365909
  H      -5.937813     -7.177270      3.800858
  H      -4.651297     -6.117139      1.222900
  H      -4.614512     -7.799195      1.814607
  H      -1.456827     -4.263517      1.003447
  H      -3.162751     -4.553444      0.641442
  H      -1.328656     -6.063785      2.579734
  H      -2.126373     -6.717157      1.128885
  C      -2.193639     -2.394866      2.523267
  C      -0.806249     -2.362344      2.736920
  C      -0.106004     -1.164467      2.874941
  C       1.349559     -1.170713      3.141459
  O       2.081007     -0.201629      3.064389
  C       1.958768     -2.500594      3.657726
  O       1.540425     -3.124195      4.587973
  Cl      3.453727     -2.946905      2.790027
  C      -0.785909      0.060913      2.765875
  C      -2.150952      0.050983      2.530233
  C      -2.875076     -1.153395      2.396111
  C      -4.318119     -1.098506      2.083449
  O      -5.123665     -1.978143      1.979750
  F      -4.732043      0.199762      1.855452
  C      -6.912718     -4.538338      4.075114
  C      -7.117864     -4.562819      5.463826
  C      -8.247875     -3.990014      6.048052
  C      -8.442591     -4.037411      7.511785
  O      -9.384569     -3.555744      8.117185
  C      -7.345818     -4.722749      8.351762
  O      -6.279618     -4.252717      8.613118
  Cl     -7.902859     -6.296698      9.000353
  C      -9.221567     -3.372398      5.243443
  C      -9.035130     -3.338515      3.874197
  C      -7.899624     -3.916390      3.266365
  C      -7.830892     -3.739116      1.795954
  O      -8.568940     -3.084133      1.117216
  F      -6.813174     -4.431151      1.190498
  C      -2.579124     -4.816762      6.640712
  C      -1.793933     -3.659731      6.750817
  C      -1.496522     -3.099457      7.995756
  C      -0.665364     -1.878079      8.129053
  O      -0.204807     -1.471991      9.179348
  C      -0.462575     -1.009245      6.859441
  O      -1.330073     -0.712600      6.094278
  Cl      1.196084     -0.355532      6.738576
  C      -1.962885     -3.711895      9.172743
  C      -2.744813     -4.849699      9.084219
  C      -3.075047     -5.410638      7.833691
  C      -4.028675     -6.533435      7.778344
  O      -4.610780     -6.998005      6.837322
  F      -4.256718     -7.074687      9.025052
  H      -0.294699     -3.317923      2.850126
  H      -0.240249      0.995703      2.887370
  H      -2.688798      0.993346      2.448697
  H      -6.345075     -5.034808      6.070762
  H     -10.099505     -2.926816      5.710459
  H      -9.762645     -2.849887      3.226199
  H      -1.420029     -3.214890      5.829631
  H      -1.717605     -3.270854     10.138279
  H      -3.145261     -5.305452      9.987617
  N      -4.329602     -2.950250      4.932105
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.806505108857
  N      -2.826537     -3.653362      2.511812
  C      -2.422664     -4.590286      1.449910
  C      -2.245686     -6.013734      1.976356
  N      -3.363153     -6.396502      2.851782
  C      -4.601542     -6.752616      2.143142
  C      -5.816312     -6.449598      3.009851
  N      -5.708061     -5.103263      3.596214
  Mo     -3.943428     -4.305808      4.033296
  N      -2.853769     -5.311819      5.360770
  C      -2.221080     -6.595812      5.021862
  C      -2.996848     -7.323067      3.931609
  H      -2.162483     -7.247217      5.907224
  H      -1.178566     -6.402144      4.706254
  H      -3.925566     -7.711720      4.369244
  H      -2.410545     -8.182582      3.554855
  H      -6.722690     -6.528116      2.391260
  H      -5.920533     -7.187243      3.826739
  H      -4.653508     -6.135518      1.235616
  H      -4.607066     -7.815043      1.833788
  H      -1.474818     -4.261726      0.994675
  H      -3.182345     -4.561280      0.648252
  H      -1.325858     -6.058352      2.576266
  H      -2.127678     -6.717598      1.130374
  C      -2.203881     -2.395541      2.521704
  C      -0.815729     -2.362952      2.729301
  C      -0.116711     -1.165011      2.872402
  C       1.339028     -1.173277      3.137159
  O       2.066474     -0.198669      3.089474
  C       1.957318     -2.513755      3.604859
  O       1.567331     -3.154910      4.535553
  Cl      3.421301     -2.948725      2.677711
  C      -0.798811      0.060076      2.774365
  C      -2.164250      0.049529      2.541501
  C      -2.887663     -1.154832      2.401698
  C      -4.330178     -1.101463      2.089320
  O      -5.129070     -1.983318      1.959205
  F      -4.753057      0.200115      1.896128
  C      -6.910354     -4.541712      4.075149
  C      -7.126996     -4.570694      5.461781
  C      -8.253376     -3.986620      6.041848
  C      -8.450649     -4.033715      7.504368
  O      -9.379669     -3.530001      8.112555
  C      -7.369496     -4.741493      8.343190
  O      -6.322325     -4.270846      8.670117
  Cl     -7.925085     -6.357726      8.887814
  C      -9.212405     -3.351586      5.232848
  C      -9.013350     -3.310629      3.865659
  C      -7.880928     -3.900044      3.262987
  C      -7.792322     -3.708242      1.795928
  O      -8.487410     -3.004574      1.121164
  F      -6.815254     -4.455618      1.187607
  C      -2.578290     -4.812526      6.646239
  C      -1.798253     -3.651927      6.757764
  C      -1.508944     -3.088142      8.003093
  C      -0.685472     -1.861945      8.137161
  O      -0.255261     -1.435197      9.192655
  C      -0.451042     -1.013769      6.861705
  O      -1.307830     -0.692718      6.094218
  Cl      1.230265     -0.423112      6.734375
  C      -1.977252     -3.700985      9.179074
  C      -2.750230     -4.844646      9.089605
  C      -3.072836     -5.409318      7.838592
  C      -4.016405     -6.540981      7.783090
  O      -4.602711     -7.004177      6.844009
  F      -4.231168     -7.089952      9.028464
  H      -0.302600     -3.318547      2.836237
  H      -0.254578      0.995094      2.900774
  H      -2.702914      0.992037      2.466575
  H      -6.362636     -5.052196      6.072606
  H     -10.087949     -2.896361      5.695267
  H      -9.727552     -2.805768      3.215169
  H      -1.424534     -3.206806      5.836331
  H      -1.738937     -3.256457     10.144824
  H      -3.149756     -5.302515      9.992391
  N      -4.330758     -2.953273      4.934794
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.806673566400
  N      -2.830058     -3.652878      2.512817
  C      -2.430107     -4.590289      1.449860
  C      -2.242892     -6.011793      1.978850
  N      -3.355076     -6.397371      2.859948
  C      -4.594288     -6.760101      2.155575
  C      -5.807700     -6.458911      3.025472
  N      -5.702365     -5.110356      3.605177
  Mo     -3.938724     -4.304577      4.039327
  N      -2.845566     -5.308037      5.367285
  C      -2.207759     -6.588594      5.028213
  C      -2.981148     -7.321213      3.939681
  H      -2.143714     -7.239571      5.913583
  H      -1.166330     -6.391536      4.710651
  H      -3.906671     -7.716445      4.378182
  H      -2.389541     -8.176971      3.562520
  H      -6.716927     -6.544364      2.411864
  H      -5.903533     -7.194250      3.845638
  H      -4.651636     -6.144297      1.247462
  H      -4.596890     -7.822890      1.847543
  H      -1.487978     -4.258675      0.985160
  H      -3.196736     -4.567160      0.654644
  H      -1.320405     -6.049724      2.575281
  H      -2.124480     -6.717278      1.134282
  C      -2.208476     -2.393713      2.516506
  C      -0.818435     -2.362001      2.710924
  C      -0.117777     -1.165143      2.850683
  C       1.340444     -1.176242      3.103455
  O       2.065838     -0.199120      3.063654
  C       1.969292     -2.521617      3.533566
  O       1.612295     -3.172334      4.470843
  Cl      3.393496     -2.954524      2.543524
  C      -0.800479      0.060714      2.762983
  C      -2.168415      0.050514      2.542033
  C      -2.893533     -1.153503      2.404348
  C      -4.336914     -1.101967      2.098760
  O      -5.128348     -1.986115      1.941682
  F      -4.771344      0.202222      1.947674
  C      -6.904872     -4.544326      4.080986
  C      -7.130389     -4.581375      5.465902
  C      -8.253379     -3.990036      6.045279
  C      -8.452657     -4.040274      7.506902
  O      -9.381468     -3.536683      8.115988
  C      -7.382349     -4.764209      8.343859
  O      -6.360304     -4.290356      8.736866
  Cl     -7.914757     -6.426546      8.770005
  C      -9.200772     -3.339574      5.234101
  C      -8.992183     -3.289503      3.868515
  C      -7.862188     -3.886485      3.268010
  C      -7.760144     -3.687568      1.803321
  O      -8.415953     -2.944287      1.132354
  F      -6.819691     -4.480913      1.193630
  C      -2.582077     -4.808185      6.655043
  C      -1.805128     -3.646171      6.773744
  C      -1.533210     -3.078455      8.021004
  C      -0.716959     -1.848259      8.160427
  O      -0.321411     -1.402092      9.221992
  C      -0.438875     -1.023594      6.881318
  O      -1.276823     -0.677314      6.103855
  Cl      1.265674     -0.502750      6.761189
  C      -2.015679     -3.688865      9.192501
  C      -2.783158     -4.835677      9.096325
  C      -3.088551     -5.404649      7.842584
  C      -4.029645     -6.538666      7.779222
  O      -4.611933     -6.999426      6.836414
  F      -4.249441     -7.090411      9.022223
  H      -0.304109     -3.317850      2.809730
  H      -0.254946      0.995319      2.887326
  H      -2.707233      0.993529      2.473083
  H      -6.373427     -5.073628      6.078262
  H     -10.074953     -2.878052      5.693117
  H      -9.697069     -2.771251      3.218278
  H      -1.421888     -3.203016      5.854982
  H      -1.792393     -3.239886     10.159892
  H      -3.192576     -5.292461      9.995322
  N      -4.326105     -2.950772      4.936367
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.806821212630
  N      -2.833362     -3.654839      2.512184
  C      -2.435603     -4.593991      1.449923
  C      -2.242878     -6.013391      1.983113
  N      -3.353227     -6.397662      2.867436
  C      -4.592187     -6.764547      2.164321
  C      -5.805495     -6.461674      3.034100
  N      -5.700947     -5.110504      3.606555
  Mo     -3.937123     -4.304011      4.043654
  N      -2.845834     -5.306911      5.373684
  C      -2.205725     -6.586062      5.035965
  C      -2.977286     -7.320806      3.947368
  H      -2.140668     -7.236405      5.921798
  H      -1.164240     -6.388580      4.718729
  H      -3.902342     -7.717787      4.385459
  H      -2.384129     -8.175422      3.570367
  H      -6.715830     -6.550968      2.422933
  H      -5.898462     -7.194549      3.857026
  H      -4.651746     -6.150247      1.255282
  H      -4.592912     -7.827650      1.858011
  H      -1.497306     -4.261196      0.978689
  H      -3.206391     -4.575221      0.658611
  H      -1.319891     -6.045069      2.579397
  H      -2.122725     -6.722742      1.142182
  C      -2.207628     -2.397222      2.515421
  C      -0.816649     -2.368218      2.705122
  C      -0.115666     -1.171860      2.850939
  C       1.342832     -1.182675      3.098705
  O       2.062744     -0.200413      3.085742
  C       1.979744     -2.535145      3.486981
  O       1.649030     -3.201941      4.422872
  Cl      3.374634     -2.952322      2.448901
  C      -0.798548      0.054842      2.774702
  C      -2.165953      0.047358      2.557127
  C      -2.891589     -1.155407      2.413141
  C      -4.335012     -1.102350      2.108989
  O      -5.117451     -1.987087      1.916398
  F      -4.780981      0.203427      2.008556
  C      -6.903576     -4.542158      4.081409
  C      -7.137340     -4.592191      5.463984
  C      -8.257712     -3.996614      6.044051
  C      -8.461901     -4.056578      7.504582
  O      -9.386600     -3.547508      8.115360
  C      -7.402008     -4.797702      8.338109
  O      -6.405557     -4.324683      8.791869
  Cl     -7.912147     -6.492650      8.659317
  C      -9.193854     -3.328938      5.233830
  C      -8.977612     -3.267064      3.869565
  C      -7.849877     -3.868721      3.269114
  C      -7.739171     -3.660562      1.806334
  O      -8.371750     -2.893696      1.140378
  F      -6.828764     -4.485524      1.192153
  C      -2.583360     -4.802648      6.660029
  C      -1.814198     -3.634848      6.775727
  C      -1.550494     -3.059144      8.020800
  C      -0.744793     -1.821474      8.154051
  O      -0.381203     -1.347827      9.215599
  C      -0.438694     -1.022956      6.867453
  O      -1.265575     -0.654330      6.088125
  Cl      1.283400     -0.567090      6.738701
  C      -2.033232     -3.666438      9.193798
  C      -2.789656     -4.820820      9.100843
  C      -3.085682     -5.399134      7.848881
  C      -4.012559     -6.545313      7.789101
  O      -4.590884     -7.014240      6.847960
  F      -4.223504     -7.097387      9.033147
  H      -0.301890     -3.324603      2.796418
  H      -0.251341      0.987778      2.903739
  H      -2.704497      0.990987      2.495048
  H      -6.389105     -5.099148      6.075827
  H     -10.066790     -2.862990      5.690749
  H      -9.675102     -2.735500      3.222144
  H      -1.433779     -3.191799      5.855466
  H      -1.817447     -3.210014     10.159402
  H      -3.196805     -5.277475     10.000916
  N      -4.324035     -2.944578      4.935203
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.807002439540
  N      -2.828392     -3.652189      2.513843
  C      -2.431274     -4.594389      1.453979
  C      -2.237265     -6.011517      1.992073
  N      -3.349199     -6.392204      2.876285
  C      -4.585723     -6.763281      2.171313
  C      -5.800832     -6.459701      3.038247
  N      -5.698218     -5.107368      3.607728
  Mo     -3.934827     -4.297305      4.047576
  N      -2.849792     -5.300453      5.382289
  C      -2.207319     -6.579206      5.048130
  C      -2.974775     -7.315006      3.957224
  H      -2.146045     -7.228862      5.934628
  H      -1.164444     -6.382319      4.735124
  H      -3.900894     -7.711992      4.393188
  H      -2.380694     -8.169346      3.581513
  H      -6.710169     -6.549945      2.425925
  H      -5.895379     -7.192541      3.861337
  H      -4.645684     -6.150106      1.261422
  H      -4.583016     -7.826561      1.866208
  H      -1.494899     -4.261935      0.978968
  H      -3.203728     -4.578619      0.664199
  H      -1.315829     -6.037896      2.591317
  H      -2.113839     -6.725792      1.155962
  C      -2.200256     -2.395693      2.512873
  C      -0.807417     -2.366577      2.688877
  C      -0.104844     -1.171106      2.828197
  C       1.356751     -1.182856      3.059153
  O       2.074688     -0.199015      3.051362
  C       2.002155     -2.539874      3.415585
  O       1.699581     -3.215797      4.354171
  Cl      3.361568     -2.949551      2.328818
  C      -0.787427      0.056915      2.761213
  C      -2.157897      0.049758      2.557935
  C      -2.883964     -1.153403      2.419084
  C      -4.329500     -1.102531      2.124364
  O      -5.100108     -1.989142      1.895132
  F      -4.792059      0.200512      2.083053
  C      -6.902877     -4.541948      4.082871
  C      -7.145279     -4.606558      5.462828
  C      -8.264727     -4.009098      6.042863
  C      -8.476014     -4.075410      7.502837
  O      -9.401214     -3.564271      8.110421
  C      -7.421419     -4.822275      8.339328
  O      -6.445403     -4.348852      8.833680
  Cl     -7.913955     -6.535123      8.599164
  C      -9.191096     -3.326790      5.234223
  C      -8.969277     -3.255260      3.870946
  C      -7.842263     -3.858728      3.271033
  C      -7.728069     -3.647055      1.808598
  O      -8.354588     -2.874922      1.143575
  F      -6.828973     -4.484747      1.194378
  C      -2.594215     -4.795944      6.670428
  C      -1.830011     -3.625242      6.789927
  C      -1.572283     -3.049620      8.036208
  C      -0.773064     -1.808035      8.169686
  O      -0.424257     -1.322347      9.231044
  C      -0.442847     -1.025945      6.881098
  O      -1.260203     -0.622117      6.109465
  Cl      1.297418     -0.651960      6.734027
  C      -2.056612     -3.658627      9.207484
  C      -2.806579     -4.816864      9.111019
  C      -3.095159     -5.396458      7.857708
  C      -4.011430     -6.551174      7.796402
  O      -4.583196     -7.025309      6.853986
  F      -4.218943     -7.105688      9.039751
  H      -0.290812     -3.322643      2.773473
  H      -0.237065      0.988649      2.885283
  H      -2.698120      0.992846      2.501214
  H      -6.405784     -5.127853      6.073536
  H     -10.063116     -2.857044      5.688973
  H      -9.662232     -2.714193      3.226597
  H      -1.449085     -3.179330      5.871300
  H      -1.846300     -3.201218     10.173857
  H      -3.213193     -5.276950     10.009610
  N      -4.322694     -2.933831      4.932450
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.807216892898
  N      -2.817006     -3.650161      2.514740
  C      -2.421648     -4.595630      1.457052
  C      -2.231990     -6.011160      1.999039
  N      -3.347810     -6.385556      2.881445
  C      -4.581911     -6.757506      2.173167
  C      -5.798767     -6.451518      3.035968
  N      -5.695304     -5.099494      3.606173
  Mo     -3.931137     -4.289301      4.048416
  N      -2.856930     -5.294839      5.388522
  C      -2.212310     -6.574131      5.057037
  C      -2.977057     -7.309216      3.963336
  H      -2.155604     -7.223568      5.943640
  H      -1.168366     -6.376839      4.748295
  H      -3.904846     -7.703841      4.397862
  H      -2.384251     -8.164515      3.588258
  H      -6.706049     -6.537330      2.419527
  H      -5.900658     -7.185485      3.857302
  H      -4.639568     -6.145172      1.262451
  H      -4.577646     -7.820996      1.869152
  H      -1.484907     -4.265791      0.981220
  H      -3.194140     -4.579042      0.667308
  H      -1.313003     -6.035776      2.602293
  H      -2.106828     -6.730251      1.167487
  C      -2.184361     -2.396913      2.513410
  C      -0.789999     -2.366913      2.676284
  C      -0.087955     -1.171015      2.815442
  C       1.376505     -1.181262      3.027153
  O       2.090824     -0.195136      3.035117
  C       2.030661     -2.545433      3.345082
  O       1.751655     -3.237912      4.278572
  Cl      3.364459     -2.932025      2.219393
  C      -0.772007      0.057192      2.764627
  C      -2.144612      0.049685      2.575091
  C      -2.868381     -1.153874      2.434169
  C      -4.316869     -1.104390      2.149189
  O      -5.073795     -1.990265      1.874927
  F      -4.797328      0.190931      2.181661
  C      -6.902313     -4.542325      4.085754
  C      -7.151148     -4.623265      5.463221
  C      -8.270317     -4.025473      6.043651
  C      -8.487854     -4.097528      7.503335
  O      -9.415276     -3.588278      8.107888
  C      -7.438288     -4.853107      8.341632
  O      -6.468894     -4.385777      8.853335
  Cl     -7.931153     -6.571631      8.572158
  C      -9.189975     -3.330742      5.239187
  C      -8.966739     -3.251746      3.876098
  C      -7.840827     -3.855815      3.275508
  C      -7.732121     -3.650542      1.810855
  O      -8.365031     -2.886117      1.143173
  F      -6.824626     -4.481887      1.200789
  C      -2.605283     -4.789826      6.677666
  C      -1.845019     -3.616380      6.796869
  C      -1.591566     -3.037351      8.042134
  C      -0.795781     -1.793434      8.170055
  O      -0.463756     -1.289137      9.228145
  C      -0.446130     -1.030034      6.875758
  O      -1.253821     -0.597279      6.109803
  Cl      1.307074     -0.727512      6.713226
  C      -2.077886     -3.643010      9.214155
  C      -2.824547     -4.803490      9.118218
  C      -3.107786     -5.387750      7.865754
  C      -4.022050     -6.543983      7.806472
  O      -4.583849     -7.027045      6.862679
  F      -4.238005     -7.090492      9.051930
  H      -0.270395     -3.322269      2.751618
  H      -0.219786      0.987796      2.888510
  H      -2.688421      0.991358      2.529475
  H      -6.419212     -5.158362      6.071041
  H     -10.060312     -2.858259      5.694212
  H      -9.659154     -2.706179      3.235131
  H      -1.463874     -3.169286      5.878787
  H      -1.871545     -3.181928     10.179631
  H      -3.233339     -5.261752     10.016741
  N      -4.317953     -2.920542      4.925160
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.807425212186
  N      -2.800010     -3.652224      2.515539
  C      -2.408290     -4.602572      1.460738
  C      -2.226828     -6.016796      2.006755
  N      -3.347045     -6.383167      2.887188
  C      -4.579757     -6.756415      2.177695
  C      -5.797149     -6.445618      3.037587
  N      -5.691421     -5.091773      3.604383
  Mo     -3.927232     -4.280845      4.044834
  N      -2.864786     -5.286498      5.391923
  C      -2.217565     -6.567065      5.066012
  C      -2.979952     -7.304514      3.972487
  H      -2.164173     -7.213483      5.954785
  H      -1.173445     -6.367934      4.759848
  H      -3.908725     -7.696465      4.407174
  H      -2.387689     -8.161264      3.600124
  H      -6.702817     -6.528789      2.418116
  H      -5.905617     -7.176798      3.860396
  H      -4.634683     -6.148384      1.263989
  H      -4.575531     -7.821440      1.878985
  H      -1.469371     -4.278136      0.985703
  H      -3.180161     -4.583244      0.670560
  H      -1.309690     -6.043795      2.612593
  H      -2.103073     -6.739422      1.178140
  C      -2.165100     -2.401476      2.510078
  C      -0.769588     -2.368258      2.657638
  C      -0.069000     -1.170843      2.792864
  C       1.398341     -1.179033      2.986384
  O       2.111539     -0.192644      2.996535
  C       2.061369     -2.546434      3.279848
  O       1.806096     -3.245507      4.214607
  Cl      3.366022     -2.922968      2.116977
  C      -0.755698      0.056217      2.755274
  C      -2.131449      0.045593      2.583223
  C      -2.851744     -1.159372      2.444148
  C      -4.304004     -1.114178      2.172797
  O      -5.047543     -1.997425      1.854778
  F      -4.802818      0.167300      2.280311
  C      -6.899331     -4.540144      4.088260
  C      -7.152430     -4.636520      5.463951
  C      -8.270591     -4.037680      6.045723
  C      -8.492610     -4.118755      7.504566
  O      -9.415172     -3.604616      8.111495
  C      -7.449050     -4.889078      8.339773
  O      -6.471650     -4.436733      8.849231
  Cl     -7.966135     -6.601630      8.567785
  C      -9.184362     -3.329497      5.247637
  C      -8.959595     -3.240478      3.885150
  C      -7.836303     -3.845322      3.281946
  C      -7.729391     -3.632219      1.817413
  O      -8.371432     -2.872632      1.152845
  F      -6.816176     -4.452316      1.201786
  C      -2.619486     -4.782591      6.682753
  C      -1.867343     -3.604497      6.805294
  C      -1.620351     -3.025351      8.051746
  C      -0.836428     -1.774609      8.178638
  O      -0.510117     -1.261570      9.234149
  C      -0.476504     -1.019269      6.881972
  O      -1.277606     -0.559856      6.124955
  Cl      1.284882     -0.774340      6.703441
  C      -2.103470     -3.635468      9.222619
  C      -2.841916     -4.801004      9.123411
  C      -3.119786     -5.384859      7.869658
  C      -4.025047     -6.547495      7.806528
  O      -4.573505     -7.038129      6.858718
  F      -4.248657     -7.092270      9.051391
  H      -0.246247     -3.322033      2.725981
  H      -0.203616      0.987211      2.876143
  H      -2.680002      0.985018      2.548768
  H      -6.425889     -5.183448      6.067478
  H     -10.051214     -2.854423      5.706361
  H      -9.649287     -2.687295      3.247916
  H      -1.488217     -3.151516      5.889186
  H      -1.901665     -3.174324     10.188957
  H      -3.249148     -5.263550     10.020353
  N      -4.312469     -2.905867      4.914570
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.807626346968
  N      -2.784157     -3.657146      2.518811
  C      -2.397252     -4.611875      1.466138
  C      -2.223787     -6.025506      2.014917
  N      -3.347710     -6.385506      2.893506
  C      -4.579693     -6.757914      2.182724
  C      -5.797367     -6.441578      3.039521
  N      -5.688672     -5.086097      3.602716
  Mo     -3.924478     -4.275796      4.041638
  N      -2.873914     -5.280861      5.397080
  C      -2.224107     -6.562198      5.075131
  C      -2.984524     -7.303406      3.983033
  H      -2.170264     -7.205739      5.965732
  H      -1.180875     -6.359713      4.768888
  H      -3.913885     -7.693587      4.417715
  H      -2.391607     -8.161399      3.614463
  H      -6.701691     -6.522326      2.417243
  H      -5.911465     -7.169184      3.864440
  H      -4.630363     -6.154038      1.266119
  H      -4.577977     -7.824481      1.889146
  H      -1.456182     -4.293296      0.991472
  H      -3.169155     -4.589481      0.676198
  H      -1.307730     -6.056997      2.621882
  H      -2.102641     -6.749325      1.186903
  C      -2.148500     -2.407410      2.509060
  C      -0.752089     -2.370055      2.642913
  C      -0.055324     -1.169740      2.778991
  C       1.413858     -1.173173      2.958597
  O       2.123193     -0.184340      2.978350
  C       2.089851     -2.541443      3.219339
  O       1.862839     -3.251761      4.152435
  Cl      3.364407     -2.898566      2.016038
  C      -0.747351      0.054306      2.758702
  C      -2.125282      0.039037      2.601466
  C      -2.840205     -1.167593      2.458356
  C      -4.295367     -1.128529      2.198341
  O      -5.024308     -2.005511      1.832316
  F      -4.812871      0.134314      2.381499
  C      -6.897295     -4.537987      4.088864
  C      -7.157257     -4.647658      5.462464
  C      -8.274707     -4.046479      6.043854
  C      -8.502356     -4.138917      7.500746
  O      -9.423389     -3.626317      8.111261
  C      -7.466339     -4.924991      8.330740
  O      -6.484900     -4.485860      8.844076
  Cl     -7.997616     -6.636127      8.538133
  C      -9.180982     -3.325001      5.249540
  C      -8.950475     -3.225868      3.888667
  C      -7.829114     -3.832871      3.285360
  C      -7.718571     -3.614856      1.821659
  O      -8.352877     -2.846132      1.159804
  F      -6.810073     -4.436892      1.202838
  C      -2.631065     -4.775288      6.687463
  C      -1.882950     -3.594657      6.809307
  C      -1.635009     -3.015404      8.055507
  C      -0.856085     -1.761996      8.178229
  O      -0.534035     -1.240005      9.230646
  C      -0.500500     -1.008120      6.879084
  O      -1.301291     -0.516071      6.142902
  Cl      1.264948     -0.816253      6.668706
  C      -2.111920     -3.628001      9.227545
  C      -2.847639     -4.795288      9.129169
  C      -3.128589     -5.378213      7.875709
  C      -4.034565     -6.540090      7.813381
  O      -4.582507     -7.031664      6.865480
  F      -4.260373     -7.083149      9.058441
  H      -0.224060     -3.321834      2.703189
  H      -0.198287      0.986852      2.881274
  H      -2.678926      0.975995      2.581030
  H      -6.435942     -5.204083      6.063638
  H     -10.045241     -2.848072      5.711150
  H      -9.634527     -2.664862      3.252188
  H      -1.506963     -3.139276      5.893093
  H      -1.908452     -3.167335     10.193741
  H      -3.251928     -5.259461     10.026566
  N      -4.307401     -2.894686      4.902301
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.807839738609
  N      -2.764530     -3.665310      2.523854
  C      -2.382971     -4.623989      1.472911
  C      -2.219712     -6.037922      2.023381
  N      -3.347965     -6.391423      2.899191
  C      -4.579904     -6.759850      2.186254
  C      -5.797959     -6.436449      3.039547
  N      -5.685459     -5.078868      3.598521
  Mo     -3.920746     -4.273637      4.037290
  N      -2.882391     -5.277932      5.402915
  C      -2.232419     -6.560775      5.084379
  C      -2.991616     -7.305392      3.994229
  H      -2.177046     -7.201737      5.976589
  H      -1.190114     -6.356365      4.776755
  H      -3.922730     -7.692565      4.427616
  H      -2.398429     -8.165832      3.631498
  H      -6.700971     -6.515271      2.414977
  H      -5.916566     -7.159820      3.867258
  H      -4.624472     -6.159802      1.266920
  H      -4.583454     -7.827858      1.897451
  H      -1.438709     -4.313104      0.999395
  H      -3.154260     -4.597210      0.682598
  H      -1.304713     -6.077109      2.631086
  H      -2.102467     -6.760873      1.193903
  C      -2.130130     -2.415197      2.508539
  C      -0.733018     -2.373874      2.628522
  C      -0.040657     -1.169996      2.764418
  C       1.429854     -1.167774      2.928573
  O       2.134353     -0.175545      2.960125
  C       2.118918     -2.533885      3.159714
  O       1.921390     -3.252490      4.092954
  Cl      3.366964     -2.871967      1.921004
  C      -0.738986      0.049929      2.761574
  C      -2.118564      0.029562      2.618927
  C      -2.827997     -1.178820      2.471963
  C      -4.285106     -1.146482      2.222760
  O      -5.001637     -2.013049      1.810048
  F      -4.818341      0.095561      2.476108
  C      -6.893614     -4.532143      4.087934
  C      -7.158544     -4.655715      5.459940
  C      -8.275635     -4.055417      6.043869
  C      -8.507748     -4.165013      7.498145
  O      -9.428982     -3.659059      8.114803
  C      -7.474519     -4.959804      8.320601
  O      -6.488379     -4.525653      8.830100
  Cl     -8.014244     -6.667404      8.525917
  C      -9.176510     -3.321199      5.254370
  C      -8.939958     -3.207795      3.895934
  C      -7.819558     -3.813320      3.290128
  C      -7.702956     -3.582866      1.829219
  O      -8.326965     -2.799204      1.174506
  F      -6.807785     -4.411940      1.201835
  C      -2.642819     -4.770091      6.691952
  C      -1.902129     -3.584833      6.812799
  C      -1.655018     -3.004527      8.058348
  C      -0.885050     -1.746028      8.176339
  O      -0.559323     -1.220237      9.225794
  C      -0.541763     -0.989706      6.874947
  O      -1.344782     -0.472487      6.159051
  Cl      1.224497     -0.841824      6.627302
  C      -2.124210     -3.621003      9.231545
  C      -2.855051     -4.791529      9.134398
  C      -3.137644     -5.374448      7.881253
  C      -4.045125     -6.535062      7.818740
  O      -4.595977     -7.024588      6.871074
  F      -4.270546     -7.078850      9.063252
  H      -0.200335     -3.323590      2.680161
  H      -0.194331      0.984969      2.885127
  H      -2.676359      0.964468      2.612153
  H      -6.439594     -5.219216      6.057377
  H     -10.038973     -2.846386      5.721544
  H      -9.617616     -2.637435      3.260802
  H      -1.529403     -3.127275      5.896039
  H      -1.919992     -3.160441     10.197649
  H      -3.255629     -5.257982     10.032317
  N      -4.300768     -2.887071      4.888554
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.808040808101
  N      -2.745077     -3.673859      2.533652
  C      -2.367223     -4.635202      1.483877
  C      -2.215281     -6.050303      2.034838
  N      -3.349023     -6.397422      2.906053
  C      -4.580535     -6.758902      2.188622
  C      -5.800192     -6.427585      3.036501
  N      -5.683815     -5.068339      3.592230
  Mo     -3.918447     -4.273259      4.035694
  N      -2.892988     -5.277414      5.412660
  C      -2.246248     -6.562803      5.097035
  C      -3.003799     -7.308535      4.007039
  H      -2.190979     -7.202314      5.990289
  H      -1.203750     -6.359935      4.789016
  H      -3.938900     -7.690627      4.436241
  H      -2.411580     -8.172903      3.651884
  H      -6.701420     -6.503744      2.409028
  H      -5.923612     -7.147913      3.866044
  H      -4.617037     -6.160827      1.267652
  H      -4.590917     -7.827588      1.902264
  H      -1.419246     -4.332207      1.012628
  H      -3.136451     -4.603451      0.691774
  H      -1.302208     -6.097992      2.644566
  H      -2.100859     -6.771486      1.203323
  C      -2.112405     -2.422326      2.512862
  C      -0.714808     -2.377967      2.621827
  C      -0.026385     -1.170778      2.755676
  C       1.444774     -1.162351      2.906620
  O       2.145252     -0.166576      2.938020
  C       2.147554     -2.524051      3.104567
  O       1.984594     -3.250943      4.038028
  Cl      3.353056     -2.849880      1.818677
  C      -0.730246      0.045467      2.764450
  C      -2.111028      0.020833      2.634456
  C      -2.815891     -1.189543      2.486652
  C      -4.273734     -1.163314      2.245172
  O      -4.980080     -2.015961      1.787837
  F      -4.820151      0.057483      2.562588
  C      -6.891360     -4.521729      4.083759
  C      -7.162209     -4.659172      5.453056
  C      -8.279917     -4.062083      6.039632
  C      -8.518117     -4.191981      7.490471
  O      -9.443424     -3.696862      8.111246
  C      -7.488675     -4.993990      8.306259
  O      -6.499722     -4.560920      8.812800
  Cl     -8.031597     -6.697833      8.512687
  C      -9.174666     -3.315065      5.253894
  C      -8.930410     -3.185967      3.898632
  C      -7.809998     -3.789648      3.290817
  C      -7.686106     -3.550222      1.832593
  O      -8.289911     -2.744646      1.185109
  F      -6.812631     -4.396506      1.198840
  C      -2.653794     -4.766483      6.699470
  C      -1.922010     -3.575429      6.816757
  C      -1.671011     -2.994296      8.060726
  C      -0.909835     -1.730462      8.170700
  O      -0.575984     -1.201711      9.216318
  C      -0.593708     -0.968669      6.866385
  O      -1.405608     -0.425669      6.180732
  Cl      1.168312     -0.858020      6.564778
  C      -2.127023     -3.615542      9.236657
  C      -2.849860     -4.791373      9.143533
  C      -3.137052     -5.375348      7.891734
  C      -4.038573     -6.540687      7.833710
  O      -4.598859     -7.027959      6.890226
  F      -4.248309     -7.090140      9.078036
  H      -0.178261     -3.325799      2.666370
  H      -0.189596      0.983061      2.886672
  H      -2.671390      0.954384      2.637079
  H      -6.445475     -5.228806      6.047561
  H     -10.037196     -2.844706      5.725567
  H      -9.601074     -2.606129      3.264525
  H      -1.556577     -3.115893      5.897702
  H      -1.918575     -3.155133     10.201970
  H      -3.240223     -5.262261     10.043689
  N      -4.296389     -2.880616      4.878528
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.808225584438
  N      -2.726611     -3.681177      2.539596
  C      -2.351678     -4.644696      1.490939
  C      -2.207639     -6.060305      2.043306
  N      -3.345188     -6.401865      2.911636
  C      -4.576598     -6.758369      2.191125
  C      -5.797903     -6.420256      3.034303
  N      -5.679936     -5.058742      3.585404
  Mo     -3.913220     -4.274447      4.034741
  N      -2.896995     -5.278223      5.421972
  C      -2.253146     -6.565234      5.108475
  C      -3.008913     -7.310936      4.017307
  H      -2.199003     -7.204596      6.001816
  H      -1.209625     -6.365511      4.801237
  H      -3.947994     -7.688292      4.442087
  H      -2.418212     -8.178941      3.668537
  H      -6.697964     -6.496028      2.405465
  H      -5.923604     -7.138119      3.865772
  H      -4.607816     -6.161421      1.269090
  H      -4.591678     -7.827291      1.906041
  H      -1.401521     -4.347790      1.020185
  H      -3.119429     -4.610069      0.697453
  H      -1.296302     -6.112456      2.655300
  H      -2.094547     -6.781727      1.211820
  C      -2.095611     -2.428441      2.513787
  C      -0.697189     -2.380896      2.609300
  C      -0.012487     -1.170925      2.740049
  C       1.459573     -1.157123      2.870955
  O       2.154821     -0.157649      2.920187
  C       2.171575     -2.516381      3.033942
  O       2.044485     -3.250894      3.967218
  Cl      3.338138     -2.825905      1.707154
  C      -0.721376      0.042255      2.764041
  C      -2.103118      0.013811      2.648214
  C      -2.803668     -1.198710      2.499311
  C      -4.262222     -1.178157      2.264707
  O      -4.958490     -2.015039      1.764900
  F      -4.822011      0.018352      2.646465
  C      -6.886625     -4.512764      4.081235
  C      -7.160570     -4.665929      5.448223
  C      -8.278025     -4.073865      6.040303
  C      -8.520074     -4.223327      7.488460
  O      -9.449415     -3.738289      8.111994
  C      -7.490390     -5.027147      8.299518
  O      -6.505196     -4.588320      8.809497
  Cl     -8.020700     -6.733493      8.498259
  C      -9.168146     -3.313554      5.261226
  C      -8.919789     -3.166939      3.908861
  C      -7.800003     -3.767280      3.295692
  C      -7.672258     -3.513830      1.840294
  O      -8.260074     -2.688258      1.203494
  F      -6.826748     -4.379702      1.195490
  C      -2.665291     -4.764093      6.708125
  C      -1.941790     -3.567665      6.825411
  C      -1.697909     -2.982121      8.068163
  C      -0.945184     -1.712977      8.172319
  O      -0.612091     -1.177344      9.214892
  C      -0.629309     -0.960019      6.863962
  O      -1.433802     -0.390441      6.191660
  Cl      1.131159     -0.911750      6.529588
  C      -2.153556     -3.602962      9.244454
  C      -2.869494     -4.783179      9.151896
  C      -3.149747     -5.372153      7.900516
  C      -4.051313     -6.537534      7.842857
  O      -4.614765     -7.022657      6.900144
  F      -4.256552     -7.089571      9.086635
  H      -0.156550     -3.326922      2.644418
  H      -0.183531      0.981763      2.884303
  H      -2.665994      0.945850      2.660813
  H      -6.445786     -5.243290      6.038007
  H     -10.030495     -2.847883      5.738075
  H      -9.585615     -2.576067      3.279730
  H      -1.575444     -3.108570      5.906208
  H      -1.950945     -3.138780     10.209275
  H      -3.260787     -5.253657     10.051936
  N      -4.289994     -2.877915      4.869788
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.808387920922
  N      -2.709244     -3.686436      2.547237
  C      -2.335235     -4.651656      1.499867
  C      -2.199335     -6.067531      2.053967
  N      -3.341982     -6.402744      2.917848
  C      -4.572058     -6.754263      2.192660
  C      -5.795965     -6.410477      3.029915
  N      -5.676959     -5.048001      3.578807
  Mo     -3.908740     -4.274020      4.035843
  N      -2.902347     -5.278190      5.432530
  C      -2.262967     -6.567538      5.122228
  C      -3.016272     -7.311026      4.027720
  H      -2.214181     -7.207319      6.015630
  H      -1.217048     -6.373644      4.818701
  H      -3.960329     -7.682206      4.447092
  H      -2.428504     -8.183330      3.685004
  H      -6.694043     -6.484384      2.398130
  H      -5.926218     -7.127730      3.861412
  H      -4.597676     -6.156734      1.270615
  H      -4.590421     -7.822806      1.906751
  H      -1.382764     -4.359604      1.030901
  H      -3.100155     -4.614319      0.703693
  H      -1.291013     -6.122071      2.670435
  H      -2.085409     -6.790889      1.224415
  C      -2.079282     -2.432711      2.516644
  C      -0.680141     -2.380743      2.598888
  C       0.001010     -1.168365      2.724571
  C       1.474408     -1.148758      2.836646
  O       2.165270     -0.146043      2.890400
  C       2.196298     -2.505245      2.964069
  O       2.108805     -3.246811      3.896274
  Cl      3.309122     -2.803464      1.589112
  C      -0.712051      0.042572      2.760145
  C      -2.095194      0.009614      2.658922
  C      -2.791019     -1.205707      2.512014
  C      -4.250789     -1.190927      2.284937
  O      -4.937263     -2.010445      1.744583
  F      -4.822963     -0.021517      2.728958
  C      -6.883357     -4.503996      4.078279
  C      -7.160968     -4.671855      5.442142
  C      -8.278827     -4.084456      6.037993
  C      -8.526956     -4.249741      7.483747
  O      -9.461551     -3.772379      8.105399
  C      -7.498803     -5.056767      8.294009
  O      -6.513307     -4.616334      8.802752
  Cl     -8.026720     -6.761129      8.497058
  C      -9.164124     -3.312769      5.264627
  C      -8.912528     -3.151888      3.914501
  C      -7.792914     -3.749729      3.297821
  C      -7.662993     -3.488674      1.843677
  O      -8.236528     -2.649036      1.212940
  F      -6.835989     -4.369504      1.194543
  C      -2.677480     -4.761532      6.718720
  C      -1.960575     -3.560930      6.836164
  C      -1.721949     -2.971944      8.078007
  C      -0.974021     -1.699488      8.176390
  O      -0.642445     -1.156416      9.215663
  C      -0.656011     -0.957578      6.863552
  O      -1.449178     -0.354449      6.207860
  Cl      1.098987     -0.985420      6.492091
  C      -2.177696     -3.591725      9.254685
  C      -2.886436     -4.776360      9.162387
  C      -3.159574     -5.370199      7.911443
  C      -4.053480     -6.541428      7.855319
  O      -4.617632     -7.027475      6.913681
  F      -4.249312     -7.098021      9.098604
  H      -0.135091     -3.324554      2.626365
  H      -0.175946      0.983549      2.876654
  H      -2.661695      0.939427      2.679488
  H      -6.449262     -5.256824      6.028366
  H     -10.027134     -2.850480      5.743667
  H      -9.575559     -2.552457      3.290541
  H      -1.594286     -3.102021      5.916857
  H      -1.980039     -3.124259     10.218994
  H      -3.276871     -5.247536     10.062447
  N      -4.284993     -2.872981      4.864565
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.808527117762
  N      -2.695328     -3.689384      2.556321
  C      -2.319138     -4.655299      1.510389
  C      -2.188640     -6.070808      2.066286
  N      -3.335834     -6.401690      2.925205
  C      -4.564148     -6.749349      2.195235
  C      -5.791394     -6.401545      3.025963
  N      -5.673707     -5.038005      3.572574
  Mo     -3.904550     -4.274637      4.039933
  N      -2.904369     -5.278183      5.444110
  C      -2.268156     -6.568848      5.136631
  C      -3.018758     -7.309700      4.038109
  H      -2.225466     -7.209719      6.029599
  H      -1.219634     -6.380560      4.837804
  H      -3.967141     -7.675372      4.452783
  H      -2.433984     -8.185681      3.699980
  H      -6.686965     -6.474968      2.390570
  H      -5.926340     -7.118200      3.857405
  H      -4.584798     -6.150418      1.273746
  H      -4.584072     -7.817230      1.907406
  H      -1.364555     -4.365413      1.044578
  H      -3.080009     -4.616683      0.710313
  H      -1.283849     -6.124496      2.688277
  H      -2.071372     -6.797018      1.239896
  C      -2.067467     -2.434632      2.520551
  C      -0.667772     -2.377334      2.589265
  C       0.010533     -1.163183      2.706105
  C       1.485430     -1.139653      2.798318
  O       2.173680     -0.135324      2.857106
  C       2.213863     -2.494941      2.891238
  O       2.172671     -3.238030      3.825310
  Cl      3.258833     -2.789917      1.463828
  C      -0.705211      0.046313      2.750375
  C      -2.089758      0.008478      2.663247
  C      -2.781248     -1.209778      2.521264
  C      -4.242531     -1.197407      2.300163
  O      -4.924513     -1.998027      1.726921
  F      -4.819851     -0.049300      2.791886
  C      -6.880229     -4.496982      4.075161
  C      -7.160220     -4.676562      5.436450
  C      -8.279488     -4.094273      6.034663
  C      -8.534862     -4.272648      7.478217
  O      -9.475071     -3.801819      8.095805
  C      -7.508103     -5.082671      8.289536
  O      -6.520919     -4.640665      8.794331
  Cl     -8.033996     -6.784306      8.499731
  C      -9.162214     -3.315557      5.266252
  C      -8.908568     -3.142929      3.917779
  C      -7.788347     -3.737573      3.298717
  C      -7.656513     -3.468074      1.845625
  O      -8.216409     -2.616156      1.220301
  F      -6.845278     -4.361757      1.192500
  C      -2.688901     -4.760048      6.731388
  C      -1.976273     -3.556875      6.850666
  C      -1.743958     -2.965249      8.092245
  C      -0.997278     -1.691458      8.187162
  O      -0.670589     -1.140914      9.223921
  C      -0.665763     -0.964651      6.869865
  O      -1.436377     -0.318593      6.229038
  Cl      1.079377     -1.090890      6.465430
  C      -2.204017     -3.582872      9.268240
  C      -2.907919     -4.770345      9.174300
  C      -3.172368     -5.368142      7.923184
  C      -4.060556     -6.543633      7.866936
  O      -4.626810     -7.027528      6.925649
  F      -4.246467     -7.107701      9.108609
  H      -0.118418     -3.318977      2.612004
  H      -0.169744      0.988363      2.860784
  H      -2.660489      0.935718      2.689039
  H      -6.450583     -5.266215      6.020598
  H     -10.027078     -2.856708      5.745266
  H      -9.571259     -2.537542      3.299307
  H      -1.608305     -3.098316      5.931991
  H      -2.012992     -3.112355     10.232409
  H      -3.301149     -5.241053     10.073382
  N      -4.282219     -2.870929      4.864392
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.808633159096
  N      -2.684604     -3.692718      2.562801
  C      -2.307854     -4.660302      1.518405
  C      -2.180444     -6.074555      2.077551
  N      -3.331162     -6.401379      2.933449
  C      -4.557573     -6.748083      2.199941
  C      -5.787055     -6.397511      3.025947
  N      -5.669728     -5.032969      3.569777
  Mo     -3.899925     -4.273826      4.043366
  N      -2.905951     -5.276787      5.452590
  C      -2.270651     -6.568541      5.149016
  C      -3.019088     -7.308843      4.048441
  H      -2.233074     -7.209062      6.042474
  H      -1.220576     -6.382859      4.854147
  H      -3.969424     -7.671629      4.461254
  H      -2.435685     -8.186580      3.712636
  H      -6.680408     -6.470861      2.387176
  H      -5.926896     -7.112406      3.858085
  H      -4.574471     -6.149429      1.278141
  H      -4.577675     -7.815987      1.912321
  H      -1.352341     -4.371829      1.053918
  H      -3.067025     -4.621377      0.716752
  H      -1.278179     -6.126318      2.703414
  H      -2.060656     -6.804087      1.254574
  C      -2.057135     -2.437822      2.524422
  C      -0.657293     -2.374280      2.580603
  C       0.016809     -1.157544      2.694135
  C       1.493021     -1.129367      2.767690
  O       2.178807     -0.124107      2.834388
  C       2.229085     -2.482966      2.820542
  O       2.239559     -3.228743      3.753029
  Cl      3.195032     -2.770816      1.337029
  C      -0.702467      0.049437      2.751472
  C      -2.087978      0.005604      2.677791
  C      -2.774124     -1.215101      2.535314
  C      -4.237177     -1.207935      2.318223
  O      -4.909107     -1.989734      1.708498
  F      -4.825001     -0.087731      2.857336
  C      -6.876334     -4.493335      4.073794
  C      -7.160675     -4.681927      5.432955
  C      -8.280192     -4.099124      6.030951
  C      -8.543443     -4.285339      7.472487
  O      -9.485570     -3.815790      8.087387
  C      -7.521757     -5.104228      8.283727
  O      -6.534409     -4.669383      8.794246
  Cl     -8.054158     -6.805296      8.480742
  C      -9.157743     -3.312629      5.265446
  C      -8.900285     -3.132502      3.918229
  C      -7.780903     -3.727813      3.299324
  C      -7.645735     -3.452978      1.847146
  O      -8.193905     -2.592237      1.224368
  F      -6.844986     -4.355425      1.191429
  C      -2.696831     -4.757509      6.740500
  C      -1.987173     -3.552731      6.861096
  C      -1.761118     -2.958649      8.102552
  C      -1.019380     -1.681953      8.194898
  O      -0.705742     -1.119392      9.229103
  C      -0.668047     -0.970843      6.874386
  O      -1.408687     -0.278779      6.246973
  Cl      1.060505     -1.203479      6.441121
  C      -2.224747     -3.574621      9.277956
  C      -2.924976     -4.764229      9.182629
  C      -3.182724     -5.364593      7.931381
  C      -4.066748     -6.543124      7.873670
  O      -4.632449     -7.025948      6.931476
  F      -4.248649     -7.111808      9.113826
  H      -0.102584     -3.313112      2.596330
  H      -0.168587      0.992579      2.859784
  H      -2.664107      0.929268      2.712108
  H      -6.455451     -5.277859      6.016068
  H     -10.022790     -2.852599      5.742866
  H      -9.561017     -2.521551      3.303223
  H      -1.617924     -3.093962      5.942941
  H      -2.039636     -3.101486     10.241971
  H      -3.321062     -5.234479     10.080710
  N      -4.277469     -2.866918      4.863117
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.808726022929
  N      -2.679383     -3.690137      2.575174
  C      -2.294791     -4.656078      1.531778
  C      -2.167647     -6.069208      2.091974
  N      -3.322543     -6.396540      2.941291
  C      -4.545242     -6.741721      2.200738
  C      -5.779679     -6.393819      3.020236
  N      -5.667295     -5.030019      3.566342
  Mo     -3.898086     -4.274365      4.051404
  N      -2.903935     -5.276428      5.461297
  C      -2.270153     -6.568875      5.160971
  C      -3.015741     -7.306011      4.056056
  H      -2.240768     -7.210989      6.053746
  H      -1.217498     -6.387116      4.872963
  H      -3.968170     -7.666746      4.466027
  H      -2.433709     -8.184792      3.720642
  H      -6.668785     -6.468092      2.375444
  H      -5.925044     -7.109703      3.850525
  H      -4.557549     -6.139751      1.280974
  H      -4.563010     -7.808529      1.908948
  H      -1.337207     -4.365082      1.073438
  H      -3.048606     -4.617334      0.725112
  H      -1.269487     -6.116788      2.724083
  H      -2.040773     -6.800788      1.272011
  C      -2.054879     -2.434711      2.533689
  C      -0.654856     -2.366883      2.579361
  C       0.018400     -1.149639      2.684414
  C       1.495800     -1.123627      2.739958
  O       2.185121     -0.121105      2.804600
  C       2.229837     -2.479747      2.764285
  O       2.304920     -3.211320      3.704764
  Cl      3.081016     -2.793915      1.217343
  C      -0.700143      0.056861      2.748524
  C      -2.086214      0.009485      2.685596
  C      -2.771127     -1.212168      2.546868
  C      -4.235409     -1.197927      2.329015
  O      -4.914038     -1.962264      1.704697
  F      -4.815265     -0.081832      2.883602
  C      -6.874768     -4.493047      4.070112
  C      -7.158990     -4.681746      5.429186
  C      -8.282815     -4.104207      6.025085
  C      -8.555128     -4.294191      7.465209
  O      -9.506099     -3.833353      8.071959
  C      -7.529963     -5.106140      8.282767
  O      -6.534937     -4.668618      8.775980
  Cl     -8.068729     -6.800104      8.512443
  C      -9.163637     -3.323676      5.258218
  C      -8.905205     -3.142188      3.910700
  C      -7.782337     -3.732122      3.294440
  C      -7.645283     -3.454401      1.842816
  O      -8.193115     -2.595810      1.217869
  F      -6.837249     -4.354281      1.189267
  C      -2.701117     -4.757085      6.750376
  C      -1.989616     -3.553770      6.873537
  C      -1.767631     -2.959469      8.115542
  C      -1.025767     -1.682618      8.207738
  O      -0.720518     -1.113574      9.240492
  C      -0.653589     -0.986093      6.884127
  O      -1.352448     -0.236444      6.276239
  Cl      1.044104     -1.348882      6.411030
  C      -2.239033     -3.572667      9.289309
  C      -2.940877     -4.761304      9.191066
  C      -3.192837     -5.362206      7.939082
  C      -4.076525     -6.540861      7.877633
  O      -4.645829     -7.016967      6.934170
  F      -4.252670     -7.118374      9.114558
  H      -0.096634     -3.304075      2.593202
  H      -0.165212      0.999959      2.851487
  H      -2.665914      0.930900      2.723281
  H      -6.452390     -5.273649      6.014388
  H     -10.033355     -2.867181      5.730292
  H      -9.570474     -2.534625      3.297321
  H      -1.616239     -3.096235      5.956481
  H      -2.058837     -3.098541     10.253731
  H      -3.342750     -5.230049     10.087411
  N      -4.279548     -2.869430      4.873128
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.808789293590
  N      -2.677352     -3.690807      2.577205
  C      -2.293171     -4.659132      1.535287
  C      -2.164751     -6.070948      2.098330
  N      -3.320290     -6.397761      2.947773
  C      -4.541765     -6.745498      2.206092
  C      -5.776927     -6.397427      3.024219
  N      -5.664620     -5.032750      3.568198
  Mo     -3.896025     -4.273416      4.053555
  N      -2.905104     -5.274868      5.463812
  C      -2.268558     -6.567403      5.166586
  C      -3.012633     -7.306976      4.062359
  H      -2.239899     -7.207834      6.060496
  H      -1.216192     -6.382959      4.880018
  H      -3.963900     -7.669701      4.473065
  H      -2.428668     -8.184253      3.726285
  H      -6.664908     -6.472564      2.377811
  H      -5.924189     -7.111312      3.855763
  H      -4.553162     -6.145932      1.284906
  H      -4.558453     -7.813159      1.917149
  H      -1.336266     -4.368568      1.075434
  H      -3.048487     -4.621818      0.730106
  H      -1.266692     -6.117128      2.730524
  H      -2.037169     -6.803571      1.279325
  C      -2.052259     -2.435246      2.535672
  C      -0.652331     -2.364308      2.574622
  C       0.018076     -1.145130      2.681876
  C       1.495582     -1.117494      2.729367
  O       2.185062     -0.115863      2.805280
  C       2.233143     -2.471607      2.726473
  O       2.351713     -3.200164      3.664295
  Cl      3.017246     -2.786115      1.142706
  C      -0.702856      0.059038      2.757765
  C      -2.089271      0.008318      2.702005
  C      -2.771284     -1.214002      2.558406
  C      -4.235934     -1.204765      2.341744
  O      -4.904577     -1.958232      1.693982
  F      -4.826222     -0.109895      2.924226
  C      -6.872595     -4.494492      4.069852
  C      -7.161507     -4.683850      5.428182
  C      -8.285076     -4.102291      6.021106
  C      -8.561830     -4.293029      7.460029
  O      -9.510999     -3.829475      8.067647
  C      -7.542999     -5.113186      8.276098
  O      -6.550850     -4.684717      8.782175
  Cl     -8.090265     -6.809680      8.480404
  C      -9.160645     -3.317260      5.252752
  C      -8.897274     -3.135655      3.906003
  C      -7.775527     -3.729230      3.292429
  C      -7.634227     -3.451351      1.841560
  O      -8.179818     -2.591601      1.215789
  F      -6.826412     -4.350913      1.187399
  C      -2.702960     -4.754801      6.752735
  C      -1.991307     -3.551959      6.875772
  C      -1.769441     -2.957685      8.117788
  C      -1.034279     -1.677482      8.209063
  O      -0.746613     -1.096486      9.240326
  C      -0.644158     -0.990159      6.885823
  O      -1.314079     -0.208660      6.285901
  Cl      1.035415     -1.420603      6.401537
  C      -2.241002     -3.570820      9.291510
  C      -2.943151     -4.759346      9.193501
  C      -3.196086     -5.359629      7.941531
  C      -4.082036     -6.536635      7.879243
  O      -4.651662     -7.012032      6.935427
  F      -4.261035     -7.112678      9.115976
  H      -0.090724     -3.299672      2.582643
  H      -0.169718      1.002908      2.863131
  H      -2.671759      0.927641      2.747859
  H      -6.459061     -5.279984      6.014189
  H     -10.029415     -2.857197      5.723035
  H      -9.558682     -2.525307      3.291180
  H      -1.617856     -3.094544      5.958596
  H      -2.060996     -3.096607     10.255930
  H      -3.345293     -5.228110     10.089752
  N      -4.276894     -2.867005      4.872975
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.808864536330
  N      -2.684399     -3.686522      2.577070
  C      -2.298243     -4.654980      1.535392
  C      -2.166084     -6.066645      2.098192
  N      -3.320813     -6.397326      2.947787
  C      -4.541006     -6.747512      2.204614
  C      -5.777114     -6.403755      3.023235
  N      -5.666090     -5.040600      3.571226
  Mo     -3.898725     -4.273850      4.054759
  N      -2.905760     -5.276250      5.459992
  C      -2.267056     -6.568761      5.163552
  C      -3.010307     -7.308856      4.059373
  H      -2.238865     -7.208580      6.057880
  H      -1.215066     -6.381367      4.878314
  H      -3.959693     -7.675628      4.470658
  H      -2.423731     -8.183170      3.720003
  H      -6.664106     -6.478671      2.375435
  H      -5.924371     -7.119184      3.853323
  H      -4.553009     -6.148212      1.283461
  H      -4.555239     -7.815401      1.916104
  H      -1.342020     -4.362915      1.075117
  H      -3.054743     -4.619099      0.731405
  H      -1.267285     -6.112515      2.729163
  H      -2.037678     -6.797321      1.277430
  C      -2.058206     -2.431038      2.537984
  C      -0.657932     -2.362803      2.578971
  C       0.014490     -1.144454      2.690472
  C       1.491547     -1.121025      2.743429
  O       2.184593     -0.121855      2.821002
  C       2.226765     -2.476037      2.744851
  O       2.371417     -3.188427      3.690809
  Cl      2.968656     -2.817381      1.143792
  C      -0.704666      0.060025      2.768554
  C      -2.090760      0.011955      2.710958
  C      -2.775979     -1.208216      2.563563
  C      -4.239709     -1.193658      2.345217
  O      -4.912047     -1.948516      1.703018
  F      -4.825420     -0.090912      2.916732
  C      -6.874662     -4.500044      4.068890
  C      -7.162576     -4.678548      5.429232
  C      -8.287536     -4.096052      6.018408
  C      -8.563226     -4.279319      7.458162
  O      -9.513944     -3.817403      8.065134
  C      -7.541417     -5.090528      8.277178
  O      -6.546144     -4.660824      8.775441
  Cl     -8.094785     -6.784941      8.498275
  C      -9.165827     -3.319191      5.244035
  C      -8.902251     -3.146939      3.896180
  C      -7.779004     -3.740946      3.286166
  C      -7.638036     -3.470314      1.834625
  O      -8.201093     -2.626042      1.202098
  F      -6.806787     -4.351733      1.186365
  C      -2.697623     -4.756597      6.748289
  C      -1.983778     -3.555481      6.869842
  C      -1.756062     -2.963473      8.112184
  C      -1.029136     -1.678929      8.205381
  O      -0.750661     -1.095778      9.237991
  C      -0.636382     -0.986420      6.884909
  O      -1.298281     -0.195180      6.289377
  Cl      1.041075     -1.426840      6.398289
  C      -2.223626     -3.578852      9.286319
  C      -2.929137     -4.765518      9.189707
  C      -3.189371     -5.362408      7.937837
  C      -4.080969     -6.535262      7.875347
  O      -4.651796     -7.009763      6.931662
  F      -4.265369     -7.107296      9.112686
  H      -0.097393     -3.298896      2.585779
  H      -0.170930      1.003199      2.877518
  H      -2.671062      0.932526      2.758975
  H      -6.458340     -5.269725      6.018028
  H     -10.035461     -2.858626      5.712223
  H      -9.564532     -2.542854      3.276060
  H      -1.613390     -3.097973      5.951654
  H      -2.039042     -3.106833     10.250977
  H      -3.328625     -5.235016     10.086773
  N      -4.280070     -2.870544      4.878730
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.808919569490
  N      -2.689240     -3.680822      2.577935
  C      -2.300407     -4.649100      1.536562
  C      -2.162795     -6.060531      2.099367
  N      -3.315950     -6.396338      2.949345
  C      -4.535012     -6.749847      2.205175
  C      -5.772869     -6.409832      3.023182
  N      -5.664923     -5.047503      3.573559
  Mo     -3.899440     -4.274894      4.056983
  N      -2.903415     -5.276541      5.459475
  C      -2.262163     -6.568478      5.164172
  C      -3.002492     -7.309475      4.058628
  H      -2.234638     -7.207756      6.058882
  H      -1.209990     -6.379068      4.881064
  H      -3.950776     -7.680743      4.468445
  H      -2.412477     -8.180751      3.717502
  H      -6.659069     -6.485731      2.374562
  H      -5.918495     -7.126865      3.852202
  H      -4.548344     -6.150961      1.283843
  H      -4.546082     -7.817902      1.917240
  H      -1.345508     -4.354924      1.074915
  H      -3.058125     -4.616183      0.733693
  H      -1.263224     -6.104464      2.729400
  H      -2.032592     -6.789497      1.277306
  C      -2.064047     -2.424754      2.540905
  C      -0.663866     -2.358184      2.580210
  C       0.009839     -1.141045      2.694343
  C       1.485875     -1.124039      2.748560
  O       2.185368     -0.129467      2.832380
  C       2.214641     -2.481034      2.737398
  O       2.409360     -3.177041      3.686020
  Cl      2.867472     -2.854564      1.101704
  C      -0.707722      0.063745      2.777382
  C      -2.093906      0.017462      2.720990
  C      -2.781278     -1.201551      2.570453
  C      -4.243995     -1.182426      2.350774
  O      -4.919383     -1.932790      1.706248
  F      -4.827035     -0.080048      2.927199
  C      -6.874238     -4.504364      4.066577
  C      -7.161297     -4.672573      5.428465
  C      -8.287997     -4.090432      6.013932
  C      -8.562748     -4.267492      7.454382
  O      -9.516345     -3.807786      8.059052
  C      -7.537975     -5.067787      8.278277
  O      -6.542702     -4.632254      8.771209
  Cl     -8.089094     -6.761611      8.516065
  C      -9.168724     -3.321385      5.233815
  C      -8.904757     -3.156946      3.885480
  C      -7.779437     -3.751258      3.278723
  C      -7.637609     -3.486881      1.826533
  O      -8.212051     -2.653670      1.188799
  F      -6.790201     -4.356269      1.184450
  C      -2.695587     -4.757492      6.748296
  C      -1.980267     -3.557612      6.871343
  C      -1.753623     -2.966649      8.114416
  C      -1.031470     -1.679852      8.210018
  O      -0.766675     -1.091360      9.243310
  C      -0.619174     -0.993295      6.892776
  O      -1.254288     -0.181096      6.297012
  Cl      1.045952     -1.485711      6.406934
  C      -2.223675     -3.582587      9.287139
  C      -2.930304     -4.768573      9.189263
  C      -3.189876     -5.364264      7.936701
  C      -4.084320     -6.534953      7.871757
  O      -4.652874     -7.009323      6.926684
  F      -4.274937     -7.104429      9.109141
  H      -0.103643     -3.294677      2.582570
  H      -0.173723      1.006515      2.888926
  H      -2.672309      0.939054      2.772243
  H      -6.455166     -5.258381      6.020341
  H     -10.039919     -2.861674      5.700043
  H      -9.567262     -2.558143      3.260444
  H      -1.607169     -3.100887      5.953484
  H      -2.039619     -3.111678     10.252492
  H      -3.330790     -5.238503     10.085647
  N      -4.283304     -2.874606      4.884821
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.808955429974
  N      -2.690986     -3.676180      2.579849
  C      -2.300560     -4.643599      1.538318
  C      -2.160840     -6.055764      2.099559
  N      -3.313711     -6.395532      2.948386
  C      -4.531576     -6.750006      2.202532
  C      -5.771306     -6.412272      3.019164
  N      -5.665173     -5.051691      3.573838
  Mo     -3.901267     -4.276874      4.058181
  N      -2.905573     -5.279441      5.460200
  C      -2.262868     -6.570731      5.164448
  C      -2.999932     -7.310580      4.056028
  H      -2.236304     -7.210566      6.058733
  H      -1.210201     -6.380466      4.883448
  H      -3.948565     -7.684565      4.462659
  H      -2.407736     -8.180007      3.714177
  H      -6.656600     -6.486718      2.369312
  H      -5.916788     -7.132213      3.845774
  H      -4.544994     -6.150497      1.281570
  H      -4.540611     -7.817825      1.913937
  H      -1.346104     -4.348427      1.076325
  H      -3.058377     -4.611896      0.735511
  H      -1.261314     -6.099728      2.729763
  H      -2.029303     -6.782665      1.275895
  C      -2.065183     -2.420197      2.546215
  C      -0.664794     -2.355215      2.584772
  C       0.010281     -1.139005      2.700317
  C       1.485755     -1.125262      2.755928
  O       2.188460     -0.132967      2.843548
  C       2.212599     -2.482317      2.737000
  O       2.452623     -3.163514      3.685309
  Cl      2.787457     -2.884804      1.075888
  C      -0.706404      0.066115      2.786912
  C      -2.092757      0.021484      2.731765
  C      -2.781577     -1.196665      2.579075
  C      -4.243938     -1.174093      2.360772
  O      -4.920957     -1.918968      1.711669
  F      -4.824804     -0.073846      2.945457
  C      -6.875347     -4.507247      4.063021
  C      -7.160743     -4.667198      5.426164
  C      -8.289215     -4.086895      6.008961
  C      -8.562109     -4.258837      7.450256
  O      -9.519787     -3.802771      8.051640
  C      -7.531517     -5.044927      8.279801
  O      -6.533119     -4.599703      8.757869
  Cl     -8.077831     -6.734565      8.552346
  C      -9.173576     -3.326066      5.224398
  C      -8.910982     -3.168514      3.875492
  C      -7.782939     -3.761628      3.270854
  C      -7.642241     -3.503412      1.817389
  O      -8.232318     -2.684916      1.174328
  F      -6.774445     -4.356641      1.182997
  C      -2.695610     -4.760239      6.748961
  C      -1.979651     -3.560713      6.871226
  C      -1.751358     -2.969695      8.114053
  C      -1.030232     -1.682327      8.208732
  O      -0.763852     -1.094287      9.241979
  C      -0.618186     -0.995355      6.892275
  O      -1.239370     -0.166203      6.306069
  Cl      1.033203     -1.521918      6.388577
  C      -2.220090     -3.585525      9.287147
  C      -2.927670     -4.770960      9.190176
  C      -3.189179     -5.366653      7.937950
  C      -4.085594     -6.535881      7.874451
  O      -4.651533     -7.013038      6.929366
  F      -4.281255     -7.100411      9.113517
  H      -0.105303     -3.292290      2.582892
  H      -0.172404      1.008687      2.900287
  H      -2.669218      0.944165      2.785484
  H      -6.452091     -5.247440      6.020399
  H     -10.046361     -2.868592      5.689975
  H      -9.574790     -2.575664      3.246160
  H      -1.606257     -3.105138      5.952995
  H      -2.034579     -3.114784     10.252335
  H      -3.327077     -5.240534     10.087179
  N      -4.287351     -2.879217      4.889631
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.808977202193
  N      -2.695467     -3.672453      2.578666
  C      -2.305193     -4.638554      1.536241
  C      -2.161556     -6.051125      2.096060
  N      -3.312570     -6.394484      2.945860
  C      -4.530667     -6.750853      2.201599
  C      -5.770181     -6.414771      3.019498
  N      -5.665157     -5.054967      3.575682
  Mo     -3.902683     -4.278088      4.058693
  N      -2.905701     -5.280687      5.460427
  C      -2.260775     -6.570155      5.162499
  C      -2.996039     -7.309784      4.052691
  H      -2.232500     -7.210903      6.056085
  H      -1.208366     -6.378321      4.881125
  H      -3.944182     -7.686428      4.458173
  H      -2.401963     -8.177596      3.710135
  H      -6.656420     -6.489321      2.371049
  H      -5.913348     -7.136306      3.845236
  H      -4.546353     -6.150976      1.280848
  H      -4.537927     -7.818510      1.912604
  H      -1.352424     -4.341083      1.072164
  H      -3.064453     -4.608884      0.734650
  H      -1.261236     -6.093371      2.725382
  H      -2.029319     -6.777117      1.271746
  C      -2.068982     -2.416793      2.547837
  C      -0.668552     -2.353128      2.587261
  C       0.008367     -1.138274      2.701579
  C       1.483980     -1.126329      2.760378
  O       2.187200     -0.134590      2.850165
  C       2.210867     -2.483398      2.741801
  O       2.462066     -3.161085      3.689305
  Cl      2.770729     -2.892211      1.075700
  C      -0.707053      0.068076      2.786641
  C      -2.093899      0.024935      2.731048
  C      -2.784131     -1.192795      2.579393
  C      -4.246761     -1.169465      2.362338
  O      -4.924783     -1.916305      1.716536
  F      -4.826599     -0.067019      2.945371
  C      -6.876123     -4.510142      4.062176
  C      -7.160283     -4.665069      5.426164
  C      -8.288890     -4.084135      6.007474
  C      -8.558462     -4.249747      7.450115
  O      -9.515260     -3.790560      8.050514
  C      -7.525863     -5.031366      8.282044
  O      -6.528045     -4.581338      8.757094
  Cl     -8.066176     -6.720632      8.564039
  C      -9.175144     -3.328047      5.220584
  C      -8.914409     -3.175765      3.871023
  C      -7.785373     -3.769481      3.267526
  C      -7.645614     -3.514706      1.812897
  O      -8.240849     -2.701844      1.167492
  F      -6.770584     -4.362836      1.182744
  C      -2.696873     -4.762268      6.749840
  C      -1.979659     -3.563569      6.872865
  C      -1.752692     -2.971995      8.115641
  C      -1.025495     -1.687915      8.210528
  O      -0.758751     -1.099900      9.243789
  C      -0.606046     -1.005559      6.894703
  O      -1.225673     -0.181290      6.300037
  Cl      1.052499     -1.526588      6.407426
  C      -2.225124     -3.585672      9.288294
  C      -2.933134     -4.770764      9.190636
  C      -3.191843     -5.367903      7.938361
  C      -4.086393     -6.538490      7.875057
  O      -4.646208     -7.020348      6.928858
  F      -4.287738     -7.098889      9.115522
  H      -0.110830     -3.291231      2.585144
  H      -0.172329      1.010256      2.899722
  H      -2.668707      0.948693      2.783476
  H      -6.450222     -5.241677      6.022189
  H     -10.048068     -2.870404      5.685801
  H      -9.579072     -2.586444      3.239322
  H      -1.604256     -3.108941      5.955205
  H      -2.041143     -3.114159     10.253384
  H      -3.334413     -5.239212     10.087347
  N      -4.290627     -2.881769      4.892061
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809074363080
  N      -2.688889     -3.677841      2.582132
  C      -2.299814     -4.645636      1.541127
  C      -2.157007     -6.057586      2.102768
  N      -3.308865     -6.399723      2.952070
  C      -4.526639     -6.756780      2.207596
  C      -5.766547     -6.419085      3.024453
  N      -5.660142     -5.059437      3.580261
  Mo     -3.898365     -4.281472      4.061943
  N      -2.905070     -5.283111      5.466721
  C      -2.259802     -6.572835      5.170581
  C      -2.993508     -7.313385      4.060453
  H      -2.233549     -7.212938      6.064681
  H      -1.206870     -6.381476      4.891010
  H      -3.942104     -7.689864      4.465032
  H      -2.398880     -8.181488      3.719599
  H      -6.652381     -6.493081      2.375365
  H      -5.911344     -7.139913      3.850469
  H      -4.541359     -6.158380      1.285886
  H      -4.534186     -7.824874      1.920234
  H      -1.347289     -4.349324      1.075804
  H      -3.059697     -4.617122      0.740087
  H      -1.257160     -6.099592      2.732714
  H      -2.024602     -6.784464      1.279254
  C      -2.064524     -2.420964      2.547496
  C      -0.663204     -2.349224      2.578229
  C       0.005145     -1.126458      2.680239
  C       1.480084     -1.093535      2.725872
  O       2.170449     -0.091898      2.803102
  C       2.227388     -2.439154      2.670646
  O       2.531973     -3.116911      3.602084
  Cl      2.734363     -2.822920      0.980514
  C      -0.719716      0.073756      2.764198
  C      -2.104287      0.022333      2.718880
  C      -2.786131     -1.200376      2.578288
  C      -4.249583     -1.186131      2.369851
  O      -4.926000     -1.943721      1.735982
  F      -4.831984     -0.080516      2.943865
  C      -6.871468     -4.510256      4.060802
  C      -7.156190     -4.653530      5.426108
  C      -8.283653     -4.065879      6.002608
  C      -8.550410     -4.216768      7.447235
  O      -9.504672     -3.749923      8.045726
  C      -7.513933     -4.988486      8.283807
  O      -6.510761     -4.533894      8.743237
  Cl     -8.054406     -6.672324      8.593796
  C      -9.169046     -3.315126      5.209546
  C      -8.907857     -3.174351      3.858831
  C      -7.779143     -3.773830      3.260246
  C      -7.636409     -3.525398      1.804741
  O      -8.234861     -2.719326      1.153682
  F      -6.750272     -4.366896      1.181861
  C      -2.705582     -4.769813      6.759875
  C      -1.987053     -3.573064      6.896344
  C      -1.764632     -2.992857      8.145418
  C      -1.029738     -1.714426      8.256139
  O      -0.761030     -1.140799      9.296925
  C      -0.599546     -1.020210      6.949962
  O      -1.215608     -0.193514      6.354931
  Cl      1.052213     -1.556840      6.456201
  C      -2.245498     -3.614555      9.310443
  C      -2.957845     -4.795643      9.199106
  C      -3.210662     -5.382007      7.940714
  C      -4.107943     -6.549576      7.862643
  O      -4.660637     -7.024278      6.908668
  F      -4.324806     -7.114782      9.098398
  H      -0.098997     -3.283568      2.575319
  H      -0.191135      1.020473      2.867496
  H      -2.684275      0.942807      2.770105
  H      -6.446308     -5.224970      6.027122
  H     -10.040431     -2.851416      5.671603
  H      -9.570594     -2.588311      3.222083
  H      -1.605541     -3.111042      5.985140
  H      -2.064833     -3.151896     10.280388
  H      -3.366270     -5.269647     10.089616
  N      -4.285972     -2.883782      4.893209
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809137492552
  N      -2.685787     -3.688050      2.596688
  C      -2.291456     -4.654434      1.556663
  C      -2.152955     -6.067732      2.116774
  N      -3.310398     -6.411352      2.958334
  C      -4.524978     -6.766535      2.207843
  C      -5.768266     -6.430126      3.020476
  N      -5.662406     -5.072430      3.580005
  Mo     -3.903934     -4.294511      4.068653
  N      -2.917433     -5.297025      5.478044
  C      -2.273617     -6.587292      5.182445
  C      -3.002880     -7.325774      4.068194
  H      -2.251071     -7.228725      6.075733
  H      -1.219469     -6.397572      4.906445
  H      -3.954284     -7.701218      4.467053
  H      -2.407602     -8.194607      3.730260
  H      -6.651656     -6.501895      2.367775
  H      -5.917366     -7.152727      3.844113
  H      -4.535415     -6.166077      1.287402
  H      -4.531660     -7.833935      1.917946
  H      -1.336983     -4.357409      1.095828
  H      -3.047484     -4.625402      0.751926
  H      -1.257447     -6.110748      2.752778
  H      -2.015244     -6.793528      1.293205
  C      -2.071492     -2.426317      2.562576
  C      -0.670015     -2.333003      2.595397
  C      -0.025719     -1.094012      2.692818
  C       1.445528     -1.016241      2.740862
  O       2.105112      0.002948      2.847597
  C       2.232430     -2.339067      2.663132
  O       2.567544     -3.021227      3.580855
  Cl      2.684183     -2.714614      0.954333
  C      -0.774010      0.091288      2.770378
  C      -2.153514      0.018769      2.725238
  C      -2.811397     -1.215967      2.590965
  C      -4.275102     -1.224985      2.386647
  O      -4.940857     -2.004173      1.769050
  F      -4.872878     -0.121769      2.948639
  C      -6.876412     -4.516637      4.046176
  C      -7.169802     -4.644028      5.411515
  C      -8.296680     -4.042899      5.975453
  C      -8.567181     -4.169914      7.421637
  O      -9.519300     -3.688486      8.011536
  C      -7.536040     -4.937523      8.269445
  O      -6.535023     -4.479119      8.730233
  Cl     -8.091292     -6.608926      8.612403
  C      -9.173821     -3.296223      5.169697
  C      -8.904701     -3.171892      3.818933
  C      -7.775675     -3.783304      3.233270
  C      -7.620349     -3.543566      1.777289
  O      -8.213497     -2.742251      1.115918
  F      -6.741070     -4.399858      1.164850
  C      -2.710897     -4.779848      6.768317
  C      -1.970789     -3.595364      6.898305
  C      -1.720291     -3.023329      8.145170
  C      -0.939531     -1.771654      8.247399
  O      -0.632935     -1.212101      9.285447
  C      -0.500966     -1.093159      6.935745
  O      -1.085918     -0.230015      6.360861
  Cl      1.137800     -1.663855      6.438062
  C      -2.202544     -3.635118      9.315082
  C      -2.942000     -4.800085      9.209776
  C      -3.216931     -5.381814      7.953753
  C      -4.132522     -6.535637      7.884765
  O      -4.698138     -7.004739      6.935596
  F      -4.346155     -7.097901      9.122655
  H      -0.089426     -3.257513      2.596586
  H      -0.261676      1.047406      2.868857
  H      -2.748557      0.929562      2.772958
  H      -6.464837     -5.209327      6.023651
  H     -10.043931     -2.820611      5.621914
  H      -9.559807     -2.587870      3.172562
  H      -1.589610     -3.137847      5.984604
  H      -1.999476     -3.178879     10.283557
  H      -3.351042     -5.266317     10.104040
  N      -4.294903     -2.896716      4.898476
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809002647283
  N      -2.686437     -3.691865      2.608635
  C      -2.288959     -4.655678      1.567634
  C      -2.154457     -6.071103      2.123643
  N      -3.315267     -6.416520      2.959884
  C      -4.528588     -6.767717      2.205677
  C      -5.773185     -6.432555      3.017070
  N      -5.666643     -5.077119      3.581462
  Mo     -3.908840     -4.302934      4.075531
  N      -2.925505     -5.309836      5.484515
  C      -2.284622     -6.600604      5.186471
  C      -3.012843     -7.334360      4.068458
  H      -2.264570     -7.244458      6.078293
  H      -1.229476     -6.413320      4.912106
  H      -3.966417     -7.708666      4.463263
  H      -2.418574     -8.203824      3.730306
  H      -6.655611     -6.501192      2.362933
  H      -5.924267     -7.158048      3.837856
  H      -4.536762     -6.163782      1.287449
  H      -4.535638     -7.834019      1.911792
  H      -1.332602     -4.358234      1.110845
  H      -3.041892     -4.624142      0.759945
  H      -1.261637     -6.116829      2.763316
  H      -2.014111     -6.794567      1.298527
  C      -2.077574     -2.428142      2.576447
  C      -0.676895     -2.329114      2.611532
  C      -0.039067     -1.087663      2.713545
  C       1.431134     -1.000337      2.769908
  O       2.082735      0.019346      2.914648
  C       2.225245     -2.318481      2.687434
  O       2.604584     -2.978689      3.603693
  Cl      2.707550     -2.660208      0.978662
  C      -0.792936      0.094424      2.790930
  C      -2.172450      0.017322      2.740712
  C      -2.823574     -1.220976      2.603895
  C      -4.287923     -1.236401      2.399232
  O      -4.951301     -2.021436      1.786040
  F      -4.890874     -0.135562      2.960707
  C      -6.881217     -4.516479      4.040403
  C      -7.178781     -4.636164      5.405525
  C      -8.304253     -4.027213      5.963778
  C      -8.577493     -4.144070      7.410436
  O      -9.528172     -3.654306      7.995471
  C      -7.554179     -4.916555      8.264257
  O      -6.540247     -4.469254      8.707751
  Cl     -8.102589     -6.593962      8.584618
  C      -9.176550     -3.281519      5.152072
  C      -8.904272     -3.165834      3.801286
  C      -7.776161     -3.784720      3.221348
  C      -7.617750     -3.553442      1.764007
  O      -8.196005     -2.743923      1.099651
  F      -6.735515     -4.412168      1.159225
  C      -2.706205     -4.788821      6.770668
  C      -1.963002     -3.605099      6.887338
  C      -1.695868     -3.029087      8.128647
  C      -0.904299     -1.782902      8.214401
  O      -0.582346     -1.218650      9.245232
  C      -0.492579     -1.106130      6.893305
  O      -1.094889     -0.251962      6.322896
  Cl      1.109945     -1.717732      6.329748
  C      -2.166976     -3.634006      9.306721
  C      -2.911243     -4.797186      9.214347
  C      -3.199915     -5.384703      7.963927
  C      -4.113255     -6.541056      7.909949
  O      -4.684302     -7.018284      6.968198
  F      -4.317103     -7.094729      9.153607
  H      -0.092408     -3.251116      2.613727
  H      -0.283779      1.052112      2.892243
  H      -2.771364      0.925558      2.787625
  H      -6.477129     -5.200183      6.022520
  H     -10.046151     -2.800371      5.599425
  H      -9.555992     -2.583336      3.150175
  H      -1.593036     -3.150303      5.967426
  H      -1.951063     -3.174569     10.270902
  H      -3.311543     -5.258459     10.115113
  N      -4.299965     -2.906916      4.908601
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809224786654
  N      -2.676900     -3.688068      2.606194
  C      -2.282929     -4.652275      1.563999
  C      -2.148650     -6.067450      2.119429
  N      -3.307724     -6.411307      2.958314
  C      -4.522716     -6.760503      2.205688
  C      -5.765303     -6.424626      3.019566
  N      -5.656456     -5.069199      3.584475
  Mo     -3.895600     -4.297580      4.076414
  N      -2.911336     -5.307985      5.480767
  C      -2.271515     -6.599370      5.182148
  C      -3.002848     -7.331138      4.064662
  H      -2.253289     -7.243877      6.073674
  H      -1.216023     -6.412857      4.908541
  H      -3.955476     -7.705327      4.461839
  H      -2.410082     -8.200535      3.723573
  H      -6.648568     -6.492668      2.366710
  H      -5.915644     -7.149903      3.840660
  H      -4.531787     -6.156221      1.287771
  H      -4.531640     -7.826821      1.911568
  H      -1.326525     -4.356427      1.106159
  H      -3.037411     -4.618717      0.757823
  H      -1.254103     -6.115007      2.756487
  H      -2.011599     -6.790461      1.293334
  C      -2.065066     -2.426225      2.568973
  C      -0.664550     -2.339113      2.589978
  C      -0.012628     -1.107225      2.689878
  C       1.460890     -1.045899      2.731772
  O       2.132146     -0.036823      2.860825
  C       2.233150     -2.374602      2.621913
  O       2.606820     -3.057417      3.523404
  Cl      2.634474     -2.734703      0.895826
  C      -0.752625      0.083438      2.778899
  C      -2.136568      0.018819      2.737366
  C      -2.802175     -1.213274      2.600349
  C      -4.267883     -1.215795      2.398718
  O      -4.940985     -1.991064      1.782266
  F      -4.859693     -0.110741      2.963103
  C      -6.868478     -4.508647      4.050067
  C      -7.160354     -4.633234      5.415753
  C      -8.283579     -4.027263      5.981455
  C      -8.553673     -4.154673      7.427914
  O      -9.501144     -3.666503      8.019779
  C      -7.531728     -4.937935      8.272842
  O      -6.518368     -4.498232      8.724706
  Cl     -8.105374     -6.606003      8.604459
  C      -9.159573     -3.278839      5.176049
  C      -8.893016     -3.158637      3.824309
  C      -7.767535     -3.774810      3.236925
  C      -7.619611     -3.543963      1.778865
  O      -8.203812     -2.735107      1.118506
  F      -6.741714     -4.401934      1.166341
  C      -2.701186     -4.794233      6.771274
  C      -1.981436     -3.597807      6.899862
  C      -1.745351     -3.017605      8.146257
  C      -1.000851     -1.743783      8.247165
  O      -0.720729     -1.168621      9.284122
  C      -0.598327     -1.043977      6.934892
  O      -1.218802     -0.201160      6.367555
  Cl      1.035944     -1.587855      6.393027
  C      -2.218059     -3.636375      9.316368
  C      -2.936705     -4.814491      9.211984
  C      -3.199403     -5.402721      7.956429
  C      -4.095581     -6.571574      7.885283
  O      -4.648012     -7.052148      6.934149
  F      -4.316521     -7.126142      9.125328
  H      -0.088720     -3.266390      2.585145
  H      -0.232355      1.035446      2.878862
  H      -2.726887      0.932501      2.789209
  H      -6.456593     -5.201523      6.026565
  H     -10.028552     -2.801263      5.628415
  H      -9.549125     -2.575829      3.177848
  H      -1.612159     -3.132807      5.984929
  H      -2.026995     -3.173576     10.284255
  H      -3.340806     -5.285304     10.106178
  N      -4.281908     -2.902862      4.913423
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809172267624
  N      -2.673052     -3.689992      2.611853
  C      -2.273064     -4.653989      1.571452
  C      -2.141984     -6.068951      2.127727
  N      -3.305385     -6.412439      2.960763
  C      -4.516974     -6.760934      2.202355
  C      -5.762709     -6.426864      3.011842
  N      -5.657169     -5.071223      3.577515
  Mo     -3.897996     -4.299282      4.076163
  N      -2.917895     -5.308606      5.483908
  C      -2.278681     -6.601240      5.188563
  C      -3.006372     -7.332476      4.068600
  H      -2.264543     -7.245843      6.079718
  H      -1.222098     -6.415559      4.919017
  H      -3.960731     -7.705364      4.462625
  H      -2.413306     -8.202657      3.730020
  H      -6.643350     -6.496115      2.355645
  H      -5.915581     -7.152104      3.832421
  H      -4.522411     -6.155431      1.285203
  H      -4.524503     -7.826912      1.906827
  H      -1.314050     -4.358192      1.119260
  H      -3.022953     -4.619749      0.761054
  H      -1.250774     -6.116585      2.769336
  H      -2.000767     -6.792089      1.302459
  C      -2.069707     -2.423769      2.571549
  C      -0.669812     -2.325269      2.596870
  C      -0.028414     -1.087341      2.696078
  C       1.444495     -1.012939      2.745411
  O       2.106480      0.003918      2.858930
  C       2.229026     -2.334036      2.628617
  O       2.611091     -3.015403      3.527832
  Cl      2.629273     -2.684400      0.901013
  C      -0.777997      0.097359      2.779399
  C      -2.160759      0.021227      2.736165
  C      -2.815963     -1.216238      2.600662
  C      -4.281096     -1.230324      2.397872
  O      -4.947698     -2.011078      1.781518
  F      -4.880635     -0.127036      2.955886
  C      -6.870491     -4.514297      4.043835
  C      -7.162862     -4.643390      5.408908
  C      -8.287245     -4.040854      5.976259
  C      -8.558274     -4.172794      7.422240
  O      -9.505932     -3.686611      8.015321
  C      -7.524836     -4.940456      8.267880
  O      -6.521148     -4.483991      8.724560
  Cl     -8.084017     -6.610492      8.614768
  C      -9.165026     -3.292821      5.172602
  C      -8.897759     -3.167919      3.821106
  C      -7.770280     -3.778776      3.232835
  C      -7.620948     -3.540858      1.776381
  O      -8.220175     -2.743764      1.115377
  F      -6.757531     -4.409793      1.157624
  C      -2.708408     -4.790851      6.772884
  C      -1.966463     -3.607681      6.898088
  C      -1.723653     -3.025363      8.141898
  C      -0.953040     -1.766879      8.237440
  O      -0.643786     -1.202933      9.272169
  C      -0.499797     -1.103962      6.921861
  O      -1.073062     -0.240456      6.336211
  Cl      1.122382     -1.717012      6.419295
  C      -2.213823     -3.627592      9.313459
  C      -2.956537     -4.791069      9.212529
  C      -3.226068     -5.381315      7.959306
  C      -4.155792     -6.523987      7.890253
  O      -4.711649     -6.998921      6.938189
  F      -4.389990     -7.071701      9.130790
  H      -0.086127     -3.247655      2.597646
  H      -0.265147      1.053308      2.879110
  H      -2.759123      0.929779      2.785503
  H      -6.458395     -5.212230      6.018427
  H     -10.035168     -2.817656      5.625186
  H      -9.555100     -2.584124      3.176758
  H      -1.581340     -3.157088      5.982701
  H      -2.017580     -3.163238     10.279547
  H      -3.376067     -5.246992     10.107335
  N      -4.287580     -2.904470      4.911149
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809262281081
  N      -2.672141     -3.694251      2.616843
  C      -2.271810     -4.658195      1.576537
  C      -2.142320     -6.073602      2.132314
  N      -3.306806     -6.417145      2.963890
  C      -4.518145     -6.764801      2.204764
  C      -5.764231     -6.430029      3.013566
  N      -5.657870     -5.074659      3.579351
  Mo     -3.898865     -4.304136      4.079740
  N      -2.920584     -5.314579      5.488271
  C      -2.282497     -6.607546      5.192881
  C      -3.009567     -7.337572      4.071813
  H      -2.270183     -7.252506      6.083872
  H      -1.225329     -6.423314      4.924511
  H      -3.964776     -7.709797      4.464463
  H      -2.416916     -8.208211      3.733749
  H      -6.644665     -6.498685      2.357115
  H      -5.917885     -7.155328      3.833982
  H      -4.522877     -6.158903      1.287828
  H      -4.525997     -7.830622      1.908778
  H      -1.312316     -4.362906      1.125058
  H      -3.020888     -4.623521      0.765373
  H      -1.251946     -6.121884      2.775081
  H      -2.000407     -6.796483      1.306964
  C      -2.072990     -2.426083      2.574224
  C      -0.673253     -2.320783      2.598359
  C      -0.038715     -1.078428      2.692615
  C       1.433172     -0.992251      2.741340
  O       2.086802      0.028203      2.869154
  C       2.228260     -2.307458      2.627007
  O       2.620004     -2.983784      3.525749
  Cl      2.601920     -2.673352      0.895801
  C      -0.794804      0.102128      2.772940
  C      -2.176273      0.019311      2.731841
  C      -2.824756     -1.221882      2.601399
  C      -4.289917     -1.243075      2.401223
  O      -4.954400     -2.031656      1.792723
  F      -4.893078     -0.138607      2.953153
  C      -6.871345     -4.513548      4.040304
  C      -7.166262     -4.634959      5.405647
  C      -8.289694     -4.026134      5.968215
  C      -8.561702     -4.147620      7.414876
  O      -9.510541     -3.658517      8.003460
  C      -7.535281     -4.920071      8.264938
  O      -6.525056     -4.471449      8.714993
  Cl     -8.095903     -6.591716      8.600068
  C      -9.164339     -3.280071      5.159428
  C      -8.894672     -3.162660      3.807853
  C      -7.767799     -3.779464      3.224400
  C      -7.613572     -3.545625      1.767673
  O      -8.190364     -2.732365      1.106505
  F      -6.721723     -4.393523      1.160131
  C      -2.708447     -4.796867      6.776975
  C      -1.963290     -3.615480      6.901469
  C      -1.712128     -3.037281      8.145451
  C      -0.931896     -1.784666      8.239970
  O      -0.624623     -1.218414      9.274041
  C      -0.494253     -1.113756      6.923304
  O      -1.074935     -0.246932      6.349866
  Cl      1.126577     -1.715746      6.402991
  C      -2.198801     -3.640480      9.317972
  C      -2.944006     -4.802447      9.217875
  C      -3.219668     -5.389990      7.964712
  C      -4.144167     -6.537003      7.898359
  O      -4.704244     -7.011437      6.948580
  F      -4.376791     -7.082222      9.140412
  H      -0.084755     -3.240213      2.601138
  H      -0.286670      1.060912      2.868983
  H      -2.778935      0.925056      2.778926
  H      -6.463907     -5.201849      6.019314
  H     -10.033509     -2.799615      5.608291
  H      -9.548819     -2.579543      3.159684
  H      -1.581165     -3.163343      5.985575
  H      -1.995654     -3.179558     10.284257
  H      -3.358469     -5.260692     10.113824
  N      -4.288044     -2.909151      4.914831
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809041380172
  N      -2.667440     -3.697076      2.621372
  C      -2.271080     -4.660033      1.578949
  C      -2.145245     -6.076980      2.131740
  N      -3.309771     -6.419270      2.963609
  C      -4.522994     -6.762684      2.205867
  C      -5.767382     -6.425007      3.016258
  N      -5.656363     -5.070988      3.583588
  Mo     -3.895015     -4.306851      4.084277
  N      -2.918792     -5.322680      5.491242
  C      -2.284199     -6.616056      5.192489
  C      -3.013769     -7.341774      4.070135
  H      -2.273876     -7.262826      6.082580
  H      -1.226279     -6.435266      4.924116
  H      -3.970133     -7.711856      4.462251
  H      -2.423923     -8.213776      3.730752
  H      -6.648994     -6.489899      2.360964
  H      -5.922136     -7.151366      3.835635
  H      -4.527534     -6.155105      1.289963
  H      -4.533847     -7.827890      1.907927
  H      -1.311092     -4.366643      1.127099
  H      -3.020410     -4.622134      0.768046
  H      -1.254597     -6.128499      2.774017
  H      -2.005709     -6.798880      1.305182
  C      -2.068219     -2.429313      2.576868
  C      -0.668452     -2.324600      2.595934
  C      -0.033260     -1.082543      2.685105
  C       1.438758     -0.994546      2.728850
  O       2.090210      0.023766      2.882146
  C       2.235166     -2.309466      2.617417
  O       2.648028     -2.972790      3.516140
  Cl      2.630643     -2.660509      0.887087
  C      -0.788909      0.098545      2.765936
  C      -2.170570      0.016638      2.728130
  C      -2.819591     -1.224885      2.602693
  C      -4.285626     -1.245983      2.406720
  O      -4.952710     -2.039247      1.806903
  F      -4.887060     -0.138683      2.955958
  C      -6.868458     -4.503126      4.039883
  C      -7.164661     -4.614245      5.405911
  C      -8.284601     -3.995007      5.963855
  C      -8.556465     -4.103510      7.411560
  O      -9.502802     -3.604751      7.995889
  C      -7.547746     -4.897323      8.263669
  O      -6.533173     -4.466308      8.721247
  Cl     -8.149085     -6.551271      8.612225
  C      -9.154219     -3.248761      5.150058
  C      -8.885417     -3.144318      3.797455
  C      -7.762423     -3.772742      3.218124
  C      -7.610659     -3.555072      1.758258
  O      -8.201111     -2.760516      1.086684
  F      -6.757644     -4.442917      1.152422
  C      -2.702608     -4.809110      6.781106
  C      -1.970921     -3.619309      6.907764
  C      -1.717304     -3.046286      8.153892
  C      -0.948322     -1.786791      8.251151
  O      -0.659547     -1.212956      9.286370
  C      -0.570241     -1.077910      6.936436
  O      -1.204885     -0.234028      6.386296
  Cl      1.049042     -1.622054      6.352119
  C      -2.186923     -3.663375      9.326108
  C      -2.916002     -4.835253      9.223847
  C      -3.192634     -5.418440      7.968942
  C      -4.086128     -6.589552      7.902924
  O      -4.642493     -7.071254      6.954801
  F      -4.301780     -7.142731      9.144801
  H      -0.080647     -3.244490      2.597826
  H      -0.279686      1.057151      2.858066
  H      -2.772373      0.922955      2.773911
  H      -6.465658     -5.180537      6.023826
  H     -10.020524     -2.759922      5.595445
  H      -9.537111     -2.563504      3.144811
  H      -1.603623     -3.154667      5.991921
  H      -1.981385     -3.206734     10.293915
  H      -3.313893     -5.307164     10.120182
  N      -4.279617     -2.911844      4.921917
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809331302226
  N      -2.667873     -3.695569      2.623169
  C      -2.268554     -4.657752      1.580935
  C      -2.142240     -6.074563      2.133546
  N      -3.307580     -6.418193      2.963771
  C      -4.519288     -6.762522      2.203881
  C      -5.764966     -6.427294      3.013141
  N      -5.656677     -5.072931      3.580841
  Mo     -3.896289     -4.306856      4.084121
  N      -2.920566     -5.322358      5.490857
  C      -2.283833     -6.615206      5.192816
  C      -3.011703     -7.341393      4.069776
  H      -2.273526     -7.262348      6.082374
  H      -1.226067     -6.432219      4.925684
  H      -3.967630     -7.712921      4.461431
  H      -2.420474     -8.212338      3.729980
  H      -6.645492     -6.493902      2.356664
  H      -5.919589     -7.153646      3.832476
  H      -4.523259     -6.154535      1.288295
  H      -4.528555     -7.827674      1.905513
  H      -1.307771     -4.363477      1.131360
  H      -3.016442     -4.619666      0.768748
  H      -1.252349     -6.125760      2.776793
  H      -2.000994     -6.795832      1.306690
  C      -2.071271     -2.426484      2.578538
  C      -0.671813     -2.320375      2.599692
  C      -0.037228     -1.078598      2.692587
  C       1.435243     -0.993435      2.740711
  O       2.088901      0.025959      2.876266
  C       2.230624     -2.307864      2.618812
  O       2.641679     -2.978826      3.512599
  Cl      2.595246     -2.665861      0.883263
  C      -0.793193      0.102262      2.773708
  C      -2.175381      0.018937      2.733595
  C      -2.824024     -1.222751      2.605061
  C      -4.289778     -1.244742      2.406818
  O      -4.955781     -2.036383      1.803533
  F      -4.892412     -0.138065      2.955069
  C      -6.869494     -4.508142      4.038959
  C      -7.164814     -4.622847      5.404919
  C      -8.286489     -4.008396      5.964842
  C      -8.559269     -4.122834      7.411969
  O      -9.504036     -3.623751      7.998656
  C      -7.536025     -4.895465      8.265926
  O      -6.521908     -4.450049      8.710407
  Cl     -8.104008     -6.562611      8.610619
  C      -9.159090     -3.263592      5.152791
  C      -8.890272     -3.154521      3.800393
  C      -7.765401     -3.777343      3.219342
  C      -7.614352     -3.554418      1.760468
  O      -8.199821     -2.752706      1.092875
  F      -6.742211     -4.423041      1.153564
  C      -2.705316     -4.807129      6.780011
  C      -1.969166     -3.620175      6.904249
  C      -1.718535     -3.042208      8.148632
  C      -0.950334     -1.782070      8.243018
  O      -0.642259     -1.216573      9.277252
  C      -0.532301     -1.099016      6.926225
  O      -1.131064     -0.239233      6.360936
  Cl      1.087097     -1.683655      6.382107
  C      -2.195355     -3.652265      9.321628
  C      -2.931092     -4.820248      9.221688
  C      -3.206543     -5.407274      7.968287
  C      -4.116574     -6.565801      7.902668
  O      -4.667674     -7.049962      6.952603
  F      -4.338140     -7.116584      9.144384
  H      -0.083152     -3.239711      2.602201
  H      -0.284616      1.060987      2.868538
  H      -2.778231      0.924571      2.780147
  H      -6.464281     -5.189374      6.020982
  H     -10.027124     -2.778880      5.599275
  H      -9.544087     -2.574164      3.149430
  H      -1.595672     -3.162237      5.987679
  H      -1.992787     -3.191580     10.288158
  H      -3.337648     -5.284359     10.118237
  N      -4.282951     -2.912989      4.922378
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809121858148
  N      -2.664650     -3.695809      2.625052
  C      -2.261682     -4.656792      1.583045
  C      -2.135985     -6.073839      2.135088
  N      -3.302976     -6.418744      2.962390
  C      -4.512967     -6.762769      2.199648
  C      -5.760267     -6.429441      3.007088
  N      -5.654643     -5.075023      3.575588
  Mo     -3.895236     -4.309184      4.083024
  N      -2.921309     -5.324654      5.491081
  C      -2.284157     -6.617589      5.193785
  C      -3.009369     -7.342829      4.068441
  H      -2.275519     -7.265557      6.082497
  H      -1.225868     -6.434352      4.928943
  H      -3.966090     -7.714651      4.457824
  H      -2.417449     -8.213546      3.729305
  H      -6.639792     -6.497278      2.349558
  H      -5.914789     -7.156336      3.825958
  H      -4.515798     -6.153423      1.284922
  H      -4.520925     -7.827500      1.899766
  H      -1.299654     -4.361704      1.136654
  H      -3.007021     -4.618322      0.768522
  H      -1.247596     -6.124847      2.780420
  H      -1.992319     -6.794511      1.308155
  C      -2.074040     -2.423917      2.578987
  C      -0.675187     -2.311488      2.602344
  C      -0.045945     -1.067176      2.695048
  C       1.426271     -0.977151      2.747341
  O       2.076248      0.045290      2.877286
  C       2.226459     -2.288651      2.626587
  O       2.642773     -2.955489      3.520980
  Cl      2.587505     -2.649414      0.890878
  C      -0.806756      0.110787      2.773490
  C      -2.188630      0.021079      2.731937
  C      -2.831937     -1.223513      2.603897
  C      -4.297416     -1.252058      2.405124
  O      -4.960033     -2.046635      1.801885
  F      -4.904617     -0.146958      2.951382
  C      -6.867970     -4.513658      4.036107
  C      -7.160726     -4.632941      5.402061
  C      -8.282759     -4.023173      5.966080
  C      -8.552396     -4.142363      7.413535
  O      -9.502672     -3.655354      8.001577
  C      -7.525146     -4.914507      8.263335
  O      -6.529938     -4.456052      8.736296
  Cl     -8.107138     -6.570719      8.635959
  C      -9.159328     -3.279166      5.157708
  C      -8.892647     -3.164504      3.805254
  C      -7.766582     -3.781687      3.220410
  C      -7.616856     -3.550199      1.762754
  O      -8.198723     -2.741176      1.100986
  F      -6.729190     -4.401593      1.153604
  C      -2.706985     -4.806947      6.779374
  C      -1.954838     -3.629805      6.901123
  C      -1.702400     -3.048259      8.143214
  C      -0.914139     -1.800339      8.233328
  O      -0.601812     -1.232762      9.265078
  C      -0.476828     -1.134977      6.913558
  O      -1.059796     -0.272710      6.335610
  Cl      1.130665     -1.758895      6.377620
  C      -2.195728     -3.643445      9.316976
  C      -2.949883     -4.799888      9.219423
  C      -3.226674     -5.390870      7.968043
  C      -4.164376     -6.527278      7.903590
  O      -4.735487     -6.991734      6.955532
  F      -4.433598     -7.042073      9.151425
  H      -0.082535     -3.228267      2.607201
  H      -0.302297      1.071645      2.868410
  H      -2.795647      0.924020      2.777056
  H      -6.457757     -5.199588      6.015236
  H     -10.027976     -2.798095      5.606910
  H      -9.548869     -2.583154      3.157602
  H      -1.567622     -3.184190      5.984225
  H      -1.992329     -3.179707     10.281874
  H      -3.371471     -5.250299     10.116036
  N      -4.284084     -2.916123      4.921530
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809342121557
  N      -2.663312     -3.697360      2.625915
  C      -2.262179     -4.659307      1.584026
  C      -2.138092     -6.076235      2.136638
  N      -3.305110     -6.419232      2.964692
  C      -4.515853     -6.762040      2.202546
  C      -5.762396     -6.426787      3.010335
  N      -5.654670     -5.072242      3.578061
  Mo     -3.893891     -4.308280      4.084736
  N      -2.920691     -5.324750      5.492403
  C      -2.285285     -6.618625      5.195555
  C      -3.012027     -7.343312      4.070801
  H      -2.277987     -7.266217      6.084699
  H      -1.226693     -6.437028      4.930849
  H      -3.968985     -7.713769      4.460937
  H      -2.421449     -8.214897      3.731544
  H      -6.642199     -6.493804      2.353038
  H      -5.917732     -7.152955      3.829687
  H      -4.518231     -6.153081      1.287574
  H      -4.525344     -7.826895      1.903115
  H      -1.299849     -4.365776      1.137245
  H      -3.007804     -4.619982      0.769811
  H      -1.249380     -6.128233      2.781435
  H      -1.995874     -6.797391      1.309866
  C      -2.071851     -2.425919      2.577610
  C      -0.672837     -2.314672      2.598242
  C      -0.042508     -1.070620      2.688189
  C       1.429817     -0.981409      2.736752
  O       2.080573      0.040186      2.869363
  C       2.229010     -2.293689      2.617056
  O       2.643434     -2.961195      3.511838
  Cl      2.585734     -2.658491      0.881248
  C      -0.802295      0.107894      2.767042
  C      -2.184140      0.019323      2.727788
  C      -2.828778     -1.224784      2.602071
  C      -4.294404     -1.252015      2.404578
  O      -4.958650     -2.047811      1.804691
  F      -4.899849     -0.144637      2.948049
  C      -6.867097     -4.508378      4.037945
  C      -7.159793     -4.624457      5.404232
  C      -8.280491     -4.011385      5.967318
  C      -8.549671     -4.127479      7.415002
  O      -9.497718     -3.636648      8.003354
  C      -7.526659     -4.905247      8.264675
  O      -6.512791     -4.462664      8.712353
  Cl     -8.094782     -6.574836      8.598522
  C      -9.155585     -3.266803      5.157826
  C      -8.889329     -3.155912      3.804957
  C      -7.764900     -3.776761      3.220963
  C      -7.616043     -3.549901      1.762599
  O      -8.204870     -2.748800      1.097295
  F      -6.742911     -4.415517      1.152458
  C      -2.706620     -4.808758      6.781517
  C      -1.960092     -3.628272      6.906101
  C      -1.710151     -3.048980      8.149929
  C      -0.930469     -1.795978      8.244139
  O      -0.628412     -1.226123      9.277689
  C      -0.506300     -1.117579      6.926703
  O      -1.099441     -0.255224      6.359316
  Cl      1.113974     -1.706548      6.390268
  C      -2.199140     -3.650684      9.322196
  C      -2.946272     -4.811396      9.221879
  C      -3.221187     -5.399620      7.968900
  C      -4.148979     -6.543937      7.901401
  O      -4.703385     -7.021340      6.949840
  F      -4.393877     -7.081188      9.144689
  H      -0.080813     -3.231876      2.602961
  H      -0.296885      1.068453      2.859852
  H      -2.790321      0.922825      2.772668
  H      -6.457793     -5.191387      6.018301
  H     -10.023044     -2.782895      5.606275
  H      -9.544818     -2.574850      3.156301
  H      -1.576488     -3.177521      5.990148
  H      -1.997348     -3.188953     10.288394
  H      -3.363407     -5.267753     10.117551
  N      -4.280216     -2.914416      4.923019
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809192717596
  N      -2.662673     -3.700197      2.629885
  C      -2.262708     -4.661501      1.587072
  C      -2.141988     -6.079343      2.138057
  N      -3.310095     -6.420946      2.965112
  C      -4.521185     -6.761059      2.202512
  C      -5.767342     -6.424153      3.010140
  N      -5.657436     -5.070054      3.578196
  Mo     -3.895532     -4.310004      4.087154
  N      -2.924359     -5.329427      5.494432
  C      -2.290795     -6.623536      5.196035
  C      -3.018969     -7.346069      4.070792
  H      -2.284776     -7.271969      6.084888
  H      -1.231857     -6.443673      4.931387
  H      -3.976778     -7.714679      4.460662
  H      -2.430206     -8.218745      3.731163
  H      -6.647100     -6.489289      2.352500
  H      -5.924407     -7.150401      3.829111
  H      -4.522280     -6.151123      1.288162
  H      -4.532403     -7.825562      1.901897
  H      -1.299316     -4.369253      1.141677
  H      -3.007307     -4.619660      0.772001
  H      -1.253814     -6.133552      2.783442
  H      -2.000583     -6.800084      1.310793
  C      -2.071221     -2.428823      2.581072
  C      -0.672136     -2.317091      2.602436
  C      -0.042359     -1.072649      2.691935
  C       1.430002     -0.980825      2.741185
  O       2.077932      0.041501      2.881205
  C       2.232254     -2.291929      2.624512
  O       2.642752     -2.959805      3.520847
  Cl      2.616334     -2.642982      0.891974
  C      -0.802893      0.105613      2.769127
  C      -2.184566      0.016640      2.728431
  C      -2.828555     -1.227838      2.603721
  C      -4.294386     -1.256086      2.406202
  O      -4.958268     -2.055281      1.810393
  F      -4.900494     -0.147037      2.945439
  C      -6.869799     -4.503083      4.034629
  C      -7.166319     -4.615397      5.400537
  C      -8.286483     -3.996810      5.959101
  C      -8.560736     -4.108292      7.406187
  O      -9.498752     -3.596860      7.992982
  C      -7.542339     -4.887066      8.260623
  O      -6.532228     -4.443587      8.715980
  Cl     -8.140321     -6.536551      8.637647
  C      -9.156207     -3.250139      5.145889
  C      -8.887137     -3.144754      3.793154
  C      -7.764248     -3.772256      3.213497
  C      -7.612965     -3.553222      1.754072
  O      -8.188715     -2.745318      1.085682
  F      -6.739228     -4.422920      1.150422
  C      -2.704644     -4.813979      6.782799
  C      -1.970692     -3.625326      6.904440
  C      -1.715889     -3.047348      8.148000
  C      -0.951541     -1.784611      8.239150
  O      -0.631492     -1.223530      9.272073
  C      -0.544891     -1.098689      6.920122
  O      -1.157966     -0.248781      6.355014
  Cl      1.071079     -1.676282      6.360311
  C      -2.184211     -3.660279      9.322956
  C      -2.915606     -4.831206      9.225702
  C      -3.195848     -5.417739      7.973176
  C      -4.095643     -6.584312      7.911028
  O      -4.635733     -7.080808      6.961025
  F      -4.293062     -7.148518      9.150815
  H      -0.079998     -3.234164      2.608547
  H      -0.297714      1.066360      2.861305
  H      -2.791135      0.919933      2.771797
  H      -6.467943     -5.183137      6.017858
  H     -10.022892     -2.761547      5.590732
  H      -9.539624     -2.563800      3.141416
  H      -1.603552     -3.165321      5.986380
  H      -1.977905     -3.200042     10.288901
  H      -3.314183     -5.298732     10.124029
  N      -4.279824     -2.915845      4.926038
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809335837655
  N      -2.661901     -3.699358      2.631596
  C      -2.261323     -4.659592      1.588007
  C      -2.139739     -6.077811      2.137848
  N      -3.307514     -6.421068      2.964681
  C      -4.518405     -6.761429      2.201815
  C      -5.764856     -6.425806      3.009613
  N      -5.655916     -5.071924      3.578445
  Mo     -3.894357     -4.311535      4.088326
  N      -2.923254     -5.331852      5.494974
  C      -2.288379     -6.625176      5.195562
  C      -3.015582     -7.347151      4.069375
  H      -2.281925     -7.274500      6.083583
  H      -1.229547     -6.444044      4.931349
  H      -3.973093     -7.717154      4.458632
  H      -2.425924     -8.218871      3.728879
  H      -6.644593     -6.491322      2.352054
  H      -5.921155     -7.152678      3.828188
  H      -4.519985     -6.150863      1.287877
  H      -4.528878     -7.825733      1.900503
  H      -1.298001     -4.366620      1.142915
  H      -3.005834     -4.617516      0.772866
  H      -1.251484     -6.132040      2.783126
  H      -1.997886     -6.797652      1.309880
  C      -2.072456     -2.427047      2.582876
  C      -0.673549     -2.313626      2.603592
  C      -0.045084     -1.068668      2.693184
  C       1.427151     -0.976344      2.742488
  O       2.075110      0.046391      2.879619
  C       2.230062     -2.286217      2.619556
  O       2.650113     -2.953328      3.511880
  Cl      2.587874     -2.644200      0.882231
  C      -0.806782      0.108795      2.771224
  C      -2.188434      0.018151      2.731275
  C      -2.831221     -1.227038      2.606362
  C      -4.296963     -1.256712      2.409325
  O      -4.960545     -2.056517      1.813953
  F      -4.903831     -0.147925      2.948540
  C      -6.868399     -4.505090      4.034599
  C      -7.163554     -4.615111      5.401057
  C      -8.283904     -3.997026      5.959642
  C      -8.556486     -4.106356      7.407208
  O      -9.497971     -3.600150      7.992975
  C      -7.534377     -4.878333      8.263358
  O      -6.519413     -4.433432      8.706382
  Cl     -8.107825     -6.541612      8.617584
  C      -9.155689     -3.253455      5.145741
  C      -8.887791     -3.149835      3.792710
  C      -7.764236     -3.776333      3.213035
  C      -7.614219     -3.558281      1.753343
  O      -8.198931     -2.758127      1.083353
  F      -6.744400     -4.431098      1.148811
  C      -2.704502     -4.816853      6.783721
  C      -1.965863     -3.631162      6.905786
  C      -1.711751     -3.052554      8.149111
  C      -0.941782     -1.793269      8.240245
  O      -0.624833     -1.230127      9.273025
  C      -0.528421     -1.111694      6.921126
  O      -1.131913     -0.254632      6.356571
  Cl      1.090472     -1.692336      6.372247
  C      -2.186493     -3.661341      9.323595
  C      -2.923671     -4.828614      9.225949
  C      -3.202818     -5.416163      7.973598
  C      -4.111853     -6.575596      7.911015
  O      -4.670569     -7.056209      6.963644
  F      -4.347258     -7.111977      9.156574
  H      -0.080302     -3.230041      2.608876
  H      -0.302750      1.070126      2.863584
  H      -2.795908      0.920811      2.775243
  H      -6.464100     -5.181220      6.018684
  H     -10.022721     -2.765512      5.590630
  H      -9.541478     -2.570804      3.140453
  H      -1.593600     -3.174559      5.988078
  H      -1.981081     -3.200431     10.289415
  H      -3.328112     -5.292076     10.123783
  N      -4.279312     -2.918375      4.928611
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809218535162
  N      -2.658561     -3.698989      2.630473
  C      -2.255900     -4.659636      1.587857
  C      -2.133143     -6.077152      2.139067
  N      -3.301083     -6.421079      2.965403
  C      -4.511155     -6.762643      2.201526
  C      -5.758350     -6.428162      3.008636
  N      -5.651511     -5.073454      3.576533
  Mo     -3.890387     -4.311712      4.087102
  N      -2.919796     -5.330629      5.494659
  C      -2.283963     -6.624334      5.197203
  C      -3.009208     -7.347053      4.070307
  H      -2.278342     -7.273428      6.084951
  H      -1.224956     -6.442333      4.934576
  H      -3.966558     -7.718122      4.458881
  H      -2.418362     -8.218117      3.730210
  H      -6.637726     -6.496070      2.351067
  H      -5.913405     -7.154383      3.827989
  H      -4.512772     -6.152418      1.287379
  H      -4.520473     -7.827113      1.900717
  H      -1.292328     -4.366289      1.143567
  H      -2.999721     -4.618657      0.772065
  H      -1.245163     -6.130196      2.784764
  H      -1.990116     -6.797227      1.311498
  C      -2.073578     -2.424643      2.578881
  C      -0.675127     -2.307208      2.598213
  C      -0.049917     -1.060561      2.685369
  C       1.422079     -0.966828      2.733585
  O       2.070048      0.057126      2.861658
  C       2.225540     -2.275704      2.608676
  O       2.658338     -2.936301      3.499663
  Cl      2.555060     -2.647779      0.868266
  C      -0.814309      0.115025      2.762836
  C      -2.195756      0.020237      2.725015
  C      -2.835661     -1.226744      2.601985
  C      -4.301082     -1.260205      2.405652
  O      -4.963599     -2.061668      1.811311
  F      -4.909769     -0.151295      2.942320
  C      -6.863618     -4.509014      4.036203
  C      -7.153186     -4.621155      5.403582
  C      -8.273129     -4.007956      5.967845
  C      -8.538383     -4.119752      7.416660
  O      -9.493583     -3.640949      8.003452
  C      -7.514799     -4.897021      8.265937
  O      -6.507388     -4.450323      8.723791
  Cl     -8.081568     -6.567709      8.598073
  C      -9.151825     -3.267950      5.158052
  C      -8.888242     -3.159799      3.804446
  C      -7.763718     -3.779587      3.219448
  C      -7.616998     -3.551931      1.761059
  O      -8.208969     -2.752423      1.096570
  F      -6.735673     -4.408960      1.150593
  C      -2.707578     -4.815106      6.784258
  C      -1.950908     -3.641209      6.909847
  C      -1.701888     -3.060990      8.153246
  C      -0.909361     -1.816198      8.247779
  O      -0.616922     -1.239925      9.280512
  C      -0.480790     -1.141265      6.929845
  O      -1.069266     -0.276794      6.360747
  Cl      1.139579     -1.734850      6.398621
  C      -2.204481     -3.653794      9.324259
  C      -2.964283     -4.806193      9.222811
  C      -3.238139     -5.395545      7.970044
  C      -4.187330     -6.522174      7.899534
  O      -4.733065     -7.001620      6.943976
  F      -4.447244     -7.053929      9.142227
  H      -0.079079     -3.221881      2.604183
  H      -0.312916      1.077864      2.853642
  H      -2.805705      0.921257      2.768769
  H      -6.449377     -5.185957      6.017552
  H     -10.018996     -2.784040      5.607040
  H      -9.545702     -2.580855      3.155880
  H      -1.556444     -3.197917      5.994845
  H      -2.004066     -3.191055     10.290267
  H      -3.393829     -5.253642     10.117102
  N      -4.276322     -2.918736      4.927007
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809375292762
  N      -2.658761     -3.700104      2.633170
  C      -2.257100     -4.660467      1.590029
  C      -2.136602     -6.078556      2.140259
  N      -3.305256     -6.421301      2.966004
  C      -4.515562     -6.760978      2.201824
  C      -5.762535     -6.425219      3.008678
  N      -5.654112     -5.070950      3.576993
  Mo     -3.892219     -4.311788      4.088959
  N      -2.922694     -5.332508      5.496312
  C      -2.288363     -6.626431      5.197808
  C      -3.014820     -7.347800      4.070769
  H      -2.283620     -7.275897      6.085636
  H      -1.229099     -6.445872      4.935047
  H      -3.972832     -7.717329      4.459242
  H      -2.425386     -8.219788      3.730580
  H      -6.641817     -6.491471      2.350675
  H      -5.919078     -7.151623      3.827602
  H      -4.516173     -6.150137      1.288067
  H      -4.526143     -7.825213      1.900245
  H      -1.292881     -4.368029      1.146486
  H      -3.000350     -4.617889      0.773769
  H      -1.248933     -6.133078      2.786293
  H      -1.994266     -6.798472      1.312441
  C      -2.072666     -2.426290      2.581373
  C      -0.674022     -2.309763      2.600681
  C      -0.048050     -1.063353      2.686991
  C       1.424117     -0.968734      2.734663
  O       2.070711      0.055222      2.869164
  C       2.228982     -2.277663      2.615278
  O       2.652169     -2.940512      3.509263
  Cl      2.579200     -2.644504      0.878144
  C      -0.812027      0.112704      2.763338
  C      -2.193500      0.018890      2.724784
  C      -2.834024     -1.227831      2.602945
  C      -4.299695     -1.260710      2.406687
  O      -4.962430     -2.063335      1.814109
  F      -4.908073     -0.150906      2.941922
  C      -6.866353     -4.504593      4.034111
  C      -7.159373     -4.614737      5.400941
  C      -8.279237     -3.997816      5.961571
  C      -8.549242     -4.107872      7.409570
  O      -9.493009     -3.607216      7.996519
  C      -7.529012     -4.885806      8.262430
  O      -6.514071     -4.444728      8.709158
  Cl     -8.110247     -6.546989      8.614944
  C      -9.153117     -3.255078      5.149148
  C      -8.887174     -3.150820      3.795719
  C      -7.763856     -3.775901      3.214099
  C      -7.615604     -3.555464      1.754666
  O      -8.202114     -2.755107      1.086451
  F      -6.742571     -4.423722      1.148087
  C      -2.705652     -4.817570      6.785424
  C      -1.960673     -3.635971      6.909047
  C      -1.707610     -3.057627      8.152698
  C      -0.930534     -1.802880      8.245481
  O      -0.619054     -1.237560      9.278700
  C      -0.513445     -1.121984      6.927042
  O      -1.114379     -0.264046      6.361072
  Cl      1.103540     -1.708637      6.379049
  C      -2.190770     -3.662133      9.325939
  C      -2.935551     -4.824416      9.226686
  C      -3.213942     -5.411473      7.973927
  C      -4.136154     -6.560337      7.908450
  O      -4.688635     -7.041712      6.957796
  F      -4.375749     -7.098881      9.152276
  H      -0.078715     -3.224849      2.607454
  H      -0.309968      1.075288      2.853264
  H      -2.802911      0.920318      2.767347
  H      -6.458512     -5.180464      6.017346
  H     -10.019865     -2.767876      5.595388
  H      -9.542224     -2.571861      3.144757
  H      -1.581383     -3.183289      5.992290
  H      -1.986374     -3.201407     10.292068
  H      -3.347638     -5.283414     10.123331
  N      -4.276814     -2.918508      4.929088
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809363168989
  N      -2.657206     -3.702123      2.634682
  C      -2.255216     -4.662330      1.591417
  C      -2.136464     -6.080711      2.141258
  N      -3.305943     -6.422751      2.966128
  C      -4.516117     -6.760936      2.200972
  C      -5.763291     -6.424581      3.007248
  N      -5.654377     -5.070343      3.575632
  Mo     -3.891802     -4.313311      4.089409
  N      -2.923613     -5.335304      5.496696
  C      -2.290533     -6.629880      5.198375
  C      -3.017086     -7.350086      4.070616
  H      -2.287321     -7.279602      6.086075
  H      -1.230862     -6.450454      4.936526
  H      -3.975689     -7.718750      4.458449
  H      -2.428398     -8.222553      3.730362
  H      -6.642284     -6.490412      2.348822
  H      -5.920544     -7.150899      3.826111
  H      -4.515702     -6.149557      1.287573
  H      -4.527456     -7.824990      1.898777
  H      -1.290151     -4.370691      1.149181
  H      -2.997452     -4.618561      0.774300
  H      -1.249257     -6.136274      2.787838
  H      -1.994194     -6.800418      1.313245
  C      -2.072430     -2.427794      2.582097
  C      -0.673962     -2.310241      2.602044
  C      -0.049037     -1.063458      2.689577
  C       1.422922     -0.968383      2.738316
  O       2.069335      0.055858      2.871921
  C       2.227954     -2.276399      2.612378
  O       2.661426     -2.936778      3.503274
  Cl      2.582948     -2.630705      0.873569
  C      -0.813841      0.112028      2.766016
  C      -2.195159      0.017197      2.726455
  C      -2.834770     -1.229954      2.603735
  C      -4.300267     -1.263710      2.406772
  O      -4.962669     -2.067188      1.814895
  F      -4.909398     -0.153965      2.941276
  C      -6.866218     -4.503339      4.032929
  C      -7.158697     -4.612498      5.399961
  C      -8.278147     -3.995025      5.960770
  C      -8.547755     -4.104729      7.408852
  O      -9.490125     -3.602063      7.996355
  C      -7.525671     -4.879878      8.261876
  O      -6.511288     -4.436667      8.707741
  Cl     -8.105733     -6.540532      8.619075
  C      -9.152190     -3.252506      5.148277
  C      -8.886718     -3.149103      3.794671
  C      -7.763891     -3.774893      3.212904
  C      -7.616427     -3.556008      1.753241
  O      -8.200791     -2.754103      1.084978
  F      -6.743864     -4.425065      1.147032
  C      -2.705616     -4.820279      6.785539
  C      -1.961355     -3.638150      6.908364
  C      -1.707843     -3.059413      8.151707
  C      -0.932841     -1.803332      8.243507
  O      -0.620688     -1.237661      9.276347
  C      -0.521007     -1.120610      6.924346
  O      -1.120379     -0.256185      6.366655
  Cl      1.100502     -1.695565      6.377596
  C      -2.189325     -3.664400      9.325416
  C      -2.933457     -4.827208      9.226915
  C      -3.212614     -5.414458      7.974427
  C      -4.133762     -6.564209      7.909459
  O      -4.686960     -7.045523      6.959190
  F      -4.373520     -7.101807      9.153609
  H      -0.077884     -3.224837      2.609063
  H      -0.312541      1.074942      2.856712
  H      -2.805302      0.918130      2.769135
  H      -6.457880     -5.178227      6.016409
  H     -10.018723     -2.764888      5.594480
  H      -9.541999     -2.570424      3.143691
  H      -1.583283     -3.185221      5.991095
  H      -1.984389     -3.203515     10.291362
  H      -3.344277     -5.286579     10.123954
  N      -4.275334     -2.919988      4.929906
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809380764354
  N      -2.656844     -3.701814      2.635497
  C      -2.254550     -4.661450      1.591924
  C      -2.135953     -6.080141      2.141099
  N      -3.305601     -6.422659      2.965506
  C      -4.515688     -6.760369      2.200106
  C      -5.762863     -6.424235      3.006468
  N      -5.654003     -5.070207      3.575277
  Mo     -3.891424     -4.313929      4.089939
  N      -2.923999     -5.336807      5.497219
  C      -2.291001     -6.631223      5.198303
  C      -3.017114     -7.350551      4.069691
  H      -2.288218     -7.281504      6.085605
  H      -1.231180     -6.451937      4.936890
  H      -3.975959     -7.719317      4.456862
  H      -2.428426     -8.222927      3.729224
  H      -6.641969     -6.489957      2.348205
  H      -5.919922     -7.150885      3.825094
  H      -4.515211     -6.148417      1.287072
  H      -4.526987     -7.824231      1.897269
  H      -1.289308     -4.369553      1.150210
  H      -2.996370     -4.617410      0.774419
  H      -1.248922     -6.135872      2.787926
  H      -1.993426     -6.799519      1.312852
  C      -2.073003     -2.427032      2.582963
  C      -0.674578     -2.308383      2.604233
  C      -0.050433     -1.061257      2.691645
  C       1.421549     -0.964779      2.742519
  O       2.066389      0.060362      2.876403
  C       2.228955     -2.271697      2.618477
  O       2.656097     -2.935593      3.509720
  Cl      2.578443     -2.631964      0.879598
  C      -0.816200      0.113819      2.766495
  C      -2.197492      0.017918      2.725718
  C      -2.836211     -1.229773      2.603353
  C      -4.301739     -1.265034      2.406358
  O      -4.963487     -2.071147      1.817313
  F      -4.911805     -0.153978      2.937255
  C      -6.865905     -4.503199      4.032253
  C      -7.157461     -4.610815      5.399647
  C      -8.276599     -3.992938      5.960499
  C      -8.544482     -4.100554      7.409054
  O      -9.486520     -3.597484      7.996704
  C      -7.521478     -4.874895      8.261994
  O      -6.506947     -4.430861      8.706760
  Cl     -8.098367     -6.536713      8.618137
  C      -9.151620     -3.251944      5.147730
  C      -8.887303     -3.150277      3.793787
  C      -7.764525     -3.776296      3.211943
  C      -7.618149     -3.558654      1.751875
  O      -8.204533     -2.758758      1.083012
  F      -6.746368     -4.428593      1.145975
  C      -2.705675     -4.821767      6.785990
  C      -1.960082     -3.640483      6.908348
  C      -1.706154     -3.061222      8.151312
  C      -0.928256     -1.806827      8.242215
  O      -0.614344     -1.241356      9.274624
  C      -0.516954     -1.125010      6.922454
  O      -1.122636     -0.269043      6.358459
  Cl      1.101989     -1.703022      6.371635
  C      -2.189030     -3.664580      9.325297
  C      -2.934605     -4.826510      9.227233
  C      -3.213750     -5.414498      7.975043
  C      -4.135954     -6.563406      7.910527
  O      -4.687211     -7.046326      6.959968
  F      -4.378538     -7.098711      9.155225
  H      -0.078086     -3.222686      2.612392
  H      -0.315719      1.077150      2.857191
  H      -2.808224      0.918490      2.767321
  H      -6.456102     -5.175539      6.016381
  H     -10.017949     -2.764025      5.594000
  H      -9.543303     -2.572781      3.142492
  H      -1.581338     -3.188589      5.990970
  H      -1.983962     -3.203197     10.290968
  H      -3.346463     -5.284610     10.124437
  N      -4.274850     -2.920848      4.931006
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809379454319
  N      -2.654297     -3.702478      2.636388
  C      -2.252198     -4.662364      1.592941
  C      -2.134416     -6.080940      2.142391
  N      -3.304237     -6.422746      2.966792
  C      -4.514439     -6.759921      2.201225
  C      -5.761537     -6.423218      3.007430
  N      -5.652451     -5.068765      3.575408
  Mo     -3.889184     -4.313724      4.090787
  N      -2.922534     -5.337148      5.498095
  C      -2.289795     -6.631820      5.199488
  C      -3.016077     -7.350851      4.070826
  H      -2.287793     -7.282143      6.086703
  H      -1.229813     -6.452817      4.938614
  H      -3.974982     -7.719334      4.458080
  H      -2.427690     -8.223368      3.730210
  H      -6.640561     -6.489394      2.349160
  H      -5.918693     -7.149246      3.826570
  H      -4.513594     -6.148067      1.288129
  H      -4.526238     -7.823821      1.898512
  H      -1.286506     -4.371161      1.151706
  H      -2.993656     -4.617783      0.775150
  H      -1.247408     -6.137104      2.789187
  H      -1.992255     -6.800432      1.314176
  C      -2.072268     -2.426895      2.581243
  C      -0.673910     -2.306436      2.599246
  C      -0.051234     -1.058201      2.682696
  C       1.420740     -0.959833      2.728137
  O       2.064769      0.065572      2.864036
  C       2.229107     -2.266693      2.610471
  O       2.658267     -2.925127      3.504806
  Cl      2.575397     -2.636827      0.872994
  C      -0.818378      0.115886      2.757794
  C      -2.199498      0.018102      2.720160
  C      -2.836982     -1.230512      2.600899
  C      -4.302549     -1.267647      2.405472
  O      -4.964205     -2.075425      1.818625
  F      -4.913008     -0.155630      2.933725
  C      -6.864023     -4.501289      4.032700
  C      -7.154378     -4.607413      5.400519
  C      -8.273344     -3.989484      5.961791
  C      -8.540547     -4.096131      7.410556
  O      -9.484557     -3.596244      7.997794
  C      -7.520507     -4.874895      8.262798
  O      -6.504521     -4.435101      8.708401
  Cl     -8.103472     -6.535365      8.616088
  C      -9.149345     -3.249643      5.148976
  C      -8.885992     -3.149069      3.794767
  C      -7.763500     -3.775102      3.212557
  C      -7.617812     -3.557371      1.752533
  O      -8.205958     -2.758654      1.083742
  F      -6.745120     -4.426016      1.146070
  C      -2.706018     -4.823229      6.787674
  C      -1.960752     -3.641967      6.912645
  C      -1.709419     -3.063892      8.156740
  C      -0.933366     -1.808613      8.250594
  O      -0.618959     -1.245880      9.284320
  C      -0.516175     -1.127088      6.932446
  O      -1.118035     -0.269671      6.366608
  Cl      1.102014     -1.710704      6.385298
  C      -2.194171     -3.668787      9.329154
  C      -2.939433     -4.830650      9.228525
  C      -3.216510     -5.417129      7.975212
  C      -4.139832     -6.564955      7.907565
  O      -4.689179     -7.046755      6.955305
  F      -4.386093     -7.100715      9.151276
  H      -0.076051     -3.219886      2.607294
  H      -0.319038      1.080083      2.845481
  H      -2.811312      0.917961      2.761311
  H      -6.452383     -5.171447      6.017153
  H     -10.015502     -2.761607      5.595445
  H      -9.542572     -2.572145      3.143532
  H      -1.580225     -3.189232      5.996430
  H      -1.991059     -3.208406     10.295719
  H      -3.353092     -5.289639     10.124450
  N      -4.271555     -2.920386      4.931821
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809387191551
  N      -2.654003     -3.703071      2.638352
  C      -2.251282     -4.662258      1.594512
  C      -2.134188     -6.081249      2.143095
  N      -3.304484     -6.423399      2.966663
  C      -4.514455     -6.759717      2.200358
  C      -5.761795     -6.423148      3.006235
  N      -5.652825     -5.068822      3.574528
  Mo     -3.889416     -4.315116      4.091832
  N      -2.923779     -5.339814      5.499014
  C      -2.291232     -6.634410      5.199753
  C      -3.017111     -7.352399      4.070169
  H      -2.289773     -7.285370      6.086494
  H      -1.231087     -6.455533      4.939425
  H      -3.976329     -7.720897      4.456643
  H      -2.428800     -8.224827      3.729207
  H      -6.640652     -6.489204      2.347750
  H      -5.919127     -7.149385      3.825164
  H      -4.513104     -6.147186      1.287705
  H      -4.526379     -7.823388      1.896869
  H      -1.285111     -4.370992      1.154342
  H      -2.991960     -4.616937      0.776042
  H      -1.247547     -6.137951      2.790361
  H      -1.991688     -6.800255      1.314521
  C      -2.073228     -2.426927      2.583374
  C      -0.675014     -2.305347      2.602740
  C      -0.053306     -1.056771      2.686948
  C       1.418541     -0.957547      2.734816
  O       2.061765      0.068611      2.868841
  C       2.228129     -2.263317      2.613813
  O       2.659163     -2.922970      3.506310
  Cl      2.572939     -2.629689      0.875136
  C      -0.821385      0.116826      2.760901
  C      -2.202413      0.017959      2.721694
  C      -2.838934     -1.231177      2.602078
  C      -4.304349     -1.269585      2.405694
  O      -4.965304     -2.079264      1.820616
  F      -4.915898     -0.156829      2.931277
  C      -6.864483     -4.500967      4.031041
  C      -7.154820     -4.605512      5.399030
  C      -8.273836     -3.987071      5.959626
  C      -8.541084     -4.092302      7.408474
  O      -9.483009     -3.588492      7.995693
  C      -7.519986     -4.868485      8.261849
  O      -6.504355     -4.426867      8.706476
  Cl     -8.101629     -6.528505      8.619223
  C      -9.149854     -3.248131      5.146034
  C      -8.886607     -3.149159      3.791716
  C      -7.764127     -3.775869      3.210137
  C      -7.618400     -3.559441      1.749890
  O      -8.205836     -2.760707      1.080507
  F      -6.746336     -4.429205      1.144188
  C      -2.705710     -4.825615      6.788231
  C      -1.959247     -3.644941      6.911708
  C      -1.705615     -3.066554      8.155150
  C      -0.927674     -1.812291      8.247174
  O      -0.612635     -1.248386      9.280074
  C      -0.515693     -1.129865      6.927889
  O      -1.121659     -0.274293      6.363569
  Cl      1.103350     -1.707596      6.377372
  C      -2.189296     -3.670465      9.328516
  C      -2.935568     -4.831817      9.229415
  C      -3.214845     -5.418706      7.976753
  C      -4.138653     -6.566239      7.911097
  O      -4.688958     -7.048843      6.959809
  F      -4.383708     -7.100927      9.155536
  H      -0.076562     -3.218395      2.611634
  H      -0.322902      1.081412      2.849167
  H      -2.814907      0.917383      2.762082
  H      -6.452867     -5.168838      6.016343
  H     -10.016058     -2.759669      5.591948
  H      -9.543236     -2.573013      3.139847
  H      -1.579544     -3.192998      5.994752
  H      -1.984383     -3.209869     10.294597
  H      -3.348223     -5.290123     10.126146
  N      -4.271519     -2.922109      4.933598
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668060-5g5i/orca E -7995.809390066045
  N      -2.652659     -3.704110      2.640573
  C      -2.249535     -4.662620      1.596280
  C      -2.133632     -6.082056      2.143969
  N      -3.304453     -6.424148      2.966770
  C      -4.514380     -6.759005      2.199705
  C      -5.761787     -6.422160      3.005327
  N      -5.652623     -5.067821      3.573635
  Mo     -3.888529     -4.316578      4.093259
  N      -2.924331     -5.343133      5.500167
  C      -2.292408     -6.637859      5.200200
  C      -3.018141     -7.354353      4.069564
  H      -2.291925     -7.289580      6.086387
  H      -1.232001     -6.459457      4.940603
  H      -3.977783     -7.722601      4.455246
  H      -2.430230     -8.226832      3.728058
  H      -6.640555     -6.488168      2.346743
  H      -5.919290     -7.148364      3.824255
  H      -4.512311     -6.145696      1.287564
  H      -4.526881     -7.822412      1.895335
  H      -1.282664     -4.371660      1.157404
  H      -2.989271     -4.616162      0.777009
  H      -1.247315     -6.139653      2.791607
  H      -1.991134     -6.800578      1.314979
  C      -2.073862     -2.427104      2.584766
  C      -0.675829     -2.303765      2.604974
  C      -0.055599     -1.054524      2.689167
  C       1.416121     -0.953820      2.738425
  O       2.058141      0.073263      2.871229
  C       2.227464     -2.258311      2.615691
  O       2.660427     -2.918070      3.507136
  Cl      2.572061     -2.622113      0.876321
  C      -0.825144      0.118238      2.761864
  C      -2.206030      0.017636      2.721517
  C      -2.841141     -1.232329      2.602216
  C      -4.306403     -1.272715      2.405222
  O      -4.966619     -2.085365      1.823355
  F      -4.919234     -0.158495      2.926353
  C      -6.864099     -4.499311      4.029632
  C      -7.153401     -4.600994      5.398105
  C      -8.272292     -3.981992      5.958266
  C      -8.538557     -4.084619      7.407463
  O      -9.479686     -3.579068      7.994479
  C      -7.518310     -4.861389      8.261299
  O      -6.502042     -4.420822      8.705497
  Cl     -8.101992     -6.520459      8.619867
  C      -9.149268     -3.245141      5.143806
  C      -8.887108     -3.148962      3.789099
  C      -7.764799     -3.776421      3.207934
  C      -7.620179     -3.562648      1.747175
  O      -8.207492     -2.764528      1.076933
  F      -6.748906     -4.433748      1.142342
  C      -2.704979     -4.829081      6.789230
  C      -1.958020     -3.648628      6.911919
  C      -1.703294     -3.069980      8.154985
  C      -0.924909     -1.815898      8.245905
  O      -0.607730     -1.252349      9.278346
  C      -0.516760     -1.132688      6.925849
  O      -1.126285     -0.279038      6.362384
  Cl      1.103396     -1.704903      6.373328
  C      -2.186162     -3.673542      9.328869
  C      -2.932933     -4.834642      9.230563
  C      -3.213403     -5.421746      7.978237
  C      -4.137577     -6.569018      7.913469
  O      -4.687613     -7.052461      6.962458
  F      -4.383531     -7.102164      9.158418
  H      -0.076361     -3.216128      2.614941
  H      -0.327993      1.083513      2.850114
  H      -2.819584      0.916373      2.760966
  H      -6.450896     -5.162838      6.016125
  H     -10.015434     -2.756246      5.589324
  H      -9.544505     -2.574529      3.136494
  H      -1.578932     -3.197059      5.994523
  H      -1.980357     -3.212817     10.294700
  H      -3.344994     -5.292624     10.127727
  N      -4.269428     -2.923753      4.935917
